A0A3Q0KC16_SCHMA Loading...

Tyrosine 3-monooxygenase

AlphaFold DB , UniProt , Accession A0A3Q0KC16, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 465 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	33.7	Very low	27.4	Very low	243 Å²	243	162.5 Å²	162.5	100%	1.197	85%	0.849	S	S	*	*				0	103.1	0	-137.2	167.9	176.7	0	0	106.7	M3	M1-M3 PolarHBondContact O-N 3.28Å
2	K	26.1	Very low	27.2	Very low	209 Å²	209	165.3 Å²	165.3	91%	0.909	85%	0.854	S	S	*	*			trans	-82.5	103.4	176.6	-111.9	-178.6	176.1	-179.1	0	106.4	T4	K2-T4 PolarHBondContact O-N 3.47Å
3	M	24	Very low	27.4	Very low	170 Å²	170	164.9 Å²	164.9	84%	0.837	85%	0.846	S	S	*	*			trans	-93.3	94.8	179.3	-160.7	157.5	173.6	0	0	107.7	M1 M5	M1-M3 PolarHBondContact O-N 3.28Å; M3-M5 PolarHBondContact O-N 3.36Å
4	T	24.7	Very low	27.4	Very low	123 Å²	123	163.7 Å²	163.7	76%	0.755	84%	0.842	S	S	*	*			trans	-84.4	101.4	171.8	-50.1	0	0	0	0	106.8	K2 M6	K2-T4 PolarHBondContact O-N 3.47Å; T4-M6 PolarHBondContact O-N 3.34Å
5	M	29.3	Very low	27.5	Very low	156 Å²	156	162.5 Å²	162.5	77%	0.768	84%	0.838	S	S	*	*			trans	-75.1	112.3	170.7	-83.5	-174.2	57.9	0	0	108.7	M3	M3-M5 PolarHBondContact O-N 3.36Å
6	M	25	Very low	27.4	Very low	169 Å²	169	164.8 Å²	164.8	83%	0.833	84%	0.84	S	S	*	*			trans	-71.6	121.7	162.1	-74.1	-167.8	155.9	0	0	107.9	T4 D8	T4-M6 PolarHBondContact O-N 3.34Å; M6-D8 PolarHBondContact O-N 3.44Å
7	C	28.1	Very low	27.5	Very low	120 Å²	120	160.4 Å²	160.4	81%	0.811	83%	0.827	S	S	*	*			trans	-78.2	105.5	167.1	-67.7	0	0	0	0	107.3	E9	C7-E9 PolarHBondContact O-N 3.45Å
8	D	27.1	Very low	27.6	Very low	160 Å²	160	157.7 Å²	157.7	86%	0.856	83%	0.825	S	S	*	*			trans	-67.8	126.3	165.9	-85.4	-31.8	0	0	0	109.2	M6	M6-D8 PolarHBondContact O-N 3.44Å
9	E	27.5	Very low	28.1	Very low	180 Å²	180	154.9 Å²	154.9	84%	0.841	82%	0.816	S	S	*	*			trans	-70.1	152.9	168.5	-66.1	177.4	153.2	0	0	110	C7	C7-E9 PolarHBondContact O-N 3.45Å
10	S	26	Very low	29	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	80%	0.8	S	S	*	*			trans	83.9	88.2	167.1	74.6	0	0	0	0	118.4
11	I	29.9	Very low	29.8	Very low	147 Å²	147	152.8 Å²	152.8	75%	0.754	80%	0.802	S	S	*	*			trans	-137.5	96	131.2	-58.8	-175.7	0	0	0	107.2	E13	I11-E13 HydrophobicContact CG2-CB 4.3Å; I11-E13 HydrophobicContact CG2-CG 3.89Å; I11-E13 PolarHBondContact O-N 3.37Å
12	E	25.6	Very low	30.6	Very low	195 Å²	195	142.6 Å²	142.6	91%	0.911	75%	0.752	S	S	*	*			trans	-72.6	97.8	160.6	-74.9	-177.2	154	0	0	108
13	E	29.8	Very low	32	Very low	161 Å²	161	135.5 Å²	135.5	75%	0.752	73%	0.725	S	S	*	*			trans	-116.8	111.8	162	-85.8	-171.5	169.9	0	0	110	I11 N15	I11-E13 HydrophobicContact CG2-CB 4.3Å; I11-E13 HydrophobicContact CG2-CG 3.89Å; I11-E13 PolarHBondContact O-N 3.37Å; E13-N15 VanDerWaalsContact C-N 3.29Å; E13-N15 PolarHBondContact O-N 3.11Å
14	N	26.4	Very low	33.4	Very low	148 Å²	148	132.8 Å²	132.8	79%	0.791	71%	0.709	S	S	*	*			trans	-59.9	82.6	173.4	-84.3	-48.1	0	0	0	111.2
15	N	28.9	Very low	34.7	Very low	145 Å²	145	132.4 Å²	132.4	78%	0.775	70%	0.703	S	S	*	*			trans	-115.2	82.5	155.2	-90.4	-28.8	0	0	0	108	E13 S17	E13-N15 VanDerWaalsContact C-N 3.29Å; E13-N15 PolarHBondContact O-N 3.11Å; N15-S17 PolarHBondContact O-N 3.36Å
16	K	26.3	Very low	35.7	Very low	199 Å²	199	134 Å²	134	87%	0.865	71%	0.709	S	S	*	*			trans	-70	67.4	163.5	-72.7	-174.5	179.3	-179.5	0	109
17	S	30	Very low	36.9	Very low	90 Å²	90	136 Å²	136	63%	0.629	71%	0.713	S	S	*	*			trans	-58.5	131.5	145.9	-179.8	0	0	0	0	105.5	N15 T19	N15-S17 PolarHBondContact O-N 3.36Å; S17-T19 PolarHBondContact O-N 3.31Å; S17-T19 PolarHBondContact O-OG1 3.42Å
18	S	29.1	Very low	38.5	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	70%	0.698	S	S	*	*			trans	-65.8	75.7	179.3	54.3	0	0	0	0	110.1	V20	S18-V20 PolarHBondContact O-N 2.82Å
19	T	36.9	Very low	40.4	Very low	106 Å²	106	128.7 Å²	128.7	65%	0.65	67%	0.673	S	S	*	*			trans	-70.6	109.3	166.6	14.3	0	0	0	0	106.6	S17 E21	S17-T19 PolarHBondContact O-N 3.31Å; S17-T19 PolarHBondContact O-OG1 3.42Å; T19-E21 PolarHBondContact O-N 2.89Å; T19-E21 VanDerWaalsContact O-N 3.14Å
20	V	44.9	Very low	42.7	Very low	84 Å²	84	126.8 Å²	126.8	51%	0.509	66%	0.658	S	S	.	*	P	Polyproline II helix	trans	-56.8	117.8	171.1	179.3	0	0	0	0	107.5	S18 L104	S18-V20 PolarHBondContact O-N 2.82Å; V20-L104 HydrophobicContact CB-CD2 4.14Å; V20-L104 HydrophobicContact CG1-CD1 4.49Å; V20-L104 HydrophobicContact CG1-CD2 4.24Å
21	E	47.4	Very low	45.4	Very low	180 Å²	180	126.1 Å²	126.1	84%	0.841	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-69.2	140.3	179.9	-73.1	-177.8	164.2	0	0	110.9	T19	T19-E21 PolarHBondContact O-N 2.89Å; T19-E21 VanDerWaalsContact O-N 3.14Å
22	L	49.6	Very low	47.8	Very low	29 Å²	29	120.1 Å²	120.1	15%	0.152	61%	0.614	C	S	.	*	P	Polyproline II helix	trans	-70	145.7	175.3	-68.9	164.5	0	0	0	110.4	K65 N101 L104	L22-K65 HydrophobicContact CD1-CB 3.74Å; L22-K65 HydrophobicContact CD1-CD 3.68Å; L22-K65 HydrophobicContact CD1-CG 4.25Å; L22-K65 WeakPolarHBondContact CD1-O 3.09Å; L22-K65 HydrophobicContact CD2-CD 4.47Å; L22-K65 HydrophobicContact CG-CD 4.25Å; L22-N101 WeakPolarHBondContact CB-OD1 3.23Å; L22-N101 HydrophobicContact CD2-CB 3.94Å; L22-N101 WeakPolarHBondContact CD2-OD1 3.21Å; L22-L104 HydrophobicContact CD2-CB 4.33Å; L22-L104 HydrophobicContact CD2-CD1 3.48Å; L22-L104 VanDerWaalsContact CD2-CD1 3.48Å; L22-L104 HydrophobicContact CG-CD1 4.3Å
23	N	56.2	Low	50.6	Low	61 Å²	61	111.7 Å²	111.7	33%	0.326	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-86.5	116.8	170.2	-170.8	-14.1	0	0	0	108.6	N25 N98 I100 N101	N23-N25 PolarHBondContact OD1-N 3.43Å; N23-N25 VanDerWaalsContact OD1-N 3.15Å; N23-N98 PolarHBondContact O-ND2 3.36Å; N23-I100 HydrophobicContact CB-CD1 3.87Å; N23-I100 HydrophobicContact CB-CG2 4.47Å; N23-N101 PolarHBondContact N-OD1 3.28Å; N23-N101 PolarHBondContact O-ND2 3.11Å; N23-N101 PolarHBondContact O-OD1 3.07Å
24	H	53.8	Low	53.3	Low	112 Å²	112	104 Å²	104	52%	0.519	54%	0.54	S	S	.	.			trans	-100	17	-178.4	-69.8	-66.3	0	0	0	113.9	E26	H24-E26 PolarHBondContact O-N 3.2Å
25	N	52	Low	56.1	Low	116 Å²	116	98 Å²	98	62%	0.62	51%	0.508	S	S	*	.			trans	-60.9	106.5	171.5	-88.2	-16.7	0	0	0	110.7	N23 K27	N23-N25 PolarHBondContact OD1-N 3.43Å; N23-N25 VanDerWaalsContact OD1-N 3.15Å; N25-K27 PolarHBondContact O-N 2.72Å
26	E	49	Very low	58.9	Low	189 Å²	189	91 Å²	91	88%	0.883	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-62.6	-20.7	-177.2	-71.6	-178.7	160.6	0	0	114	H24 D28	H24-E26 PolarHBondContact O-N 3.2Å; E26-D28 PolarHBondContact O-N 3.44Å
27	K	51.1	Low	61.7	Low	211 Å²	211	82.7 Å²	82.7	92%	0.917	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-74.8	-2.7	-173.4	-72.7	-169.9	176.7	-177.5	0	115.7	N25	N25-K27 PolarHBondContact O-N 2.72Å
28	D	61.4	Low	64.2	Low	94 Å²	94	78.7 Å²	78.7	50%	0.503	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-127.6	21	-174.5	-157.3	20	0	0	0	113.1	E26 R30 N98	E26-D28 PolarHBondContact O-N 3.44Å; D28-R30 PolarHBondContact O-N 2.88Å; D28-N98 HydrophobicContact CB-CB 4.49Å
29	G	66.4	Low	66.4	Low	33 Å²	33	78.2 Å²	78.2	34%	0.34	39%	0.392	S	S	.	.			trans	-67.1	119.3	175.2	0	0	0	0	0	111.2
30	R	76.4	Confident	67.8	Low	139 Å²	139	75.2 Å²	75.2	53%	0.525	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.5	169.1	-63	-178.6	-174	175.3	2.1	109.3	D28 H32 E96 A97 E99	D28-R30 PolarHBondContact O-N 2.88Å; R30-H32 PolarHBondContact O-CE1 3.02Å; R30-H32 PolarHBondContact O-ND1 3.2Å; R30-E96 WeakPolarHBondContact O-CA 3.35Å; R30-A97 PolarHBondContact N-O 2.93Å; R30-A97 PolarHBondContact O-N 2.9Å; R30-E99 IonicContact NH1-OE1 2.93Å
31	I	81.4	Confident	68.6	Low	97 Å²	97	73.6 Å²	73.6	50%	0.497	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.8	170.9	-59.7	179.4	0	0	0	107.8	T94 L95 N122	I31-T94 HydrophobicContact CG2-CG2 3.33Å; I31-L95 CarbonylContact C-O 3.51Å; I31-L95 WeakPolarHBondContact CA-O 3.25Å; I31-N122 PolarHBondContact O-ND2 3.05Å
32	H	81.7	Confident	69.2	Low	22 Å²	22	70.8 Å²	70.8	10%	0.102	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	121.8	177.8	-64.3	87.5	0	0	0	109.4	R30 T94 L95 A97 M102 L120 N122	R30-H32 PolarHBondContact O-CE1 3.02Å; R30-H32 PolarHBondContact O-ND1 3.2Å; H32-T94 CarbonylContact O-C 3.51Å; H32-T94 VanDerWaalsContact O-CA 3.23Å; H32-T94 WeakPolarHBondContact O-CA 3.41Å; H32-L95 PolarHBondContact N-O 2.79Å; H32-L95 PolarHBondContact O-N 2.96Å; H32-A97 PolarHBondContact CE1-O 3.27Å; H32-A97 PolarHBondContact ND1-O 3.25Å; H32-M102 HydrophobicContact CB-CE 3.57Å; H32-M102 HydrophobicContact CB-CG 4.18Å; H32-M102 HydrophobicContact CB-SD 3.67Å; H32-M102 WeakPolarHBondContact ND1-CG 3.47Å; H32-L120 HydrophobicContact CB-CD1 4.41Å; H32-N122 VanDerWaalsContact CA-ND2 3.26Å; H32-N122 WeakPolarHBondContact CA-ND2 3.21Å; H32-N122 PolarHBondContact N-ND2 2.85Å
33	S	84.2	Confident	69.5	Low	17 Å²	17	76 Å²	76	12%	0.119	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.4	173.7	-66.2	0	0	0	0	109.9	I93 T94 L120 L121 N122	S33-I93 CarbonylContact C-O 3.47Å; S33-I93 WeakPolarHBondContact CA-O 3.11Å; S33-T94 VanDerWaalsContact OG-CG2 3.32Å; S33-T94 WeakPolarHBondContact OG-CG2 3.38Å; S33-T94 PolarHBondContact OG-OG1 3.32Å; S33-L120 WeakPolarHBondContact O-CD1 3.42Å; S33-L121 WeakPolarHBondContact O-CB 3.03Å; S33-L121 PolarHBondContact O-N 3.39Å; S33-N122 WeakPolarHBondContact CB-OD1 3.43Å; S33-N122 VanDerWaalsContact N-CG 3.3Å; S33-N122 PolarHBondContact N-ND2 2.78Å; S33-N122 PolarHBondContact N-OD1 2.91Å
34	I	85.8	Confident	69.4	Low	0 Å²	0	80.3 Å²	80.3	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.1	178.7	57.2	175.9	0	0	0	110.4	I36 L92 I93 M102 L105 Y106 L109 I118 N119 L120	I34-I36 HydrophobicContact CD1-CD1 4.19Å; I34-I36 HydrophobicContact CD1-CG1 4.32Å; I34-L92 CarbonylContact O-C 3.47Å; I34-L92 WeakPolarHBondContact O-CA 3.34Å; I34-L92 WeakPolarHBondContact O-CD1 3.24Å; I34-I93 HydrophobicContact CD1-CB 4.28Å; I34-I93 HydrophobicContact CG1-CB 3.83Å; I34-I93 WeakPolarHBondContact CG1-O 3.49Å; I34-I93 PolarHBondContact N-O 2.94Å; I34-I93 PolarHBondContact O-N 3.25Å; I34-M102 HydrophobicContact CG2-CE 4.07Å; I34-L105 HydrophobicContact CD1-CD2 3.98Å; I34-Y106 HydrophobicContact CG2-CE1 4.17Å; I34-Y106 WeakPolarHBondContact CG2-OH 3.43Å; I34-L109 HydrophobicContact CD1-CD1 3.84Å; I34-I118 HydrophobicContact CB-CG2 4.21Å; I34-N119 CarbonylContact C-O 3.43Å; I34-N119 WeakPolarHBondContact CA-O 3.49Å; I34-L120 HydrophobicContact CG2-CD1 3.72Å
35	I	85.7	Confident	69.3	Low	21 Å²	21	84.1 Å²	84.1	11%	0.108	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	121.8	166.5	-60.4	167.3	0	0	0	107.4	R75 C91 L92 I118 N119 L121	I35-R75 VanDerWaalsContact CD1-NH1 3.25Å; I35-C91 CarbonylContact C-O 3.15Å; I35-C91 WeakPolarHBondContact CA-O 3.47Å; I35-L92 HydrophobicContact CG1-CD1 4.26Å; I35-I118 CarbonylContact O-C 3.58Å; I35-I118 WeakPolarHBondContact O-CA 3.45Å; I35-N119 HydrophobicContact CB-CB 4.27Å; I35-N119 PolarHBondContact N-O 3.24Å; I35-N119 PolarHBondContact O-N 2.78Å; I35-L121 HydrophobicContact CD1-CD1 3.92Å; I35-L121 HydrophobicContact CD1-CD2 3.84Å; I35-L121 HydrophobicContact CD1-CG 3.94Å; I35-L121 HydrophobicContact CG1-CD1 3.78Å; I35-L121 HydrophobicContact CG1-CG 4.06Å
36	I	87.6	Confident	69.8	Low	0 Å²	0	80.2 Å²	80.2	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121	173.3	-56.3	173.9	0	0	0	107.3	I34 F38 I58 S90 C91 I93 L109 I115 I118	I34-I36 HydrophobicContact CD1-CD1 4.19Å; I34-I36 HydrophobicContact CD1-CG1 4.32Å; I36-F38 HydrophobicContact CB-CE2 4.33Å; I36-F38 HydrophobicContact CB-CZ 4.21Å; I36-F38 HydrophobicContact CG2-CE1 3.97Å; I36-F38 HydrophobicContact CG2-CE2 4.02Å; I36-F38 HydrophobicContact CG2-CZ 3.63Å; I36-F38 WeakPolarHBondContact O-CE2 3.25Å; I36-I58 HydrophobicContact CD1-CD1 3.91Å; I36-I58 HydrophobicContact CD1-CG2 4.23Å; I36-I58 HydrophobicContact CG2-CD1 4.42Å; I36-S90 CarbonylContact O-C 3.6Å; I36-S90 WeakPolarHBondContact O-CA 3.36Å; I36-S90 VanDerWaalsContact O-CB 3.29Å; I36-S90 WeakPolarHBondContact O-CB 3.37Å; I36-C91 PolarHBondContact N-O 3.21Å; I36-C91 PolarHBondContact O-N 3.39Å; I36-I93 HydrophobicContact CD1-CD1 3.57Å; I36-I93 HydrophobicContact CD1-CG1 4.23Å; I36-L109 HydrophobicContact CD1-CD1 3.76Å; I36-L109 HydrophobicContact CD1-CD2 3.99Å; I36-L109 HydrophobicContact CG1-CD1 4.35Å; I36-I115 HydrophobicContact CG2-CB 4.39Å; I36-I115 HydrophobicContact CG2-CD1 3.65Å; I36-I115 HydrophobicContact CG2-CG1 3.74Å; I36-I115 HydrophobicContact CG2-CG2 3.85Å; I36-I118 HydrophobicContact CG1-CG2 4.29Å
37	N	84.6	Confident	70.5	Confident	23 Å²	23	71.6 Å²	71.6	12%	0.123	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.4	174.4	-59.3	-49.4	0	0	0	108.8	S90 I115 S116 G117 N119	N37-S90 WeakPolarHBondContact OD1-CB 3.41Å; N37-I115 CarbonylContact O-C 3.09Å; N37-S116 VanDerWaalsContact C-OG 3.22Å; N37-S116 WeakPolarHBondContact CB-OG 3.05Å; N37-S116 PolarHBondContact O-N 2.92Å; N37-S116 PolarHBondContact O-OG 3.5Å; N37-S116 VanDerWaalsContact O-OG 3.11Å; N37-G117 PolarHBondContact N-O 2.67Å; N37-G117 PolarHBondContact O-N 3.46Å; N37-N119 PolarHBondContact ND2-ND2 3.03Å
38	F	83.3	Confident	71.4	Confident	7 Å²	7	65.5 Å²	65.5	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	157.3	-179.6	-59	-87.9	0	0	0	110.5	I36 Y51 T54 L55 I58 Q88 Y89 C91 F114 I115 S116	I36-F38 HydrophobicContact CB-CE2 4.33Å; I36-F38 HydrophobicContact CB-CZ 4.21Å; I36-F38 HydrophobicContact CG2-CE1 3.97Å; I36-F38 HydrophobicContact CG2-CE2 4.02Å; I36-F38 HydrophobicContact CG2-CZ 3.63Å; I36-F38 WeakPolarHBondContact O-CE2 3.25Å; F38-Y51 HydrophobicContact CD1-CD2 4.49Å; F38-Y51 AromaticContact CD2-CD2 3.67Å; F38-Y51 HydrophobicContact CD2-CD2 3.67Å; F38-Y51 AromaticContact CD2-CE2 3.5Å; F38-Y51 HydrophobicContact CD2-CE2 3.5Å; F38-Y51 VanDerWaalsContact CD2-CE2 3.5Å; F38-Y51 AromaticContact CE2-CD2 3.89Å; F38-Y51 HydrophobicContact CE2-CD2 3.89Å; F38-Y51 AromaticContact CE2-CE2 3.4Å; F38-Y51 HydrophobicContact CE2-CE2 3.4Å; F38-Y51 HydrophobicContact CG-CD2 4.01Å; F38-Y51 HydrophobicContact CG-CE2 4.3Å; F38-Y51 HydrophobicContact CZ-CD2 4.36Å; F38-Y51 HydrophobicContact CZ-CE2 4.1Å; F38-T54 HydrophobicContact CD1-CG2 3.92Å; F38-T54 HydrophobicContact CE1-CG2 3.52Å; F38-L55 HydrophobicContact CE2-CD2 4.27Å; F38-L55 HydrophobicContact CZ-CD2 3.76Å; F38-I58 HydrophobicContact CE1-CD1 3.89Å; F38-I58 HydrophobicContact CZ-CD1 3.84Å; F38-Q88 WeakPolarHBondContact O-CG 3.5Å; F38-Y89 WeakPolarHBondContact CD2-O 3.5Å; F38-Y89 PolarHBondContact N-O 2.93Å; F38-Y89 VanDerWaalsContact N-O 3.07Å; F38-C91 HydrophobicContact CE2-CB 4.39Å; F38-F114 CarbonylContact C-O 3.56Å; F38-F114 VanDerWaalsContact CA-O 3.32Å; F38-F114 WeakPolarHBondContact CA-O 3.46Å; F38-I115 HydrophobicContact CD1-CG1 4.29Å; F38-I115 HydrophobicContact CE1-CG1 4.12Å; F38-S116 PolarHBondContact N-OG 3.37Å; F38-S116 PolarHBondContact O-OG 2.96Å
39	H	74.1	Confident	72.1	Confident	101 Å²	101	68 Å²	68	47%	0.468	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-67.1	140.9	172.1	-81.2	-69.9	0	0	0	110.6	I41 F114	H39-I41 PolarHBondContact O-N 3.4Å; H39-F114 PolarHBondContact N-O 3.23Å
40	P	67.2	Low	72.7	Confident	43 Å²	43	70 Å²	70	28%	0.279	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.4	126.5	167.6	28.1	-31.2	0	0	0	108.9	D86	P40-D86 HydrophobicContact CB-CB 3.63Å; P40-D86 HydrophobicContact CG-CB 3.89Å
41	I	61.5	Low	72.9	Confident	50 Å²	50	64.1 Å²	64.1	26%	0.256	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-98.9	139.1	171.5	-62.4	168	0	0	0	107.2	H39 H43 N47 F50	H39-I41 PolarHBondContact O-N 3.4Å; I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 2.98Å; I41-N47 VanDerWaalsContact C-OD1 3.23Å; I41-N47 WeakPolarHBondContact CB-OD1 3.26Å; I41-N47 VanDerWaalsContact CG2-OD1 3.23Å; I41-N47 WeakPolarHBondContact CG2-OD1 3.35Å; I41-N47 PolarHBondContact O-ND2 3.23Å; I41-N47 PolarHBondContact O-OD1 3.04Å; I41-F50 HydrophobicContact CD1-CB 3.6Å; I41-F50 HydrophobicContact CD1-CD2 3.61Å; I41-F50 HydrophobicContact CD1-CE2 4.5Å; I41-F50 HydrophobicContact CD1-CG 3.77Å
42	T	59.5	Low	73	Confident	122 Å²	122	64.1 Å²	64.1	75%	0.748	32%	0.322	S	S	*	.	S	Bend	trans	-76.6	-7	-168.4	47.2	0	0	0	0	114.5
43	H	56.2	Low	73.1	Confident	137 Å²	137	67.4 Å²	67.4	63%	0.634	34%	0.338	S	S	*	.			trans	-116.5	101.9	-176.9	-84	-78.7	0	0	0	111.3	I41 Q45 S46 N47	I41-H43 VanDerWaalsContact C-N 3.26Å; I41-H43 PolarHBondContact O-N 2.98Å; H43-Q45 VanDerWaalsContact C-N 3.28Å; H43-Q45 PolarHBondContact O-N 3.38Å; H43-S46 WeakPolarHBondContact CB-OG 3.38Å; H43-S46 PolarHBondContact O-N 2.93Å; H43-S46 PolarHBondContact O-OG 3.22Å; H43-N47 PolarHBondContact O-N 2.86Å; H43-N47 PolarHBondContact O-OD1 3.43Å
44	E	54	Low	73.2	Confident	153 Å²	153	66.7 Å²	66.7	72%	0.715	33%	0.333	S	S	*	.	H	α-helix	trans	-46.6	-41.2	-174.3	-75.9	-178.3	159.1	0	0	115	S46 N47	E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 2.73Å; E44-N47 PolarHBondContact O-N 2.71Å
45	Q	52.1	Low	73.3	Confident	191 Å²	191	67.3 Å²	67.3	89%	0.893	34%	0.336	S	S	*	.	H	α-helix	trans	-69.1	-29.1	-179.7	-74.6	-175.4	-9.2	0	0	113.3	H43	H43-Q45 VanDerWaalsContact C-N 3.28Å; H43-Q45 PolarHBondContact O-N 3.38Å
46	S	61.9	Low	73.5	Confident	34 Å²	34	72.5 Å²	72.5	24%	0.238	36%	0.36	C	S	.	.	H	α-helix	trans	-84.8	-24.3	177.3	53.1	0	0	0	0	113.6	H43 E44 N48 Q49 F50	H43-S46 WeakPolarHBondContact CB-OG 3.38Å; H43-S46 PolarHBondContact O-N 2.93Å; H43-S46 PolarHBondContact O-OG 3.22Å; E44-S46 VanDerWaalsContact C-N 3.33Å; E44-S46 PolarHBondContact O-N 2.73Å; S46-N48 PolarHBondContact O-N 3.15Å; S46-Q49 PolarHBondContact O-N 3.15Å; S46-F50 WeakPolarHBondContact O-CD2 3.5Å; S46-F50 PolarHBondContact O-N 3.42Å; S46-F50 VanDerWaalsContact O-N 3.11Å
47	N	64.4	Low	73.5	Confident	9 Å²	9	76.3 Å²	76.3	5%	0.048	38%	0.377	C	S	.	.	H	α-helix	trans	-59.9	-46.1	-171.7	-69.8	7.5	0	0	0	113.4	I41 H43 E44 Y51 Y89	I41-N47 VanDerWaalsContact C-OD1 3.23Å; I41-N47 WeakPolarHBondContact CB-OD1 3.26Å; I41-N47 VanDerWaalsContact CG2-OD1 3.23Å; I41-N47 WeakPolarHBondContact CG2-OD1 3.35Å; I41-N47 PolarHBondContact O-ND2 3.23Å; I41-N47 PolarHBondContact O-OD1 3.04Å; H43-N47 PolarHBondContact O-N 2.86Å; H43-N47 PolarHBondContact O-OD1 3.43Å; E44-N47 PolarHBondContact O-N 2.71Å; N47-Y51 WeakPolarHBondContact O-CB 3.46Å; N47-Y51 PolarHBondContact O-N 2.97Å; N47-Y89 HydrophobicContact CB-CE2 4.05Å
48	N	70.6	Confident	73.7	Confident	83 Å²	83	75.3 Å²	75.3	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-69	-38.7	-177.1	-166.5	11	0	0	0	111.8	S46 Y51 I52	S46-N48 PolarHBondContact O-N 3.15Å; N48-Y51 PolarHBondContact O-N 3.46Å; N48-I52 WeakPolarHBondContact O-CB 3.39Å; N48-I52 VanDerWaalsContact O-CG1 3.24Å; N48-I52 WeakPolarHBondContact O-CG1 3.25Å; N48-I52 PolarHBondContact O-N 3.34Å
49	Q	76.1	Confident	74	Confident	146 Å²	146	77.5 Å²	77.5	68%	0.682	38%	0.384	S	S	*	.	H	α-helix	trans	-66.6	-41.8	179.2	-171.9	172	-12.1	0	0	111.7	S46 I52 Q53	S46-Q49 PolarHBondContact O-N 3.15Å; Q49-I52 PolarHBondContact O-N 3.08Å; Q49-Q53 WeakPolarHBondContact O-CB 3.42Å; Q49-Q53 PolarHBondContact O-N 3.43Å
50	F	78.2	Confident	74.7	Confident	74 Å²	74	78.2 Å²	78.2	33%	0.325	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-39.8	174.8	-76	-62.2	0	0	0	112.6	I41 S46 Q53 T54 F114	I41-F50 HydrophobicContact CD1-CB 3.6Å; I41-F50 HydrophobicContact CD1-CD2 3.61Å; I41-F50 HydrophobicContact CD1-CE2 4.5Å; I41-F50 HydrophobicContact CD1-CG 3.77Å; S46-F50 WeakPolarHBondContact O-CD2 3.5Å; S46-F50 PolarHBondContact O-N 3.42Å; S46-F50 VanDerWaalsContact O-N 3.11Å; F50-Q53 PolarHBondContact O-N 3.32Å; F50-T54 PolarHBondContact O-N 3.27Å; F50-T54 PolarHBondContact O-OG1 2.96Å; F50-F114 HydrophobicContact CD1-CE1 4.22Å; F50-F114 HydrophobicContact CD1-CZ 4.43Å
51	Y	80	Confident	75.6	Confident	17 Å²	17	77.3 Å²	77.3	7%	0.067	38%	0.377	C	S	.	.	H	α-helix	trans	-57.9	-50.5	172.8	175.2	-112.2	0	0	0	111.1	F38 N47 N48 Q53 T54 L55 T74 Y89 S90	F38-Y51 HydrophobicContact CD1-CD2 4.49Å; F38-Y51 AromaticContact CD2-CD2 3.67Å; F38-Y51 HydrophobicContact CD2-CD2 3.67Å; F38-Y51 AromaticContact CD2-CE2 3.5Å; F38-Y51 HydrophobicContact CD2-CE2 3.5Å; F38-Y51 VanDerWaalsContact CD2-CE2 3.5Å; F38-Y51 AromaticContact CE2-CD2 3.89Å; F38-Y51 HydrophobicContact CE2-CD2 3.89Å; F38-Y51 AromaticContact CE2-CE2 3.4Å; F38-Y51 HydrophobicContact CE2-CE2 3.4Å; F38-Y51 HydrophobicContact CG-CD2 4.01Å; F38-Y51 HydrophobicContact CG-CE2 4.3Å; F38-Y51 HydrophobicContact CZ-CD2 4.36Å; F38-Y51 HydrophobicContact CZ-CE2 4.1Å; N47-Y51 WeakPolarHBondContact O-CB 3.46Å; N47-Y51 PolarHBondContact O-N 2.97Å; N48-Y51 PolarHBondContact O-N 3.46Å; Y51-Q53 VanDerWaalsContact C-N 3.33Å; Y51-Q53 PolarHBondContact O-N 3.18Å; Y51-T54 PolarHBondContact O-N 3.23Å; Y51-L55 HydrophobicContact CD1-CD1 3.98Å; Y51-L55 HydrophobicContact CD2-CG 4.4Å; Y51-L55 HydrophobicContact CE1-CD1 3.45Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.45Å; Y51-L55 HydrophobicContact CE1-CG 4.25Å; Y51-L55 HydrophobicContact CE2-CD1 4.13Å; Y51-L55 HydrophobicContact CE2-CD2 4.12Å; Y51-L55 HydrophobicContact CE2-CG 4.13Å; Y51-L55 WeakPolarHBondContact O-CG 3.45Å; Y51-L55 PolarHBondContact O-N 3.4Å; Y51-T74 HydrophobicContact CE1-CG2 4.21Å; Y51-T74 VanDerWaalsContact OH-CB 3.3Å; Y51-T74 WeakPolarHBondContact OH-CB 3.32Å; Y51-T74 WeakPolarHBondContact OH-CG2 3.34Å; Y51-Y89 HydrophobicContact CD1-CD1 4.16Å; Y51-Y89 HydrophobicContact CD1-CG 4.49Å; Y51-Y89 VanDerWaalsContact CD2-CB 3.5Å; Y51-Y89 HydrophobicContact CD2-CD1 4.41Å; Y51-Y89 HydrophobicContact CD2-CG 4.01Å; Y51-Y89 HydrophobicContact CE1-CD1 4.26Å; Y51-Y89 HydrophobicContact CE2-CD1 4.48Å; Y51-Y89 HydrophobicContact CE2-CG 4.28Å; Y51-Y89 HydrophobicContact CG-CD1 4.23Å; Y51-Y89 HydrophobicContact CG-CG 4.09Å; Y51-S90 PolarHBondContact OH-O 2.81Å
52	I	83.6	Confident	76.9	Confident	96 Å²	96	75.1 Å²	75.1	49%	0.492	37%	0.366	S	S	.	.	H	α-helix	trans	-60.6	-41.5	177.6	-68	166.5	0	0	0	111.6	N48 Q49 L55 H56	N48-I52 WeakPolarHBondContact O-CB 3.39Å; N48-I52 VanDerWaalsContact O-CG1 3.24Å; N48-I52 WeakPolarHBondContact O-CG1 3.25Å; N48-I52 PolarHBondContact O-N 3.34Å; Q49-I52 PolarHBondContact O-N 3.08Å; I52-L55 PolarHBondContact O-N 3.22Å; I52-H56 PolarHBondContact O-N 3.49Å
53	Q	84.5	Confident	78.1	Confident	91 Å²	91	75.1 Å²	75.1	43%	0.425	36%	0.36	S	S	.	.	H	α-helix	trans	-63.1	-43.8	177.5	-176.9	174	-8.6	0	0	111.7	Q49 F50 Y51 H56 E57	Q49-Q53 WeakPolarHBondContact O-CB 3.42Å; Q49-Q53 PolarHBondContact O-N 3.43Å; F50-Q53 PolarHBondContact O-N 3.32Å; Y51-Q53 VanDerWaalsContact C-N 3.33Å; Y51-Q53 PolarHBondContact O-N 3.18Å; Q53-H56 WeakPolarHBondContact O-CB 3.43Å; Q53-H56 PolarHBondContact O-N 3.06Å; Q53-E57 PolarHBondContact O-N 3.44Å
54	T	85.5	Confident	79.5	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.012	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-40.9	178.1	-45.1	0	0	0	0	110.9	F38 F50 Y51 H56 E57 I58 F114 I115	F38-T54 HydrophobicContact CD1-CG2 3.92Å; F38-T54 HydrophobicContact CE1-CG2 3.52Å; F50-T54 PolarHBondContact O-N 3.27Å; F50-T54 PolarHBondContact O-OG1 2.96Å; Y51-T54 PolarHBondContact O-N 3.23Å; T54-H56 VanDerWaalsContact C-N 3.28Å; T54-H56 PolarHBondContact O-N 2.99Å; T54-E57 PolarHBondContact O-N 3.39Å; T54-I58 HydrophobicContact CG2-CD1 4.24Å; T54-I58 VanDerWaalsContact O-CG1 3.25Å; T54-I58 WeakPolarHBondContact O-CG1 3.48Å; T54-I58 PolarHBondContact O-N 3.37Å; T54-F114 HydrophobicContact CG2-CB 3.93Å; T54-I115 HydrophobicContact CG2-CG1 4.45Å
55	L	89	Confident	80.7	Confident	14 Å²	14	68.7 Å²	68.7	7%	0.073	33%	0.333	C	S	.	.	H	α-helix	trans	-59.6	-39.7	173.2	-69.7	-176	0	0	0	112.2	F38 Y51 I52 I58 L59 F72 T74 C91	F38-L55 HydrophobicContact CE2-CD2 4.27Å; F38-L55 HydrophobicContact CZ-CD2 3.76Å; Y51-L55 HydrophobicContact CD1-CD1 3.98Å; Y51-L55 HydrophobicContact CD2-CG 4.4Å; Y51-L55 HydrophobicContact CE1-CD1 3.45Å; Y51-L55 VanDerWaalsContact CE1-CD1 3.45Å; Y51-L55 HydrophobicContact CE1-CG 4.25Å; Y51-L55 HydrophobicContact CE2-CD1 4.13Å; Y51-L55 HydrophobicContact CE2-CD2 4.12Å; Y51-L55 HydrophobicContact CE2-CG 4.13Å; Y51-L55 WeakPolarHBondContact O-CG 3.45Å; Y51-L55 PolarHBondContact O-N 3.4Å; I52-L55 PolarHBondContact O-N 3.22Å; L55-I58 HydrophobicContact CD2-CD1 4.45Å; L55-I58 PolarHBondContact O-N 2.94Å; L55-L59 WeakPolarHBondContact O-CB 3.41Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 2.89Å; L55-F72 HydrophobicContact CD1-CZ 4.1Å; L55-F72 HydrophobicContact CD2-CE2 4.31Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CZ 4.37Å; L55-T74 HydrophobicContact CD1-CG2 3.76Å; L55-C91 HydrophobicContact CD2-CB 3.95Å
56	H	89.4	Confident	82.2	Confident	129 Å²	129	67.8 Å²	67.8	60%	0.597	33%	0.326	S	S	*	.	H	α-helix	trans	-62.8	-44.8	175.4	-178.1	-172.5	0	0	0	111.1	I52 Q53 T54 I58 L59 K60	I52-H56 PolarHBondContact O-N 3.49Å; Q53-H56 WeakPolarHBondContact O-CB 3.43Å; Q53-H56 PolarHBondContact O-N 3.06Å; T54-H56 VanDerWaalsContact C-N 3.28Å; T54-H56 PolarHBondContact O-N 2.99Å; H56-I58 VanDerWaalsContact C-N 3.35Å; H56-I58 PolarHBondContact O-N 2.79Å; H56-L59 PolarHBondContact O-N 3.38Å; H56-K60 VanDerWaalsContact O-CB 3.25Å; H56-K60 WeakPolarHBondContact O-CB 3.36Å; H56-K60 PolarHBondContact O-N 2.91Å
57	E	88.4	Confident	83.4	Confident	80 Å²	80	66.9 Å²	66.9	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-59.3	-44.3	175.6	-71	173.5	-177.3	0	0	112.1	Q53 T54 K60 Y61 N112	Q53-E57 PolarHBondContact O-N 3.44Å; T54-E57 PolarHBondContact O-N 3.39Å; E57-K60 PolarHBondContact O-N 2.84Å; E57-Y61 PolarHBondContact O-N 3.28Å; E57-N112 PolarHBondContact OE2-ND2 3.49Å
58	I	88.5	Confident	84.5	Confident	3 Å²	3	70.4 Å²	70.4	2%	0.015	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-48.7	177.8	-64.3	163.6	0	0	0	111.1	I36 F38 T54 L55 H56 K60 Y61 I62 I93 L109 I115	I36-I58 HydrophobicContact CD1-CD1 3.91Å; I36-I58 HydrophobicContact CD1-CG2 4.23Å; I36-I58 HydrophobicContact CG2-CD1 4.42Å; F38-I58 HydrophobicContact CE1-CD1 3.89Å; F38-I58 HydrophobicContact CZ-CD1 3.84Å; T54-I58 HydrophobicContact CG2-CD1 4.24Å; T54-I58 VanDerWaalsContact O-CG1 3.25Å; T54-I58 WeakPolarHBondContact O-CG1 3.48Å; T54-I58 PolarHBondContact O-N 3.37Å; L55-I58 HydrophobicContact CD2-CD1 4.45Å; L55-I58 PolarHBondContact O-N 2.94Å; H56-I58 VanDerWaalsContact C-N 3.35Å; H56-I58 PolarHBondContact O-N 2.79Å; I58-K60 VanDerWaalsContact C-N 3.34Å; I58-K60 PolarHBondContact O-N 3.4Å; I58-Y61 WeakPolarHBondContact O-CB 3.48Å; I58-Y61 PolarHBondContact O-N 2.82Å; I58-I62 HydrophobicContact CG2-CD1 3.98Å; I58-I62 WeakPolarHBondContact O-CG1 3.3Å; I58-I62 PolarHBondContact O-N 3.41Å; I58-I93 HydrophobicContact CG2-CD1 3.46Å; I58-I93 VanDerWaalsContact CG2-CD1 3.46Å; I58-L109 HydrophobicContact CB-CD2 4.39Å; I58-L109 HydrophobicContact CD1-CD2 4.28Å; I58-L109 HydrophobicContact CG1-CD2 3.69Å; I58-L109 HydrophobicContact CG2-CD2 4.02Å; I58-I115 HydrophobicContact CD1-CD1 4.19Å
59	L	89.8	Confident	85.4	Confident	52 Å²	52	69.6 Å²	69.6	27%	0.272	33%	0.332	S	S	.	.	H	α-helix	trans	-64.8	-39.5	179.1	-73	173.4	0	0	0	111.7	L55 H56 Y61 I62 I63 L69 F72	L55-L59 WeakPolarHBondContact O-CB 3.41Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 2.89Å; H56-L59 PolarHBondContact O-N 3.38Å; L59-Y61 VanDerWaalsContact C-N 3.31Å; L59-Y61 PolarHBondContact O-N 2.75Å; L59-I62 HydrophobicContact CD2-CD1 4.44Å; L59-I62 WeakPolarHBondContact O-CB 3.32Å; L59-I62 PolarHBondContact O-N 2.99Å; L59-I63 VanDerWaalsContact O-CG1 3.26Å; L59-I63 WeakPolarHBondContact O-CG1 3.42Å; L59-I63 PolarHBondContact O-N 3.49Å; L59-L69 HydrophobicContact CD2-CD2 3.93Å; L59-F72 HydrophobicContact CD1-CZ 4.38Å; L59-F72 HydrophobicContact CD2-CD2 3.95Å; L59-F72 HydrophobicContact CD2-CE2 4.01Å; L59-F72 HydrophobicContact CG-CE2 4.28Å
60	K	89.2	Confident	86	Confident	116 Å²	116	66.2 Å²	66.2	50%	0.504	32%	0.322	S	S	.	.	H	α-helix	trans	-60	-43.9	174.9	-174.4	-178.8	176.4	-174.7	0	110.7	H56 E57 I58 I62 I63 D64	H56-K60 VanDerWaalsContact O-CB 3.25Å; H56-K60 WeakPolarHBondContact O-CB 3.36Å; H56-K60 PolarHBondContact O-N 2.91Å; E57-K60 PolarHBondContact O-N 2.84Å; I58-K60 VanDerWaalsContact C-N 3.34Å; I58-K60 PolarHBondContact O-N 3.4Å; K60-I62 PolarHBondContact O-N 2.82Å; K60-I63 PolarHBondContact O-N 2.88Å; K60-D64 WeakPolarHBondContact O-CB 3.43Å; K60-D64 VanDerWaalsContact O-CG 3.23Å; K60-D64 PolarHBondContact O-N 2.93Å
61	Y	85.8	Confident	86.4	Confident	24 Å²	24	66.5 Å²	66.5	9%	0.094	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-44.2	176	-174.7	-94.7	0	0	0	112.4	E57 I58 L59 I63 D64 K65 L104 L105 E108	E57-Y61 PolarHBondContact O-N 3.28Å; I58-Y61 WeakPolarHBondContact O-CB 3.48Å; I58-Y61 PolarHBondContact O-N 2.82Å; L59-Y61 VanDerWaalsContact C-N 3.31Å; L59-Y61 PolarHBondContact O-N 2.75Å; Y61-I63 VanDerWaalsContact C-N 3.27Å; Y61-I63 PolarHBondContact O-N 3.21Å; Y61-D64 PolarHBondContact O-N 2.93Å; Y61-K65 HydrophobicContact CD1-CG 4Å; Y61-K65 HydrophobicContact CD2-CG 4.16Å; Y61-K65 HydrophobicContact CE1-CG 3.66Å; Y61-K65 HydrophobicContact CE2-CD 4.21Å; Y61-K65 HydrophobicContact CE2-CG 3.84Å; Y61-K65 HydrophobicContact CG-CG 4.26Å; Y61-K65 VanDerWaalsContact O-CB 3.25Å; Y61-K65 WeakPolarHBondContact O-CB 3.43Å; Y61-K65 VanDerWaalsContact O-CG 3.27Å; Y61-K65 WeakPolarHBondContact O-CG 3.05Å; Y61-K65 PolarHBondContact O-N 3.26Å; Y61-L104 PolarHBondContact OH-O 2.8Å; Y61-L105 HydrophobicContact CD1-CD1 3.45Å; Y61-L105 VanDerWaalsContact CD1-CD1 3.45Å; Y61-L105 HydrophobicContact CE1-CB 4.16Å; Y61-L105 HydrophobicContact CE1-CD1 3.58Å; Y61-L105 HydrophobicContact CE1-CG 4.49Å; Y61-E108 HydrophobicContact CD1-CB 4.42Å; Y61-E108 HydrophobicContact CD1-CG 4.44Å; Y61-E108 HydrophobicContact CD2-CB 4.14Å; Y61-E108 HydrophobicContact CD2-CG 3.48Å; Y61-E108 VanDerWaalsContact CD2-CG 3.48Å; Y61-E108 HydrophobicContact CE1-CB 3.98Å; Y61-E108 HydrophobicContact CE1-CG 4.36Å; Y61-E108 HydrophobicContact CE2-CB 3.65Å; Y61-E108 VanDerWaalsContact CE2-CD 3.47Å; Y61-E108 HydrophobicContact CE2-CG 3.37Å; Y61-E108 WeakPolarHBondContact CE2-OE2 3.46Å; Y61-E108 HydrophobicContact CG-CB 4.47Å; Y61-E108 HydrophobicContact CG-CG 4Å
62	I	87.5	Confident	87	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-42.9	175.2	-71.2	164.8	0	0	0	110.7	I58 L59 K60 K66 L67 L69 I93 L95 L105	I58-I62 HydrophobicContact CG2-CD1 3.98Å; I58-I62 WeakPolarHBondContact O-CG1 3.3Å; I58-I62 PolarHBondContact O-N 3.41Å; L59-I62 HydrophobicContact CD2-CD1 4.44Å; L59-I62 WeakPolarHBondContact O-CB 3.32Å; L59-I62 PolarHBondContact O-N 2.99Å; K60-I62 PolarHBondContact O-N 2.82Å; I62-K66 PolarHBondContact O-N 3.08Å; I62-L67 HydrophobicContact CG2-CB 4.14Å; I62-L67 PolarHBondContact O-N 2.68Å; I62-L69 HydrophobicContact CD1-CD1 4.43Å; I62-L69 HydrophobicContact CG2-CB 4.18Å; I62-I93 HydrophobicContact CD1-CD1 4.22Å; I62-I93 HydrophobicContact CD1-CG2 4Å; I62-L95 HydrophobicContact CD1-CD2 4.15Å; I62-L95 HydrophobicContact CG1-CD2 4.2Å; I62-L95 HydrophobicContact CG2-CD2 3.96Å; I62-L105 HydrophobicContact CG1-CD1 4.49Å
63	I	86.3	Confident	87.2	Confident	122 Å²	122	67.3 Å²	67.3	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-66.6	-52.3	177.1	-67.9	164.2	0	0	0	111.3	L59 K60 Y61 K65 K66	L59-I63 VanDerWaalsContact O-CG1 3.26Å; L59-I63 WeakPolarHBondContact O-CG1 3.42Å; L59-I63 PolarHBondContact O-N 3.49Å; K60-I63 PolarHBondContact O-N 2.88Å; Y61-I63 VanDerWaalsContact C-N 3.27Å; Y61-I63 PolarHBondContact O-N 3.21Å; I63-K65 PolarHBondContact O-N 3.13Å; I63-K66 PolarHBondContact O-N 2.98Å
64	D	83.8	Confident	87.3	Confident	106 Å²	106	66.7 Å²	66.7	57%	0.567	33%	0.328	S	S	*	.	H	α-helix	trans	-59.7	-34.9	-177.6	-71.7	-13.7	0	0	0	111.4	K60 Y61	K60-D64 WeakPolarHBondContact O-CB 3.43Å; K60-D64 VanDerWaalsContact O-CG 3.23Å; K60-D64 PolarHBondContact O-N 2.93Å; Y61-D64 PolarHBondContact O-N 2.93Å
65	K	81	Confident	87.1	Confident	49 Å²	49	70.3 Å²	70.3	21%	0.213	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.7	177.7	-64.2	-61.3	176.8	-179.3	0	113.9	L22 Y61 I63 L67	L22-K65 HydrophobicContact CD1-CB 3.74Å; L22-K65 HydrophobicContact CD1-CD 3.68Å; L22-K65 HydrophobicContact CD1-CG 4.25Å; L22-K65 WeakPolarHBondContact CD1-O 3.09Å; L22-K65 HydrophobicContact CD2-CD 4.47Å; L22-K65 HydrophobicContact CG-CD 4.25Å; Y61-K65 HydrophobicContact CD1-CG 4Å; Y61-K65 HydrophobicContact CD2-CG 4.16Å; Y61-K65 HydrophobicContact CE1-CG 3.66Å; Y61-K65 HydrophobicContact CE2-CD 4.21Å; Y61-K65 HydrophobicContact CE2-CG 3.84Å; Y61-K65 HydrophobicContact CG-CG 4.26Å; Y61-K65 VanDerWaalsContact O-CB 3.25Å; Y61-K65 WeakPolarHBondContact O-CB 3.43Å; Y61-K65 VanDerWaalsContact O-CG 3.27Å; Y61-K65 WeakPolarHBondContact O-CG 3.05Å; Y61-K65 PolarHBondContact O-N 3.26Å; I63-K65 PolarHBondContact O-N 3.13Å; K65-L67 HydrophobicContact CB-CD1 4.32Å; K65-L67 HydrophobicContact CB-CD2 4.4Å; K65-L67 HydrophobicContact CB-CG 3.89Å; K65-L67 PolarHBondContact O-N 3.28Å
66	K	82.5	Confident	86.1	Confident	172 Å²	172	74.8 Å²	74.8	75%	0.748	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	38.4	-177.9	-56.6	-178.7	179.4	178.2	0	112.9	I62 I63	I62-K66 PolarHBondContact O-N 3.08Å; I63-K66 PolarHBondContact O-N 2.98Å
67	L	86.5	Confident	84.9	Confident	15 Å²	15	71.5 Å²	71.5	8%	0.079	36%	0.36	C	S	.	.			trans	-77.4	138.3	175.6	-57.8	179.1	0	0	0	109.4	I62 K65 L69 L95 A97 N101 L105	I62-L67 HydrophobicContact CG2-CB 4.14Å; I62-L67 PolarHBondContact O-N 2.68Å; K65-L67 HydrophobicContact CB-CD1 4.32Å; K65-L67 HydrophobicContact CB-CD2 4.4Å; K65-L67 HydrophobicContact CB-CG 3.89Å; K65-L67 PolarHBondContact O-N 3.28Å; L67-L69 PolarHBondContact O-N 3.21Å; L67-L95 HydrophobicContact CB-CD2 4.1Å; L67-L95 HydrophobicContact CD1-CD1 4.5Å; L67-A97 HydrophobicContact CD2-CB 4.36Å; L67-N101 HydrophobicContact CD2-CB 3.75Å; L67-L105 HydrophobicContact CD1-CB 4.24Å; L67-L105 HydrophobicContact CD1-CD1 4.35Å; L67-L105 HydrophobicContact CD1-CD2 4.23Å
68	N	87.2	Confident	83.5	Confident	82 Å²	82	72.7 Å²	72.7	44%	0.439	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	108	179.6	-175	22.8	0	0	0	110	V70 L95 E96	N68-V70 PolarHBondContact O-N 3.42Å; N68-L95 CarbonylContact O-C 3.55Å; N68-L95 VanDerWaalsContact O-CA 3.25Å; N68-L95 WeakPolarHBondContact O-CA 3.27Å; N68-E96 HydrophobicContact CB-CB 4.07Å; N68-E96 PolarHBondContact ND2-OE2 3.4Å; N68-E96 PolarHBondContact O-N 3.29Å
69	L	90.4	Very high	81.7	Confident	66 Å²	66	78.6 Å²	78.6	35%	0.346	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	110.7	176.2	-175.9	65.3	0	0	0	110.5	L59 I62 L67 H71 F72 I93 L95	L59-L69 HydrophobicContact CD2-CD2 3.93Å; I62-L69 HydrophobicContact CD1-CD1 4.43Å; I62-L69 HydrophobicContact CG2-CB 4.18Å; L67-L69 PolarHBondContact O-N 3.21Å; L69-H71 WeakPolarHBondContact CD1-O 3.25Å; L69-F72 HydrophobicContact CD1-CB 4.32Å; L69-F72 HydrophobicContact CD2-CB 4.19Å; L69-I93 HydrophobicContact CD1-CG2 3.51Å; L69-L95 HydrophobicContact CB-CD2 4.27Å; L69-L95 HydrophobicContact CD1-CD2 3.84Å
70	V	87.9	Confident	79.8	Confident	76 Å²	76	80.8 Å²	80.8	46%	0.461	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-42.3	-178.6	179.9	0	0	0	0	111.3	N68 T94 E96	N68-V70 PolarHBondContact O-N 3.42Å; V70-T94 HydrophobicContact CB-CG2 4.12Å; V70-T94 HydrophobicContact CG1-CG2 4.39Å; V70-T94 PolarHBondContact N-O 3.49Å; V70-E96 HydrophobicContact CG2-CB 3.87Å
71	H	88.2	Confident	77.6	Confident	79 Å²	79	80.4 Å²	80.4	37%	0.366	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	144.6	-179.8	-176.1	62	0	0	0	110.5	L69 E73 T94	L69-H71 WeakPolarHBondContact CD1-O 3.25Å; H71-E73 IonicContact CE1-OE2 2.67Å; H71-E73 WeakPolarHBondContact NE2-CB 3.32Å; H71-E73 IonicContact NE2-OE2 2.7Å; H71-E73 PolarHBondContact NE2-OE2 3.08Å; H71-T94 PolarHBondContact N-O 3.1Å; H71-T94 VanDerWaalsContact N-O 3.1Å; H71-T94 PolarHBondContact O-N 3.4Å
72	F	92	Very high	75.5	Confident	60 Å²	60	86.3 Å²	86.3	26%	0.263	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	124.3	173.2	-179.5	-88.9	0	0	0	109	L55 L59 L69 T74 L92 I93	L55-F72 HydrophobicContact CD1-CZ 4.1Å; L55-F72 HydrophobicContact CD2-CE2 4.31Å; L55-F72 HydrophobicContact CD2-CZ 3.87Å; L55-F72 HydrophobicContact CG-CZ 4.37Å; L59-F72 HydrophobicContact CD1-CZ 4.38Å; L59-F72 HydrophobicContact CD2-CD2 3.95Å; L59-F72 HydrophobicContact CD2-CE2 4.01Å; L59-F72 HydrophobicContact CG-CE2 4.28Å; L69-F72 HydrophobicContact CD1-CB 4.32Å; L69-F72 HydrophobicContact CD2-CB 4.19Å; F72-T74 HydrophobicContact CE1-CG2 3.88Å; F72-T74 HydrophobicContact CZ-CG2 4.34Å; F72-L92 WeakPolarHBondContact CA-O 3.28Å; F72-I93 HydrophobicContact CD2-CD1 4.07Å; F72-I93 HydrophobicContact CD2-CG1 3.82Å; F72-I93 HydrophobicContact CE2-CD1 3.95Å; F72-I93 HydrophobicContact CE2-CG1 4.02Å
73	E	88.5	Confident	73.8	Confident	71 Å²	71	91.3 Å²	91.3	33%	0.332	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	119.4	-175.8	174.5	-166	136.4	0	0	109.9	H71 R75 C91 L92	H71-E73 IonicContact CE1-OE2 2.67Å; H71-E73 WeakPolarHBondContact NE2-CB 3.32Å; H71-E73 IonicContact NE2-OE2 2.7Å; H71-E73 PolarHBondContact NE2-OE2 3.08Å; E73-R75 HydrophobicContact CG-CG 4.46Å; E73-R75 IonicContact OE1-NE 2.78Å; E73-R75 PolarHBondContact OE1-NE 2.96Å; E73-C91 CarbonylContact O-C 3.46Å; E73-C91 VanDerWaalsContact O-CA 3.25Å; E73-C91 WeakPolarHBondContact O-CA 3.39Å; E73-C91 WeakPolarHBondContact O-CB 3.29Å; E73-L92 HydrophobicContact CB-CB 4.25Å; E73-L92 PolarHBondContact N-O 3.19Å; E73-L92 PolarHBondContact O-N 3.46Å
74	T	86.6	Confident	71.8	Confident	77 Å²	77	90.6 Å²	90.6	47%	0.472	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.9	167.5	56.7	0	0	0	0	109.3	Y51 L55 F72	Y51-T74 HydrophobicContact CE1-CG2 4.21Å; Y51-T74 VanDerWaalsContact OH-CB 3.3Å; Y51-T74 WeakPolarHBondContact OH-CB 3.32Å; Y51-T74 WeakPolarHBondContact OH-CG2 3.34Å; L55-T74 HydrophobicContact CD1-CG2 3.76Å; F72-T74 HydrophobicContact CE1-CG2 3.88Å; F72-T74 HydrophobicContact CZ-CG2 4.34Å
75	R	79.8	Confident	70	Confident	78 Å²	78	96.7 Å²	96.7	29%	0.294	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.4	179	-72.6	-177.8	171.1	-175.9	-0.4	110.8	I35 E73 S90	I35-R75 VanDerWaalsContact CD1-NH1 3.25Å; E73-R75 HydrophobicContact CG-CG 4.46Å; E73-R75 IonicContact OE1-NE 2.78Å; E73-R75 PolarHBondContact OE1-NE 2.96Å; R75-S90 WeakPolarHBondContact CB-OG 3.48Å; R75-S90 PolarHBondContact N-O 2.95Å
76	P	69.2	Low	68.8	Low	109 Å²	109	96.8 Å²	96.8	71%	0.708	52%	0.519	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	163.6	179.4	28.7	-34.4	0	0	0	111.1	L78	P76-L78 PolarHBondContact O-N 2.95Å
77	T	64.2	Low	67.4	Low	60 Å²	60	90.1 Å²	90.1	37%	0.368	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	126.5	-171.9	55.5	0	0	0	0	112.1	T79 V87 Q88 Y89	T77-T79 PolarHBondContact O-N 3.25Å; T77-V87 VanDerWaalsContact CB-CG1 3.47Å; T77-V87 HydrophobicContact CG2-CG1 3.09Å; T77-Q88 WeakPolarHBondContact CA-O 3.47Å; T77-Y89 HydrophobicContact CG2-CD1 3.72Å; T77-Y89 HydrophobicContact CG2-CD2 4.32Å; T77-Y89 HydrophobicContact CG2-CE1 3.37Å; T77-Y89 HydrophobicContact CG2-CE2 4Å; T77-Y89 HydrophobicContact CG2-CG 4.19Å
78	L	57.9	Low	66.6	Low	105 Å²	105	91 Å²	91	55%	0.55	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115	168.7	-67	169.8	0	0	0	108.2	P76 L80 Q88	P76-L78 PolarHBondContact O-N 2.95Å; L78-L80 PolarHBondContact O-N 3.25Å; L78-L80 VanDerWaalsContact O-N 3.13Å; L78-Q88 PolarHBondContact N-O 2.96Å; L78-Q88 VanDerWaalsContact N-O 3.1Å
79	T	51.9	Low	66.3	Low	126 Å²	126	89.6 Å²	89.6	77%	0.773	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	102.4	162.9	18.9	0	0	0	0	107.9	T77 S81	T77-T79 PolarHBondContact O-N 3.25Å; T79-S81 PolarHBondContact O-N 3.46Å
80	L	50.3	Low	66.1	Low	98 Å²	98	86.7 Å²	86.7	51%	0.513	47%	0.471	S	S	.	.			trans	-61.2	118.5	170.3	-76.6	153.4	0	0	0	108.4	L78 N82 Q88	L78-L80 PolarHBondContact O-N 3.25Å; L78-L80 VanDerWaalsContact O-N 3.13Å; L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 2.96Å; L80-Q88 HydrophobicContact CD1-CB 4.43Å
81	S	42.6	Very low	66.1	Low	108 Å²	108	83.1 Å²	83.1	76%	0.755	45%	0.449	S	S	*	.	S	Bend	trans	-68	90.5	173.1	55.7	0	0	0	0	109.3	T79	T79-S81 PolarHBondContact O-N 3.46Å
82	N	40.5	Very low	66.1	Low	148 Å²	148	80 Å²	80	79%	0.791	44%	0.435	S	S	*	.	S	Bend	trans	167	119.3	142.7	-83.5	-22.7	0	0	0	111.2	L80 N84	L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 2.96Å; N82-N84 PolarHBondContact O-N 3.14Å
83	A	51.9	Low	66.1	Low	110 Å²	110	77.2 Å²	77.2	91%	0.909	42%	0.423	S	S	*	.	S	Bend	trans	55.3	-33.2	163.7	0	0	0	0	0	120.7
84	N	44.4	Very low	66.1	Low	108 Å²	108	74.3 Å²	74.3	58%	0.578	41%	0.41	S	S	*	.	S	Bend	trans	-109	125.4	177.5	-72.5	-9.7	0	0	0	109.7	N82 D86	N82-N84 PolarHBondContact O-N 3.14Å; N84-D86 WeakPolarHBondContact CB-OD2 3.25Å; N84-D86 PolarHBondContact O-N 2.76Å
85	R	45.5	Very low	66.2	Low	233 Å²	233	70.7 Å²	70.7	88%	0.879	39%	0.387	S	S	*	.			trans	-73.1	49.2	174.5	-66.8	-178.6	177.9	179.6	-0.6	111.3	V87	R85-V87 PolarHBondContact O-N 3.23Å; R85-V87 VanDerWaalsContact O-N 3.15Å
86	D	55.7	Low	66.5	Low	52 Å²	52	71 Å²	71	28%	0.278	39%	0.392	S	S	.	.			trans	-78.1	102.1	178	-74.2	-28.7	0	0	0	108.5	P40 N84 Q88	P40-D86 HydrophobicContact CB-CB 3.63Å; P40-D86 HydrophobicContact CG-CB 3.89Å; N84-D86 WeakPolarHBondContact CB-OD2 3.25Å; N84-D86 PolarHBondContact O-N 2.76Å; D86-Q88 PolarHBondContact O-N 2.7Å
87	V	54.8	Low	67.2	Low	31 Å²	31	66 Å²	66	19%	0.188	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	104.9	-179.9	177.5	0	0	0	0	108.5	T77 R85 Y89	T77-V87 VanDerWaalsContact CB-CG1 3.47Å; T77-V87 HydrophobicContact CG2-CG1 3.09Å; R85-V87 PolarHBondContact O-N 3.23Å; R85-V87 VanDerWaalsContact O-N 3.15Å; V87-Y89 HydrophobicContact CG1-CD2 4.37Å; V87-Y89 HydrophobicContact CG1-CE2 3.74Å
88	Q	69.5	Low	68	Low	35 Å²	35	63.7 Å²	63.7	16%	0.164	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	118	178.2	-164	174.7	15.9	0	0	110.9	F38 T77 L78 L80 D86 S116	F38-Q88 WeakPolarHBondContact O-CG 3.5Å; T77-Q88 WeakPolarHBondContact CA-O 3.47Å; L78-Q88 PolarHBondContact N-O 2.96Å; L78-Q88 VanDerWaalsContact N-O 3.1Å; L80-Q88 HydrophobicContact CD1-CB 4.43Å; D86-Q88 PolarHBondContact O-N 2.7Å; Q88-S116 PolarHBondContact NE2-OG 2.96Å
89	Y	80.1	Confident	68.7	Low	51 Å²	51	62.9 Å²	62.9	20%	0.2	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	153.4	170.3	-66.1	-92.2	0	0	0	110.4	F38 N47 Y51 T77 V87	F38-Y89 WeakPolarHBondContact CD2-O 3.5Å; F38-Y89 PolarHBondContact N-O 2.93Å; F38-Y89 VanDerWaalsContact N-O 3.07Å; N47-Y89 HydrophobicContact CB-CE2 4.05Å; Y51-Y89 HydrophobicContact CD1-CD1 4.16Å; Y51-Y89 HydrophobicContact CD1-CG 4.49Å; Y51-Y89 VanDerWaalsContact CD2-CB 3.5Å; Y51-Y89 HydrophobicContact CD2-CD1 4.41Å; Y51-Y89 HydrophobicContact CD2-CG 4.01Å; Y51-Y89 HydrophobicContact CE1-CD1 4.26Å; Y51-Y89 HydrophobicContact CE2-CD1 4.48Å; Y51-Y89 HydrophobicContact CE2-CG 4.28Å; Y51-Y89 HydrophobicContact CG-CD1 4.23Å; Y51-Y89 HydrophobicContact CG-CG 4.09Å; T77-Y89 HydrophobicContact CG2-CD1 3.72Å; T77-Y89 HydrophobicContact CG2-CD2 4.32Å; T77-Y89 HydrophobicContact CG2-CE1 3.37Å; T77-Y89 HydrophobicContact CG2-CE2 4Å; T77-Y89 HydrophobicContact CG2-CG 4.19Å; V87-Y89 HydrophobicContact CG1-CD2 4.37Å; V87-Y89 HydrophobicContact CG1-CE2 3.74Å
90	S	86	Confident	69.9	Low	6 Å²	6	60.1 Å²	60.1	4%	0.042	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	162.5	168.4	58.8	0	0	0	0	111.2	I36 N37 Y51 R75	I36-S90 CarbonylContact O-C 3.6Å; I36-S90 WeakPolarHBondContact O-CA 3.36Å; I36-S90 VanDerWaalsContact O-CB 3.29Å; I36-S90 WeakPolarHBondContact O-CB 3.37Å; N37-S90 WeakPolarHBondContact OD1-CB 3.41Å; Y51-S90 PolarHBondContact OH-O 2.81Å; R75-S90 WeakPolarHBondContact CB-OG 3.48Å; R75-S90 PolarHBondContact N-O 2.95Å
91	C	88.9	Confident	71.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146	166.8	66.1	0	0	0	0	110.2	I35 I36 F38 L55 E73	I35-C91 CarbonylContact C-O 3.15Å; I35-C91 WeakPolarHBondContact CA-O 3.47Å; I36-C91 PolarHBondContact N-O 3.21Å; I36-C91 PolarHBondContact O-N 3.39Å; F38-C91 HydrophobicContact CE2-CB 4.39Å; L55-C91 HydrophobicContact CD2-CB 3.95Å; E73-C91 CarbonylContact O-C 3.46Å; E73-C91 VanDerWaalsContact O-CA 3.25Å; E73-C91 WeakPolarHBondContact O-CA 3.39Å; E73-C91 WeakPolarHBondContact O-CB 3.29Å
92	L	88.2	Confident	73.3	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.073	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.2	168.6	168.2	62.3	0	0	0	108.5	I34 I35 F72 E73 L121	I34-L92 CarbonylContact O-C 3.47Å; I34-L92 WeakPolarHBondContact O-CA 3.34Å; I34-L92 WeakPolarHBondContact O-CD1 3.24Å; I35-L92 HydrophobicContact CG1-CD1 4.26Å; F72-L92 WeakPolarHBondContact CA-O 3.28Å; E73-L92 HydrophobicContact CB-CB 4.25Å; E73-L92 PolarHBondContact N-O 3.19Å; E73-L92 PolarHBondContact O-N 3.46Å; L92-L121 HydrophobicContact CD1-CD1 3.43Å; L92-L121 VanDerWaalsContact CD1-CD1 3.43Å
93	I	90.6	Very high	75	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.1	173.5	-49.6	-169.9	0	0	0	107.7	S33 I34 I36 I58 I62 L69 F72 L95	S33-I93 CarbonylContact C-O 3.47Å; S33-I93 WeakPolarHBondContact CA-O 3.11Å; I34-I93 HydrophobicContact CD1-CB 4.28Å; I34-I93 HydrophobicContact CG1-CB 3.83Å; I34-I93 WeakPolarHBondContact CG1-O 3.49Å; I34-I93 PolarHBondContact N-O 2.94Å; I34-I93 PolarHBondContact O-N 3.25Å; I36-I93 HydrophobicContact CD1-CD1 3.57Å; I36-I93 HydrophobicContact CD1-CG1 4.23Å; I58-I93 HydrophobicContact CG2-CD1 3.46Å; I58-I93 VanDerWaalsContact CG2-CD1 3.46Å; I62-I93 HydrophobicContact CD1-CD1 4.22Å; I62-I93 HydrophobicContact CD1-CG2 4Å; L69-I93 HydrophobicContact CD1-CG2 3.51Å; F72-I93 HydrophobicContact CD2-CD1 4.07Å; F72-I93 HydrophobicContact CD2-CG1 3.82Å; F72-I93 HydrophobicContact CE2-CD1 3.95Å; F72-I93 HydrophobicContact CE2-CG1 4.02Å; I93-L95 HydrophobicContact CG2-CD1 4.11Å; I93-L95 HydrophobicContact CG2-CD2 4.21Å; I93-L95 HydrophobicContact CG2-CG 3.88Å
94	T	88.8	Confident	76.4	Confident	11 Å²	11	40.6 Å²	40.6	7%	0.067	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	125.9	170.4	-52.7	0	0	0	0	109.5	I31 H32 S33 V70 H71	I31-T94 HydrophobicContact CG2-CG2 3.33Å; H32-T94 CarbonylContact O-C 3.51Å; H32-T94 VanDerWaalsContact O-CA 3.23Å; H32-T94 WeakPolarHBondContact O-CA 3.41Å; S33-T94 VanDerWaalsContact OG-CG2 3.32Å; S33-T94 WeakPolarHBondContact OG-CG2 3.38Å; S33-T94 PolarHBondContact OG-OG1 3.32Å; V70-T94 HydrophobicContact CB-CG2 4.12Å; V70-T94 HydrophobicContact CG1-CG2 4.39Å; V70-T94 PolarHBondContact N-O 3.49Å; H71-T94 PolarHBondContact N-O 3.1Å; H71-T94 VanDerWaalsContact N-O 3.1Å; H71-T94 PolarHBondContact O-N 3.4Å
95	L	89.6	Confident	78.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.7	-176.5	-65.3	159.5	0	0	0	110.1	I31 H32 I62 L67 N68 L69 I93 M102 L105	I31-L95 CarbonylContact C-O 3.51Å; I31-L95 WeakPolarHBondContact CA-O 3.25Å; H32-L95 PolarHBondContact N-O 2.79Å; H32-L95 PolarHBondContact O-N 2.96Å; I62-L95 HydrophobicContact CD1-CD2 4.15Å; I62-L95 HydrophobicContact CG1-CD2 4.2Å; I62-L95 HydrophobicContact CG2-CD2 3.96Å; L67-L95 HydrophobicContact CB-CD2 4.1Å; L67-L95 HydrophobicContact CD1-CD1 4.5Å; N68-L95 CarbonylContact O-C 3.55Å; N68-L95 VanDerWaalsContact O-CA 3.25Å; N68-L95 WeakPolarHBondContact O-CA 3.27Å; L69-L95 HydrophobicContact CB-CD2 4.27Å; L69-L95 HydrophobicContact CD1-CD2 3.84Å; I93-L95 HydrophobicContact CG2-CD1 4.11Å; I93-L95 HydrophobicContact CG2-CD2 4.21Å; I93-L95 HydrophobicContact CG2-CG 3.88Å; L95-M102 HydrophobicContact CB-SD 4.32Å; L95-M102 HydrophobicContact CD1-SD 4.24Å; L95-L105 HydrophobicContact CD1-CD2 3.12Å
96	E	86.2	Confident	80	Confident	85 Å²	85	26.5 Å²	26.5	40%	0.397	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.2	162.6	-179.3	-177.3	-158.6	0	0	108.3	R30 N68 V70	R30-E96 WeakPolarHBondContact O-CA 3.35Å; N68-E96 HydrophobicContact CB-CB 4.07Å; N68-E96 PolarHBondContact ND2-OE2 3.4Å; N68-E96 PolarHBondContact O-N 3.29Å; V70-E96 HydrophobicContact CG2-CB 3.87Å
97	A	84.4	Confident	81	Confident	5 Å²	5	27.4 Å²	27.4	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	156.2	-175.4	0	0	0	0	0	110.2	R30 H32 L67 N101 M102	R30-A97 PolarHBondContact N-O 2.93Å; R30-A97 PolarHBondContact O-N 2.9Å; H32-A97 PolarHBondContact CE1-O 3.27Å; H32-A97 PolarHBondContact ND1-O 3.25Å; L67-A97 HydrophobicContact CD2-CB 4.36Å; A97-N101 HydrophobicContact CB-CB 4.16Å; A97-M102 HydrophobicContact CB-CG 3.91Å; A97-M102 HydrophobicContact CB-SD 4.02Å
98	N	79.7	Confident	82.3	Confident	11 Å²	11	31.2 Å²	31.2	6%	0.059	15%	0.15	C	C	.	.			trans	-78.6	167	169.2	61.9	40.2	0	0	0	111	N23 D28 I100 N101 M102	N23-N98 PolarHBondContact O-ND2 3.36Å; D28-N98 HydrophobicContact CB-CB 4.49Å; N98-I100 PolarHBondContact O-N 3.27Å; N98-I100 PolarHBondContact OD1-N 3.02Å; N98-N101 PolarHBondContact O-N 3.17Å; N98-N101 WeakPolarHBondContact OD1-CB 3.33Å; N98-N101 PolarHBondContact OD1-N 3.45Å; N98-N101 PolarHBondContact OD1-OD1 2.91Å; N98-M102 PolarHBondContact O-N 2.88Å
99	E	73.6	Confident	83	Confident	88 Å²	88	29.9 Å²	29.9	41%	0.411	14%	0.144	S	C	.	.	H	α-helix	trans	-58.4	-31.5	-177.4	-71.3	-170.5	171.7	0	0	113.6	R30 S103	R30-E99 IonicContact NH1-OE1 2.93Å; E99-S103 WeakPolarHBondContact O-CB 3.45Å; E99-S103 PolarHBondContact O-N 2.96Å; E99-S103 PolarHBondContact O-OG 2.97Å
100	I	76.6	Confident	83	Confident	68 Å²	68	36.2 Å²	36.2	35%	0.349	17%	0.168	S	C	.	.	H	α-helix	trans	-68	-49.9	179.6	-63	170.3	0	0	0	109.8	N23 N98 M102 S103 L104	N23-I100 HydrophobicContact CB-CD1 3.87Å; N23-I100 HydrophobicContact CB-CG2 4.47Å; N98-I100 PolarHBondContact O-N 3.27Å; N98-I100 PolarHBondContact OD1-N 3.02Å; I100-M102 VanDerWaalsContact C-N 3.35Å; I100-M102 PolarHBondContact O-N 2.78Å; I100-S103 WeakPolarHBondContact O-CB 3.34Å; I100-S103 PolarHBondContact O-N 3.25Å; I100-L104 HydrophobicContact CG2-CD1 4.22Å; I100-L104 PolarHBondContact O-N 2.77Å
101	N	82.3	Confident	82.5	Confident	12 Å²	12	39.1 Å²	39.1	6%	0.064	20%	0.199	C	C	.	.	H	α-helix	trans	-66.9	-38.1	-179.2	-66.9	-3.4	0	0	0	111.2	L22 N23 L67 A97 N98 L104 L105	L22-N101 WeakPolarHBondContact CB-OD1 3.23Å; L22-N101 HydrophobicContact CD2-CB 3.94Å; L22-N101 WeakPolarHBondContact CD2-OD1 3.21Å; N23-N101 PolarHBondContact N-OD1 3.28Å; N23-N101 PolarHBondContact O-ND2 3.11Å; N23-N101 PolarHBondContact O-OD1 3.07Å; L67-N101 HydrophobicContact CD2-CB 3.75Å; A97-N101 HydrophobicContact CB-CB 4.16Å; N98-N101 PolarHBondContact O-N 3.17Å; N98-N101 WeakPolarHBondContact OD1-CB 3.33Å; N98-N101 PolarHBondContact OD1-N 3.45Å; N98-N101 PolarHBondContact OD1-OD1 2.91Å; N101-L104 PolarHBondContact O-N 3.1Å; N101-L105 PolarHBondContact O-N 3.47Å
102	M	81.5	Confident	82.1	Confident	5 Å²	5	40.5 Å²	40.5	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-44.5	171.1	-77	-58	-59	0	0	112	H32 I34 L95 A97 N98 I100 L104 L105 Y106	H32-M102 HydrophobicContact CB-CE 3.57Å; H32-M102 HydrophobicContact CB-CG 4.18Å; H32-M102 HydrophobicContact CB-SD 3.67Å; H32-M102 WeakPolarHBondContact ND1-CG 3.47Å; I34-M102 HydrophobicContact CG2-CE 4.07Å; L95-M102 HydrophobicContact CB-SD 4.32Å; L95-M102 HydrophobicContact CD1-SD 4.24Å; A97-M102 HydrophobicContact CB-CG 3.91Å; A97-M102 HydrophobicContact CB-SD 4.02Å; N98-M102 PolarHBondContact O-N 2.88Å; I100-M102 VanDerWaalsContact C-N 3.35Å; I100-M102 PolarHBondContact O-N 2.78Å; M102-L104 VanDerWaalsContact C-N 3.31Å; M102-L104 PolarHBondContact O-N 3.13Å; M102-L105 HydrophobicContact CE-CD2 4.46Å; M102-L105 WeakPolarHBondContact O-CB 3.25Å; M102-L105 PolarHBondContact O-N 3.42Å; M102-L105 HydrophobicContact SD-CD2 4.42Å; M102-Y106 HydrophobicContact CB-CE2 4.46Å; M102-Y106 HydrophobicContact CE-CD2 4.45Å; M102-Y106 HydrophobicContact CE-CE2 3.68Å; M102-Y106 WeakPolarHBondContact O-CD2 3.42Å; M102-Y106 PolarHBondContact O-N 2.92Å
103	S	76.4	Confident	81.6	Confident	21 Å²	21	44.3 Å²	44.3	15%	0.147	23%	0.234	C	C	.	.	H	α-helix	trans	-60.2	-40.6	178.1	-62.4	0	0	0	0	112.1	E99 I100 Y106 E107	E99-S103 WeakPolarHBondContact O-CB 3.45Å; E99-S103 PolarHBondContact O-N 2.96Å; E99-S103 PolarHBondContact O-OG 2.97Å; I100-S103 WeakPolarHBondContact O-CB 3.34Å; I100-S103 PolarHBondContact O-N 3.25Å; S103-Y106 PolarHBondContact O-N 3.21Å; S103-E107 PolarHBondContact O-N 3.27Å; S103-E107 VanDerWaalsContact O-N 3.1Å
104	L	81.2	Confident	81.1	Confident	15 Å²	15	47.3 Å²	47.3	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-36.5	176	-73.7	164	0	0	0	112.6	V20 L22 Y61 I100 N101 M102 E108	V20-L104 HydrophobicContact CB-CD2 4.14Å; V20-L104 HydrophobicContact CG1-CD1 4.49Å; V20-L104 HydrophobicContact CG1-CD2 4.24Å; L22-L104 HydrophobicContact CD2-CB 4.33Å; L22-L104 HydrophobicContact CD2-CD1 3.48Å; L22-L104 VanDerWaalsContact CD2-CD1 3.48Å; L22-L104 HydrophobicContact CG-CD1 4.3Å; Y61-L104 PolarHBondContact OH-O 2.8Å; I100-L104 HydrophobicContact CG2-CD1 4.22Å; I100-L104 PolarHBondContact O-N 2.77Å; N101-L104 PolarHBondContact O-N 3.1Å; M102-L104 VanDerWaalsContact C-N 3.31Å; M102-L104 PolarHBondContact O-N 3.13Å; L104-E108 PolarHBondContact O-N 3.5Å
105	L	84.2	Confident	80.7	Confident	2 Å²	2	47.6 Å²	47.6	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-44.9	171.2	176.5	68.6	0	0	0	111.4	I34 Y61 I62 L67 L95 N101 M102 E107 E108 L109	I34-L105 HydrophobicContact CD1-CD2 3.98Å; Y61-L105 HydrophobicContact CD1-CD1 3.45Å; Y61-L105 VanDerWaalsContact CD1-CD1 3.45Å; Y61-L105 HydrophobicContact CE1-CB 4.16Å; Y61-L105 HydrophobicContact CE1-CD1 3.58Å; Y61-L105 HydrophobicContact CE1-CG 4.49Å; I62-L105 HydrophobicContact CG1-CD1 4.49Å; L67-L105 HydrophobicContact CD1-CB 4.24Å; L67-L105 HydrophobicContact CD1-CD1 4.35Å; L67-L105 HydrophobicContact CD1-CD2 4.23Å; L95-L105 HydrophobicContact CD1-CD2 3.12Å; N101-L105 PolarHBondContact O-N 3.47Å; M102-L105 HydrophobicContact CE-CD2 4.46Å; M102-L105 WeakPolarHBondContact O-CB 3.25Å; M102-L105 PolarHBondContact O-N 3.42Å; M102-L105 HydrophobicContact SD-CD2 4.42Å; L105-E107 VanDerWaalsContact C-N 3.33Å; L105-E107 PolarHBondContact O-N 3.28Å; L105-E108 PolarHBondContact O-N 2.91Å; L105-L109 HydrophobicContact CD1-CD1 3.99Å; L105-L109 HydrophobicContact CD1-CD2 4.34Å; L105-L109 HydrophobicContact CD1-CG 3.94Å; L105-L109 HydrophobicContact CD2-CD1 4.31Å; L105-L109 HydrophobicContact CG-CD1 3.77Å; L105-L109 HydrophobicContact CG-CG 4.12Å; L105-L109 WeakPolarHBondContact O-CB 3.28Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.07Å
106	Y	80.8	Confident	80.2	Confident	43 Å²	43	49.7 Å²	49.7	17%	0.169	26%	0.263	C	S	.	.	H	α-helix	trans	-60.1	-40.4	177.9	-81.6	-67.1	0	0	0	113.4	I34 M102 S103 R110 I118 L120	I34-Y106 HydrophobicContact CG2-CE1 4.17Å; I34-Y106 WeakPolarHBondContact CG2-OH 3.43Å; M102-Y106 HydrophobicContact CB-CE2 4.46Å; M102-Y106 HydrophobicContact CE-CD2 4.45Å; M102-Y106 HydrophobicContact CE-CE2 3.68Å; M102-Y106 WeakPolarHBondContact O-CD2 3.42Å; M102-Y106 PolarHBondContact O-N 2.92Å; S103-Y106 PolarHBondContact O-N 3.21Å; Y106-R110 VanDerWaalsContact O-CB 3.32Å; Y106-R110 WeakPolarHBondContact O-CB 3.39Å; Y106-R110 VanDerWaalsContact O-CG 3.28Å; Y106-R110 WeakPolarHBondContact O-CG 3.47Å; Y106-R110 PolarHBondContact O-N 3.28Å; Y106-I118 HydrophobicContact CD1-CD1 4.19Å; Y106-I118 HydrophobicContact CD1-CG2 4.12Å; Y106-I118 HydrophobicContact CE1-CB 4.37Å; Y106-I118 HydrophobicContact CE1-CG2 3.61Å; Y106-L120 VanDerWaalsContact OH-CB 3.29Å; Y106-L120 WeakPolarHBondContact OH-CB 3.39Å; Y106-L120 WeakPolarHBondContact OH-CD1 3.25Å; Y106-L120 WeakPolarHBondContact OH-CG 3.38Å
107	E	77.5	Confident	79.9	Confident	72 Å²	72	46.8 Å²	46.8	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-45.4	176.3	-72	-160.5	149.7	0	0	111.6	S103 L105 R110 G111 K440	S103-E107 PolarHBondContact O-N 3.27Å; S103-E107 VanDerWaalsContact O-N 3.1Å; L105-E107 VanDerWaalsContact C-N 3.33Å; L105-E107 PolarHBondContact O-N 3.28Å; E107-R110 PolarHBondContact O-N 2.92Å; E107-G111 PolarHBondContact O-N 3.33Å; E107-K440 WeakPolarHBondContact OE1-CD 3.35Å; E107-K440 IonicContact OE1-NZ 2.76Å; E107-K440 PolarHBondContact OE1-NZ 3.11Å; E107-K440 IonicContact OE2-NZ 3.99Å; E107-K440 PolarHBondContact OE2-NZ 3.35Å
108	E	82.2	Confident	79.8	Confident	111 Å²	111	48.2 Å²	48.2	52%	0.519	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-47.1	178.4	-164.2	77.9	-167.9	0	0	111.5	Y61 L104 L105 R110 G111 N112	Y61-E108 HydrophobicContact CD1-CB 4.42Å; Y61-E108 HydrophobicContact CD1-CG 4.44Å; Y61-E108 HydrophobicContact CD2-CB 4.14Å; Y61-E108 HydrophobicContact CD2-CG 3.48Å; Y61-E108 VanDerWaalsContact CD2-CG 3.48Å; Y61-E108 HydrophobicContact CE1-CB 3.98Å; Y61-E108 HydrophobicContact CE1-CG 4.36Å; Y61-E108 HydrophobicContact CE2-CB 3.65Å; Y61-E108 VanDerWaalsContact CE2-CD 3.47Å; Y61-E108 HydrophobicContact CE2-CG 3.37Å; Y61-E108 WeakPolarHBondContact CE2-OE2 3.46Å; Y61-E108 HydrophobicContact CG-CB 4.47Å; Y61-E108 HydrophobicContact CG-CG 4Å; L104-E108 PolarHBondContact O-N 3.5Å; L105-E108 PolarHBondContact O-N 2.91Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.44Å; E108-G111 PolarHBondContact O-N 3Å; E108-G111 VanDerWaalsContact O-N 3.08Å; E108-N112 PolarHBondContact O-N 2.91Å
109	L	85.3	Confident	79.6	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.037	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-38.3	179.4	-66.1	178.5	0	0	0	111.8	I34 I36 I58 L105 G111 N112 I115 I118	I34-L109 HydrophobicContact CD1-CD1 3.84Å; I36-L109 HydrophobicContact CD1-CD1 3.76Å; I36-L109 HydrophobicContact CD1-CD2 3.99Å; I36-L109 HydrophobicContact CG1-CD1 4.35Å; I58-L109 HydrophobicContact CB-CD2 4.39Å; I58-L109 HydrophobicContact CD1-CD2 4.28Å; I58-L109 HydrophobicContact CG1-CD2 3.69Å; I58-L109 HydrophobicContact CG2-CD2 4.02Å; L105-L109 HydrophobicContact CD1-CD1 3.99Å; L105-L109 HydrophobicContact CD1-CD2 4.34Å; L105-L109 HydrophobicContact CD1-CG 3.94Å; L105-L109 HydrophobicContact CD2-CD1 4.31Å; L105-L109 HydrophobicContact CG-CD1 3.77Å; L105-L109 HydrophobicContact CG-CG 4.12Å; L105-L109 WeakPolarHBondContact O-CB 3.28Å; L105-L109 VanDerWaalsContact O-CG 3.25Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 3.07Å; L109-G111 VanDerWaalsContact C-N 3.26Å; L109-G111 PolarHBondContact O-N 3.23Å; L109-N112 WeakPolarHBondContact O-CB 3.35Å; L109-N112 PolarHBondContact O-N 3.11Å; L109-I115 HydrophobicContact CB-CD1 3.95Å; L109-I115 HydrophobicContact CD2-CD1 3.77Å; L109-I115 HydrophobicContact CG-CD1 4.45Å; L109-I115 WeakPolarHBondContact O-CD1 3.1Å; L109-I118 HydrophobicContact CB-CD1 3.32Å; L109-I118 HydrophobicContact CB-CG1 4.41Å; L109-I118 HydrophobicContact CD1-CD1 4.07Å; L109-I118 HydrophobicContact CG-CD1 4.35Å
110	R	78.5	Confident	79.4	Confident	184 Å²	184	48.9 Å²	48.9	69%	0.694	27%	0.268	S	S	*	.	H	α-helix	trans	-68.4	-25.3	174.4	-77	-179.6	178.4	-172.9	-0.7	113	Y106 E107 E108 N112 I118	Y106-R110 VanDerWaalsContact O-CB 3.32Å; Y106-R110 WeakPolarHBondContact O-CB 3.39Å; Y106-R110 VanDerWaalsContact O-CG 3.28Å; Y106-R110 WeakPolarHBondContact O-CG 3.47Å; Y106-R110 PolarHBondContact O-N 3.28Å; E107-R110 PolarHBondContact O-N 2.92Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.44Å; R110-N112 VanDerWaalsContact C-N 3.28Å; R110-I118 HydrophobicContact CG-CD1 4.13Å
111	G	77	Confident	78.7	Confident	67 Å²	67	49.7 Å²	49.7	69%	0.691	27%	0.273	S	S	*	.	H	α-helix	trans	-75	-15.6	173.7	0	0	0	0	0	113.8	E107 E108 L109 S113	E107-G111 PolarHBondContact O-N 3.33Å; E108-G111 PolarHBondContact O-N 3Å; E108-G111 VanDerWaalsContact O-N 3.08Å; L109-G111 VanDerWaalsContact C-N 3.26Å; L109-G111 PolarHBondContact O-N 3.23Å; G111-S113 PolarHBondContact O-N 3.41Å
112	N	79.8	Confident	77.3	Confident	29 Å²	29	52.4 Å²	52.4	16%	0.155	29%	0.287	C	S	.	.			trans	-78.7	118.3	-178.4	-167	-59.1	0	0	0	111.2	E57 E108 L109 R110 F114 I115	E57-N112 PolarHBondContact OE2-ND2 3.49Å; E108-N112 PolarHBondContact O-N 2.91Å; L109-N112 WeakPolarHBondContact O-CB 3.35Å; L109-N112 PolarHBondContact O-N 3.11Å; R110-N112 VanDerWaalsContact C-N 3.28Å; N112-F114 PolarHBondContact O-N 2.87Å; N112-F114 WeakPolarHBondContact OD1-CB 3.12Å; N112-F114 WeakPolarHBondContact OD1-CD2 3.38Å; N112-F114 PolarHBondContact OD1-N 2.86Å; N112-I115 HydrophobicContact CB-CD1 3.89Å; N112-I115 HydrophobicContact CB-CG1 4.07Å; N112-I115 PolarHBondContact O-N 3.28Å
113	S	78.2	Confident	75.5	Confident	94 Å²	94	54.3 Å²	54.3	66%	0.657	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-13.9	-177.5	53.5	0	0	0	0	115.1	G111	G111-S113 PolarHBondContact O-N 3.41Å
114	F	79.5	Confident	73.8	Confident	63 Å²	63	62.7 Å²	62.7	28%	0.276	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-12.2	-178.8	-57.8	-73.5	0	0	0	113.3	F38 H39 F50 T54 N112	F38-F114 CarbonylContact C-O 3.56Å; F38-F114 VanDerWaalsContact CA-O 3.32Å; F38-F114 WeakPolarHBondContact CA-O 3.46Å; H39-F114 PolarHBondContact N-O 3.23Å; F50-F114 HydrophobicContact CD1-CE1 4.22Å; F50-F114 HydrophobicContact CD1-CZ 4.43Å; T54-F114 HydrophobicContact CG2-CB 3.93Å; N112-F114 PolarHBondContact O-N 2.87Å; N112-F114 WeakPolarHBondContact OD1-CB 3.12Å; N112-F114 WeakPolarHBondContact OD1-CD2 3.38Å; N112-F114 PolarHBondContact OD1-N 2.86Å
115	I	81.4	Confident	72	Confident	18 Å²	18	67.6 Å²	67.6	9%	0.092	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	118.7	179.2	-66.4	179.9	0	0	0	109.1	I36 N37 F38 T54 I58 L109 N112 I118	I36-I115 HydrophobicContact CG2-CB 4.39Å; I36-I115 HydrophobicContact CG2-CD1 3.65Å; I36-I115 HydrophobicContact CG2-CG1 3.74Å; I36-I115 HydrophobicContact CG2-CG2 3.85Å; N37-I115 CarbonylContact O-C 3.09Å; F38-I115 HydrophobicContact CD1-CG1 4.29Å; F38-I115 HydrophobicContact CE1-CG1 4.12Å; T54-I115 HydrophobicContact CG2-CG1 4.45Å; I58-I115 HydrophobicContact CD1-CD1 4.19Å; L109-I115 HydrophobicContact CB-CD1 3.95Å; L109-I115 HydrophobicContact CD2-CD1 3.77Å; L109-I115 HydrophobicContact CG-CD1 4.45Å; L109-I115 WeakPolarHBondContact O-CD1 3.1Å; N112-I115 HydrophobicContact CB-CD1 3.89Å; N112-I115 HydrophobicContact CB-CG1 4.07Å; N112-I115 PolarHBondContact O-N 3.28Å; I115-I118 HydrophobicContact CG2-CD1 4.33Å; I115-I118 HydrophobicContact CG2-CG1 3.73Å
116	S	79.1	Confident	70.3	Confident	44 Å²	44	68.9 Å²	68.9	31%	0.308	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-25.2	176.9	60	0	0	0	0	113.2	N37 F38 Q88	N37-S116 VanDerWaalsContact C-OG 3.22Å; N37-S116 WeakPolarHBondContact CB-OG 3.05Å; N37-S116 PolarHBondContact O-N 2.92Å; N37-S116 PolarHBondContact O-OG 3.5Å; N37-S116 VanDerWaalsContact O-OG 3.11Å; F38-S116 PolarHBondContact N-OG 3.37Å; F38-S116 PolarHBondContact O-OG 2.96Å; Q88-S116 PolarHBondContact NE2-OG 2.96Å
117	G	79.8	Confident	69	Low	24 Å²	24	76.2 Å²	76.2	25%	0.247	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	157.7	176.9	0	0	0	0	0	112.8	N37	N37-G117 PolarHBondContact N-O 2.67Å; N37-G117 PolarHBondContact O-N 3.46Å
118	I	80.8	Confident	68.6	Low	34 Å²	34	76 Å²	76	17%	0.174	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.5	177	-48.9	162.8	0	0	0	107.6	I34 I35 I36 Y106 L109 R110 I115	I34-I118 HydrophobicContact CB-CG2 4.21Å; I35-I118 CarbonylContact O-C 3.58Å; I35-I118 WeakPolarHBondContact O-CA 3.45Å; I36-I118 HydrophobicContact CG1-CG2 4.29Å; Y106-I118 HydrophobicContact CD1-CD1 4.19Å; Y106-I118 HydrophobicContact CD1-CG2 4.12Å; Y106-I118 HydrophobicContact CE1-CB 4.37Å; Y106-I118 HydrophobicContact CE1-CG2 3.61Å; L109-I118 HydrophobicContact CB-CD1 3.32Å; L109-I118 HydrophobicContact CB-CG1 4.41Å; L109-I118 HydrophobicContact CD1-CD1 4.07Å; L109-I118 HydrophobicContact CG-CD1 4.35Å; R110-I118 HydrophobicContact CG-CD1 4.13Å; I115-I118 HydrophobicContact CG2-CD1 4.33Å; I115-I118 HydrophobicContact CG2-CG1 3.73Å
119	N	75.9	Confident	68.8	Low	85 Å²	85	76.8 Å²	76.8	46%	0.455	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122.9	178.3	-56.6	-24.2	0	0	0	109	I34 I35 N37	I34-N119 CarbonylContact C-O 3.43Å; I34-N119 WeakPolarHBondContact CA-O 3.49Å; I35-N119 HydrophobicContact CB-CB 4.27Å; I35-N119 PolarHBondContact N-O 3.24Å; I35-N119 PolarHBondContact O-N 2.78Å; N37-N119 PolarHBondContact ND2-ND2 3.03Å
120	L	70.1	Confident	69	Low	29 Å²	29	78.5 Å²	78.5	15%	0.152	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124.1	173.2	-177.3	64.2	0	0	0	109	H32 S33 I34 Y106 N122 N123	H32-L120 HydrophobicContact CB-CD1 4.41Å; S33-L120 WeakPolarHBondContact O-CD1 3.42Å; I34-L120 HydrophobicContact CG2-CD1 3.72Å; Y106-L120 VanDerWaalsContact OH-CB 3.29Å; Y106-L120 WeakPolarHBondContact OH-CB 3.39Å; Y106-L120 WeakPolarHBondContact OH-CD1 3.25Å; Y106-L120 WeakPolarHBondContact OH-CG 3.38Å; L120-N122 HydrophobicContact CD1-CB 4.35Å; L120-N123 HydrophobicContact CD2-CB 3.89Å; L120-N123 WeakPolarHBondContact CD2-ND2 3.32Å; L120-N123 HydrophobicContact CG-CB 4.39Å
121	L	62.2	Low	69.8	Low	84 Å²	84	69.9 Å²	69.9	44%	0.44	38%	0.376	S	S	.	.	S	Bend	trans	-84	-24	174.3	-72.7	165.8	0	0	0	112.6	S33 I35 L92	S33-L121 WeakPolarHBondContact O-CB 3.03Å; S33-L121 PolarHBondContact O-N 3.39Å; I35-L121 HydrophobicContact CD1-CD1 3.92Å; I35-L121 HydrophobicContact CD1-CD2 3.84Å; I35-L121 HydrophobicContact CD1-CG 3.94Å; I35-L121 HydrophobicContact CG1-CD1 3.78Å; I35-L121 HydrophobicContact CG1-CG 4.06Å; L92-L121 HydrophobicContact CD1-CD1 3.43Å; L92-L121 VanDerWaalsContact CD1-CD1 3.43Å
122	N	51.4	Low	70.7	Confident	70 Å²	70	72.5 Å²	72.5	37%	0.374	37%	0.368	S	S	.	.	S	Bend	trans	-90.7	0.8	-174.2	-76.1	18.8	0	0	0	114.8	I31 H32 S33 L120	I31-N122 PolarHBondContact O-ND2 3.05Å; H32-N122 VanDerWaalsContact CA-ND2 3.26Å; H32-N122 WeakPolarHBondContact CA-ND2 3.21Å; H32-N122 PolarHBondContact N-ND2 2.85Å; S33-N122 WeakPolarHBondContact CB-OD1 3.43Å; S33-N122 VanDerWaalsContact N-CG 3.3Å; S33-N122 PolarHBondContact N-ND2 2.78Å; S33-N122 PolarHBondContact N-OD1 2.91Å; L120-N122 HydrophobicContact CD1-CB 4.35Å
123	N	45.3	Very low	71.5	Confident	45 Å²	45	73.9 Å²	73.9	24%	0.241	37%	0.373	C	S	.	.	S	Bend	trans	-88.3	126.9	153.6	-80.3	-7.5	0	0	0	105.6	L120 E125 S418	L120-N123 HydrophobicContact CD2-CB 3.89Å; L120-N123 WeakPolarHBondContact CD2-ND2 3.32Å; L120-N123 HydrophobicContact CG-CB 4.39Å; N123-E125 HydrophobicContact CB-CG 4.06Å; N123-E125 PolarHBondContact O-N 3.41Å; N123-S418 PolarHBondContact ND2-OG 3.41Å; N123-S418 PolarHBondContact OD1-OG 3.26Å
124	Q	39.8	Very low	72.4	Confident	197 Å²	197	69.6 Å²	69.6	92%	0.921	34%	0.343	S	S	*	.			trans	-58.5	66.6	144.2	-63.4	174.3	-19.4	0	0	107.2	S126	Q124-S126 PolarHBondContact O-N 3.5Å
125	E	44.3	Very low	73.3	Confident	118 Å²	118	68.6 Å²	68.6	55%	0.551	34%	0.344	S	S	*	.			trans	-54.3	109.3	150.8	-76	-168.7	173.9	0	0	101.8	N123 E127	N123-E125 HydrophobicContact CB-CG 4.06Å; N123-E125 PolarHBondContact O-N 3.41Å; E125-E127 PolarHBondContact O-N 3.2Å
126	S	47.8	Very low	74	Confident	29 Å²	29	69.1 Å²	69.1	20%	0.203	35%	0.347	C	S	.	.			trans	-51.4	128.3	177.2	105.4	0	0	0	0	104.9	Q124 D128	Q124-S126 PolarHBondContact O-N 3.5Å; S126-D128 WeakPolarHBondContact CB-OD2 3.35Å; S126-D128 PolarHBondContact O-N 3.36Å; S126-D128 WeakPolarHBondContact OG-CB 3.35Å; S126-D128 VanDerWaalsContact OG-CG 3.22Å; S126-D128 PolarHBondContact OG-N 3.39Å; S126-D128 PolarHBondContact OG-OD2 3.21Å
127	E	53.7	Low	74.8	Confident	197 Å²	197	67 Å²	67	92%	0.921	33%	0.332	S	S	*	.	S	Bend	trans	-59.5	-4.4	176.8	-70.5	-177.1	158.2	0	0	111	E125 W129	E125-E127 PolarHBondContact O-N 3.2Å; E127-W129 PolarHBondContact O-N 2.85Å
128	D	69.3	Low	75.6	Confident	67 Å²	67	67.7 Å²	67.7	36%	0.358	33%	0.33	S	S	.	.			trans	-70.5	117.3	179.6	-43	-49.4	0	0	0	110.3	S126 Y130 R261	S126-D128 WeakPolarHBondContact CB-OD2 3.35Å; S126-D128 PolarHBondContact O-N 3.36Å; S126-D128 WeakPolarHBondContact OG-CB 3.35Å; S126-D128 VanDerWaalsContact OG-CG 3.22Å; S126-D128 PolarHBondContact OG-N 3.39Å; S126-D128 PolarHBondContact OG-OD2 3.21Å; D128-Y130 PolarHBondContact O-N 3.46Å; D128-R261 IonicContact OD2-NH2 2.83Å
129	W	85.4	Confident	76.1	Confident	127 Å²	127	71.7 Å²	71.7	48%	0.481	35%	0.346	S	S	.	.			trans	-52.8	138.6	169.8	177.4	89.6	0	0	0	111.3	E127 P131 D136 K139	E127-W129 PolarHBondContact O-N 2.85Å; W129-P131 HydrophobicContact CH2-CB 4.15Å; W129-D136 HydrophobicContact CH2-CB 4.11Å; W129-D136 HydrophobicContact CZ2-CB 3.89Å; W129-K139 HydrophobicContact CH2-CB 3.76Å; W129-K139 HydrophobicContact CH2-CD 3.89Å; W129-K139 HydrophobicContact CH2-CG 4.48Å; W129-K139 HydrophobicContact CZ2-CB 4.3Å; W129-K139 HydrophobicContact CZ2-CD 3.54Å; W129-K139 HydrophobicContact CZ3-CB 4.3Å
130	Y	90.7	Very high	76.7	Confident	44 Å²	44	67.7 Å²	67.7	17%	0.173	33%	0.325	C	S	.	.			trans	-135.6	151.3	170.2	61.9	-92.4	0	0	0	110.4	D128 K132 L320 M432	D128-Y130 PolarHBondContact O-N 3.46Å; Y130-K132 HydrophobicContact CD2-CG 4.35Å; Y130-K132 HydrophobicContact CE2-CG 3.98Å; Y130-L320 HydrophobicContact CD2-CB 4.25Å; Y130-L320 HydrophobicContact CG-CB 4.45Å; Y130-M432 HydrophobicContact CE1-CE 4.31Å; Y130-M432 VanDerWaalsContact OH-CG 3.27Å; Y130-M432 WeakPolarHBondContact OH-CG 3.49Å
131	P	95.2	Very high	77.3	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.019	33%	0.329	C	S	.	.			trans	-64.1	135.3	178.4	24	-33.4	0	0	0	111.8	W129 D136 L137 A265 F269 L320	W129-P131 HydrophobicContact CH2-CB 4.15Å; P131-D136 HydrophobicContact CB-CB 3.55Å; P131-L137 HydrophobicContact CB-CD2 4.15Å; P131-L137 HydrophobicContact CG-CD2 4Å; P131-A265 HydrophobicContact CG-CB 3.92Å; P131-F269 HydrophobicContact CB-CE2 3.82Å; P131-F269 HydrophobicContact CB-CZ 4.09Å; P131-F269 HydrophobicContact CG-CE2 3.74Å; P131-F269 HydrophobicContact CG-CZ 4.44Å; P131-F269 WeakPolarHBondContact O-CZ 3.43Å; P131-L320 HydrophobicContact CG-CD2 4.18Å
132	K	94.8	Very high	78.3	Confident	122 Å²	122	70.6 Å²	70.6	53%	0.53	34%	0.335	S	S	.	.	S	Bend	trans	-111.1	-23.7	179.3	-66.4	-179.9	-177.6	176.2	0	112.8	Y130 D136 T429 V430	Y130-K132 HydrophobicContact CD2-CG 4.35Å; Y130-K132 HydrophobicContact CE2-CG 3.98Å; K132-D136 PolarHBondContact N-OD2 3.43Å; K132-T429 CarbonylContact O-C 3.53Å; K132-T429 WeakPolarHBondContact O-CA 2.95Å; K132-T429 WeakPolarHBondContact O-CB 2.87Å; K132-V430 PolarHBondContact O-N 3.49Å
133	H	97.3	Very high	79.9	Confident	57 Å²	57	69.8 Å²	69.8	26%	0.264	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-126.4	150.6	170.7	179.5	-100.9	0	0	0	108.7	S135 D136 F269 T427 T429	H133-S135 VanDerWaalsContact ND1-CB 3.35Å; H133-S135 WeakPolarHBondContact ND1-CB 3.44Å; H133-S135 PolarHBondContact ND1-N 3.02Å; H133-S135 VanDerWaalsContact ND1-N 3.16Å; H133-S135 PolarHBondContact ND1-OG 3.21Å; H133-S135 PolarHBondContact O-N 2.93Å; H133-D136 PolarHBondContact N-OD2 3.32Å; H133-D136 VanDerWaalsContact N-OD2 3.16Å; H133-D136 WeakPolarHBondContact O-CB 3.42Å; H133-D136 PolarHBondContact O-N 3.19Å; H133-F269 VanDerWaalsContact C-CE1 3.47Å; H133-T427 PolarHBondContact CD2-O 3.4Å; H133-T429 HydrophobicContact CB-CG2 4.23Å
134	I	97.7	Very high	81.5	Confident	5 Å²	5	70.8 Å²	70.8	3%	0.026	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-54.4	-29.9	-179	-171.9	166.5	0	0	0	113.7	D136 L137 Y179 F269 V271 E428	I134-D136 PolarHBondContact O-N 2.7Å; I134-L137 HydrophobicContact CG1-CD1 4.13Å; I134-L137 VanDerWaalsContact O-CB 3.29Å; I134-L137 WeakPolarHBondContact O-CB 3.37Å; I134-L137 VanDerWaalsContact O-CG 3.25Å; I134-L137 WeakPolarHBondContact O-CG 3.41Å; I134-L137 PolarHBondContact O-N 3.23Å; I134-L137 VanDerWaalsContact O-N 3.14Å; I134-Y179 HydrophobicContact CB-CE2 4.23Å; I134-Y179 HydrophobicContact CD1-CE2 4.12Å; I134-Y179 HydrophobicContact CG1-CD2 4.11Å; I134-Y179 HydrophobicContact CG1-CE2 4.02Å; I134-Y179 HydrophobicContact CG2-CD2 3.88Å; I134-Y179 HydrophobicContact CG2-CE1 4.38Å; I134-Y179 HydrophobicContact CG2-CE2 3.26Å; I134-F269 HydrophobicContact CB-CB 4.47Å; I134-F269 HydrophobicContact CB-CD1 3.75Å; I134-F269 HydrophobicContact CB-CE1 4.44Å; I134-F269 HydrophobicContact CB-CG 4.36Å; I134-F269 HydrophobicContact CD1-CB 4.36Å; I134-F269 HydrophobicContact CG1-CB 4.14Å; I134-F269 HydrophobicContact CG1-CD1 4.35Å; I134-F269 HydrophobicContact CG1-CG 4.49Å; I134-V271 HydrophobicContact CD1-CG2 3.81Å; I134-V271 HydrophobicContact CG1-CG2 4.17Å; I134-E428 HydrophobicContact CB-CB 4.03Å; I134-E428 HydrophobicContact CG2-CB 3.54Å; I134-E428 HydrophobicContact CG2-CG 4.41Å; I134-E428 WeakPolarHBondContact CG2-OE2 3.07Å; I134-E428 PolarHBondContact N-O 3.17Å
135	S	97.1	Very high	83.3	Confident	42 Å²	42	70.3 Å²	70.3	29%	0.294	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-66.9	-21.6	175.7	69.9	0	0	0	0	113.3	H133 L137 D138	H133-S135 VanDerWaalsContact ND1-CB 3.35Å; H133-S135 WeakPolarHBondContact ND1-CB 3.44Å; H133-S135 PolarHBondContact ND1-N 3.02Å; H133-S135 VanDerWaalsContact ND1-N 3.16Å; H133-S135 PolarHBondContact ND1-OG 3.21Å; H133-S135 PolarHBondContact O-N 2.93Å; S135-L137 PolarHBondContact O-N 2.85Å; S135-D138 WeakPolarHBondContact O-CB 3.45Å; S135-D138 PolarHBondContact O-N 2.79Å
136	D	96.8	Very high	84.7	Confident	28 Å²	28	69.4 Å²	69.4	15%	0.15	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17.4	174.2	-74.4	-43.6	0	0	0	112.3	W129 P131 K132 H133 I134 D138 K139	W129-D136 HydrophobicContact CH2-CB 4.11Å; W129-D136 HydrophobicContact CZ2-CB 3.89Å; P131-D136 HydrophobicContact CB-CB 3.55Å; K132-D136 PolarHBondContact N-OD2 3.43Å; H133-D136 PolarHBondContact N-OD2 3.32Å; H133-D136 VanDerWaalsContact N-OD2 3.16Å; H133-D136 WeakPolarHBondContact O-CB 3.42Å; H133-D136 PolarHBondContact O-N 3.19Å; I134-D136 PolarHBondContact O-N 2.7Å; D136-D138 PolarHBondContact O-N 2.81Å; D136-D138 VanDerWaalsContact O-N 3.09Å; D136-K139 WeakPolarHBondContact O-CB 3.35Å; D136-K139 PolarHBondContact O-N 3.42Å; D136-K139 IonicContact OD1-NZ 3.83Å; D136-K139 PolarHBondContact OD1-NZ 2.78Å
137	L	96.3	Very high	85.8	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.1	-14.2	172.9	-60.7	-176.6	0	0	0	113	P131 I134 S135 K139 C140 F269 V271	P131-L137 HydrophobicContact CB-CD2 4.15Å; P131-L137 HydrophobicContact CG-CD2 4Å; I134-L137 HydrophobicContact CG1-CD1 4.13Å; I134-L137 VanDerWaalsContact O-CB 3.29Å; I134-L137 WeakPolarHBondContact O-CB 3.37Å; I134-L137 VanDerWaalsContact O-CG 3.25Å; I134-L137 WeakPolarHBondContact O-CG 3.41Å; I134-L137 PolarHBondContact O-N 3.23Å; I134-L137 VanDerWaalsContact O-N 3.14Å; S135-L137 PolarHBondContact O-N 2.85Å; L137-K139 PolarHBondContact O-N 3.46Å; L137-C140 HydrophobicContact CD2-CB 4.34Å; L137-C140 PolarHBondContact O-N 2.84Å; L137-F269 HydrophobicContact CD1-CB 4.07Å; L137-F269 HydrophobicContact CD1-CD2 4.45Å; L137-F269 HydrophobicContact CD1-CG 4.39Å; L137-F269 HydrophobicContact CD2-CD2 4.06Å; L137-F269 HydrophobicContact CG-CD2 4.43Å; L137-V271 HydrophobicContact CD1-CB 3.72Å; L137-V271 HydrophobicContact CD1-CG1 4.04Å; L137-V271 HydrophobicContact CD1-CG2 3.68Å
138	D	94.7	Very high	86.8	Confident	37 Å²	37	63.1 Å²	63.1	20%	0.198	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-61.3	-19	167.7	-71.5	-13.4	0	0	0	113.5	S135 D136 K178 Y179 R252	S135-D138 WeakPolarHBondContact O-CB 3.45Å; S135-D138 PolarHBondContact O-N 2.79Å; D136-D138 PolarHBondContact O-N 2.81Å; D136-D138 VanDerWaalsContact O-N 3.09Å; D138-K178 HydrophobicContact CB-CD 4.24Å; D138-K178 WeakPolarHBondContact OD2-CD 3.39Å; D138-Y179 PolarHBondContact OD1-N 3.48Å; D138-Y179 PolarHBondContact OD2-N 3.28Å; D138-Y179 VanDerWaalsContact OD2-N 3.11Å; D138-R252 IonicContact OD1-CZ 3.52Å; D138-R252 IonicContact OD1-NH1 2.71Å; D138-R252 PolarHBondContact OD1-NH1 2.9Å; D138-R252 IonicContact OD1-NH2 3.53Å; D138-R252 PolarHBondContact OD1-NH2 2.76Å
139	K	91.9	Very high	86.6	Confident	118 Å²	118	60.1 Å²	60.1	51%	0.513	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-95.4	-11	175.1	-57.4	160.7	-174.2	161.1	0	112.6	W129 D136 L137 Q141	W129-K139 HydrophobicContact CH2-CB 3.76Å; W129-K139 HydrophobicContact CH2-CD 3.89Å; W129-K139 HydrophobicContact CH2-CG 4.48Å; W129-K139 HydrophobicContact CZ2-CB 4.3Å; W129-K139 HydrophobicContact CZ2-CD 3.54Å; W129-K139 HydrophobicContact CZ3-CB 4.3Å; D136-K139 WeakPolarHBondContact O-CB 3.35Å; D136-K139 PolarHBondContact O-N 3.42Å; D136-K139 IonicContact OD1-NZ 3.83Å; D136-K139 PolarHBondContact OD1-NZ 2.78Å; L137-K139 PolarHBondContact O-N 3.46Å; K139-Q141 VanDerWaalsContact C-N 3.31Å; K139-Q141 PolarHBondContact O-N 2.83Å; K139-Q141 VanDerWaalsContact O-N 3.16Å
140	C	89.5	Confident	86.1	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.007	27%	0.268	C	S	.	.			trans	-89.4	60.8	-179	-65.7	0	0	0	0	111.4	L137 D262 Q273	L137-C140 HydrophobicContact CD2-CB 4.34Å; L137-C140 PolarHBondContact O-N 2.84Å; C140-D262 VanDerWaalsContact CA-CG 3.49Å; C140-D262 WeakPolarHBondContact CA-OD2 3.29Å; C140-D262 HydrophobicContact CB-CB 3.92Å; C140-Q273 PolarHBondContact O-NE2 2.77Å
141	Q	83	Confident	85.3	Confident	53 Å²	53	61.3 Å²	61.3	25%	0.248	29%	0.286	C	S	.	.			trans	-124.2	21.6	-175.3	-58.8	-169.3	-29.5	0	0	113	K139 L143 D262	K139-Q141 VanDerWaalsContact C-N 3.31Å; K139-Q141 PolarHBondContact O-N 2.83Å; K139-Q141 VanDerWaalsContact O-N 3.16Å; Q141-L143 PolarHBondContact O-N 3.3Å; Q141-D262 PolarHBondContact N-OD2 3.1Å
142	H	82.8	Confident	84.4	Confident	122 Å²	122	62.7 Å²	62.7	57%	0.565	29%	0.292	S	S	*	.			trans	-69	100.2	-179.8	-62.2	94.9	0	0	0	110.5	S259 D262	H142-S259 PolarHBondContact O-N 3.48Å; H142-D262 VanDerWaalsContact CB-OD2 3.26Å; H142-D262 WeakPolarHBondContact CB-OD2 3.06Å; H142-D262 IonicContact CE1-OD2 2.84Å; H142-D262 IonicContact CG-OD2 2.64Å; H142-D262 VanDerWaalsContact CG-OD2 3.32Å; H142-D262 PolarHBondContact N-OD2 2.8Å; H142-D262 IonicContact ND1-OD1 3.53Å; H142-D262 IonicContact ND1-OD2 3.22Å; H142-D262 PolarHBondContact ND1-OD2 3.39Å
143	L	84.3	Confident	83.7	Confident	52 Å²	52	62.1 Å²	62.1	27%	0.272	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-82.4	137.9	179.9	-56.9	179.7	0	0	0	112.1	Q141 F175 V254 A255 L257 V258	Q141-L143 PolarHBondContact O-N 3.3Å; L143-F175 HydrophobicContact CD1-CE1 3.87Å; L143-F175 HydrophobicContact CD1-CZ 3.71Å; L143-V254 HydrophobicContact CD2-CG2 4.05Å; L143-A255 HydrophobicContact CD1-CB 3.89Å; L143-L257 CarbonylContact C-O 3.59Å; L143-L257 VanDerWaalsContact CA-O 3.31Å; L143-L257 WeakPolarHBondContact CA-O 3.47Å; L143-V258 HydrophobicContact CD2-CG2 3.81Å
144	L	79.1	Confident	83	Confident	66 Å²	66	64.7 Å²	64.7	35%	0.346	32%	0.315	S	S	.	.			trans	-81.3	123.2	169.2	-61.2	-177.3	0	0	0	109.7	K146 L257	L144-K146 VanDerWaalsContact C-N 3.28Å; L144-K146 HydrophobicContact CB-CG 4.46Å; L144-K146 PolarHBondContact O-N 2.85Å; L144-L257 HydrophobicContact CB-CB 4.47Å; L144-L257 HydrophobicContact CB-CD2 4.27Å; L144-L257 HydrophobicContact CB-CG 4.41Å; L144-L257 HydrophobicContact CD1-CD2 3.73Å; L144-L257 HydrophobicContact CD1-CG 4.07Å; L144-L257 PolarHBondContact N-O 3.08Å
145	R	77.2	Confident	82.5	Confident	187 Å²	187	64.8 Å²	64.8	71%	0.706	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-74.8	-14.3	-177.3	-62.4	-174.4	-178.3	-175.5	-0.5	114.1	F147 Q148 L151	R145-F147 PolarHBondContact O-N 3.01Å; R145-Q148 PolarHBondContact O-N 3.27Å; R145-L151 HydrophobicContact CB-CD1 4.1Å; R145-L151 WeakPolarHBondContact O-CD1 3.45Å
146	K	73.9	Confident	82.2	Confident	99 Å²	99	64.1 Å²	64.1	43%	0.43	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-59.4	-23.9	-168.8	59.6	161	167.6	163.2	0	114.6	L144 Q152 D388	L144-K146 VanDerWaalsContact C-N 3.28Å; L144-K146 HydrophobicContact CB-CG 4.46Å; L144-K146 PolarHBondContact O-N 2.85Å; K146-Q152 WeakPolarHBondContact O-CG 3.33Å; K146-Q152 PolarHBondContact O-NE2 2.86Å; K146-D388 IonicContact NZ-OD2 3.3Å; K146-D388 PolarHBondContact NZ-OD2 3.31Å
147	F	71	Confident	81.8	Confident	29 Å²	29	62.8 Å²	62.8	13%	0.127	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-106.2	9.6	-174.8	-68.5	-62.7	0	0	0	115	R145 L257 P288 E289	R145-F147 PolarHBondContact O-N 3.01Å; F147-L257 HydrophobicContact CD2-CB 4.19Å; F147-L257 HydrophobicContact CD2-CD2 3.36Å; F147-L257 HydrophobicContact CD2-CG 4.4Å; F147-L257 HydrophobicContact CE2-CD2 3.32Å; F147-P288 WeakPolarHBondContact CD1-O 3.35Å; F147-P288 WeakPolarHBondContact CE1-O 3.44Å; F147-E289 HydrophobicContact CB-CB 3.78Å; F147-E289 HydrophobicContact CD1-CB 4.26Å; F147-E289 HydrophobicContact CG-CB 4.01Å
148	Q	75.3	Confident	81.4	Confident	65 Å²	65	64.9 Å²	64.9	30%	0.304	31%	0.312	S	S	.	.			trans	-66.5	129.3	178.9	-71.6	-174.5	-31.3	0	0	111.4	R145 E150 L151 Q152	R145-Q148 PolarHBondContact O-N 3.27Å; Q148-E150 HydrophobicContact CB-CG 4.4Å; Q148-E150 PolarHBondContact O-N 3.45Å; Q148-E150 VanDerWaalsContact O-N 3.09Å; Q148-L151 HydrophobicContact CB-CB 4.28Å; Q148-L151 HydrophobicContact CB-CD1 4.03Å; Q148-L151 HydrophobicContact CB-CG 3.97Å; Q148-L151 PolarHBondContact O-N 3.34Å; Q148-L151 VanDerWaalsContact OE1-CD1 3.3Å; Q148-Q152 PolarHBondContact O-N 2.92Å
149	P	64.8	Low	81.2	Confident	4 Å²	4	71 Å²	71	3%	0.026	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.8	-178.8	-28.4	34.6	0	0	0	114.7	L151 F158 Y163 R164	P149-L151 VanDerWaalsContact C-N 3.35Å; P149-F158 WeakPolarHBondContact O-CA 3.45Å; P149-F158 VanDerWaalsContact O-CD2 3.31Å; P149-F158 WeakPolarHBondContact O-CD2 3.31Å; P149-Y163 HydrophobicContact CB-CE1 4.45Å; P149-Y163 HydrophobicContact CG-CE1 4.12Å; P149-R164 HydrophobicContact CB-CG 4.13Å
150	E	74.8	Confident	81.3	Confident	93 Å²	93	67.4 Å²	67.4	44%	0.435	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-13.8	177.7	62.5	-86.4	-161.5	0	0	114.3	Q148	Q148-E150 HydrophobicContact CB-CG 4.4Å; Q148-E150 PolarHBondContact O-N 3.45Å; Q148-E150 VanDerWaalsContact O-N 3.09Å
151	L	73.3	Confident	81.5	Confident	104 Å²	104	73.9 Å²	73.9	55%	0.545	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-15.9	-179	-60.6	-175.2	0	0	0	113.4	R145 Q148 P149	R145-L151 HydrophobicContact CB-CD1 4.1Å; R145-L151 WeakPolarHBondContact O-CD1 3.45Å; Q148-L151 HydrophobicContact CB-CB 4.28Å; Q148-L151 HydrophobicContact CB-CD1 4.03Å; Q148-L151 HydrophobicContact CB-CG 3.97Å; Q148-L151 PolarHBondContact O-N 3.34Å; Q148-L151 VanDerWaalsContact OE1-CD1 3.3Å; P149-L151 VanDerWaalsContact C-N 3.35Å
152	Q	77.1	Confident	82.2	Confident	32 Å²	32	76.5 Å²	76.5	15%	0.15	37%	0.372	C	S	.	.			trans	-111.8	110.2	-176.5	-74.1	-168	-14.3	0	0	111.7	K146 Q148 D154 H155 F158	K146-Q152 WeakPolarHBondContact O-CG 3.33Å; K146-Q152 PolarHBondContact O-NE2 2.86Å; Q148-Q152 PolarHBondContact O-N 2.92Å; Q152-D154 PolarHBondContact O-N 3.41Å; Q152-H155 HydrophobicContact CB-CB 3.69Å; Q152-H155 VanDerWaalsContact O-CB 3.3Å; Q152-H155 WeakPolarHBondContact O-CB 3.26Å; Q152-H155 PolarHBondContact O-N 3.31Å; Q152-H155 VanDerWaalsContact O-N 3.12Å; Q152-F158 VanDerWaalsContact O-CB 3.3Å; Q152-F158 WeakPolarHBondContact O-CB 3.42Å; Q152-F158 WeakPolarHBondContact O-CD2 3.42Å; Q152-F158 WeakPolarHBondContact O-CG 3.34Å
153	T	79.5	Confident	82.8	Confident	110 Å²	110	71.9 Å²	71.9	68%	0.675	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-22	-178.4	51.9	0	0	0	0	114.1	F158	T153-F158 HydrophobicContact CG2-CE1 4.02Å; T153-F158 HydrophobicContact CG2-CE2 4.03Å; T153-F158 HydrophobicContact CG2-CZ 3.74Å
154	D	83.6	Confident	83.2	Confident	111 Å²	111	72.9 Å²	72.9	59%	0.594	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-9.7	177.2	61.5	-37.1	0	0	0	113.4	Q152	Q152-D154 PolarHBondContact O-N 3.41Å
155	H	87.2	Confident	84	Confident	7 Å²	7	74.3 Å²	74.3	3%	0.032	36%	0.356	C	S	.	.	S	Bend	trans	-65.5	130.6	175.1	-174.9	-70.7	0	0	0	110	Q152 G157 F158 Y163 P288 E289	Q152-H155 HydrophobicContact CB-CB 3.69Å; Q152-H155 VanDerWaalsContact O-CB 3.3Å; Q152-H155 WeakPolarHBondContact O-CB 3.26Å; Q152-H155 PolarHBondContact O-N 3.31Å; Q152-H155 VanDerWaalsContact O-N 3.12Å; H155-G157 WeakPolarHBondContact ND1-CA 3.45Å; H155-G157 PolarHBondContact ND1-N 3.15Å; H155-G157 PolarHBondContact O-N 2.94Å; H155-G157 VanDerWaalsContact O-N 3.11Å; H155-F158 WeakPolarHBondContact O-CB 3.34Å; H155-F158 PolarHBondContact O-N 3Å; H155-Y163 AromaticContact CE1-CE1 3.6Å; H155-P288 WeakPolarHBondContact CD2-CG 3.48Å; H155-E289 IonicContact NE2-OE1 3.84Å
156	P	89.3	Confident	84.9	Confident	27 Å²	27	68.5 Å²	68.5	18%	0.175	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55.9	-35	-176.4	-29.3	37.5	0	0	0	114.6	F158 H280 R283	P156-F158 VanDerWaalsContact C-N 3.34Å; P156-F158 PolarHBondContact O-N 3.41Å; P156-H280 HydrophobicContact CB-CB 3.62Å; P156-H280 HydrophobicContact CG-CB 4.41Å; P156-R283 HydrophobicContact CG-CB 4.35Å; P156-R283 HydrophobicContact CG-CG 4.16Å
157	G	89.8	Confident	85.9	Confident	0 Å²	0	65 Å²	65	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-78.1	-0.8	174.6	0	0	0	0	0	116.3	H155 H159 D160 R164	H155-G157 WeakPolarHBondContact ND1-CA 3.45Å; H155-G157 PolarHBondContact ND1-N 3.15Å; H155-G157 PolarHBondContact O-N 2.94Å; H155-G157 VanDerWaalsContact O-N 3.11Å; G157-H159 VanDerWaalsContact C-N 3.26Å; G157-H159 PolarHBondContact O-N 3.22Å; G157-D160 PolarHBondContact O-N 2.96Å; G157-D160 VanDerWaalsContact O-N 3.09Å; G157-D160 VanDerWaalsContact O-O 3.09Å; G157-R164 PolarHBondContact O-NE 3.27Å
158	F	88	Confident	87	Confident	46 Å²	46	68.8 Å²	68.8	20%	0.202	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-61.9	-31.8	-175.5	-179.9	-97	0	0	0	113.5	P149 Q152 T153 H155 P156 R164	P149-F158 WeakPolarHBondContact O-CA 3.45Å; P149-F158 VanDerWaalsContact O-CD2 3.31Å; P149-F158 WeakPolarHBondContact O-CD2 3.31Å; Q152-F158 VanDerWaalsContact O-CB 3.3Å; Q152-F158 WeakPolarHBondContact O-CB 3.42Å; Q152-F158 WeakPolarHBondContact O-CD2 3.42Å; Q152-F158 WeakPolarHBondContact O-CG 3.34Å; T153-F158 HydrophobicContact CG2-CE1 4.02Å; T153-F158 HydrophobicContact CG2-CE2 4.03Å; T153-F158 HydrophobicContact CG2-CZ 3.74Å; H155-F158 WeakPolarHBondContact O-CB 3.34Å; H155-F158 PolarHBondContact O-N 3Å; P156-F158 VanDerWaalsContact C-N 3.34Å; P156-F158 PolarHBondContact O-N 3.41Å; F158-R164 PolarHBondContact O-NH1 3.22Å; F158-R164 PolarHBondContact O-NH2 2.78Å
159	H	89.7	Confident	88	Confident	164 Å²	164	68 Å²	68	76%	0.759	34%	0.34	S	S	*	.	S	Bend	trans	-100.7	-5.9	174.9	-69.5	-57.6	0	0	0	113.4	G157	G157-H159 VanDerWaalsContact C-N 3.26Å; G157-H159 PolarHBondContact O-N 3.22Å
160	D	94.3	Very high	89.5	Confident	43 Å²	43	68 Å²	68	23%	0.23	34%	0.34	C	S	.	.			trans	-94.2	110	-179.9	-167.5	-32.2	0	0	0	110.2	G157 V162 Y163 R164 H280	G157-D160 PolarHBondContact O-N 2.96Å; G157-D160 VanDerWaalsContact O-N 3.09Å; G157-D160 VanDerWaalsContact O-O 3.09Å; D160-V162 WeakPolarHBondContact OD1-CA 3.38Å; D160-V162 WeakPolarHBondContact OD1-CB 3.38Å; D160-V162 PolarHBondContact OD1-N 3.12Å; D160-Y163 PolarHBondContact OD1-N 2.74Å; D160-R164 PolarHBondContact O-N 3.01Å; D160-R164 PolarHBondContact O-NE 3.04Å; D160-H280 IonicContact OD2-NE2 3.28Å; D160-H280 PolarHBondContact OD2-NE2 3.06Å
161	K	94.7	Very high	90.4	Very high	137 Å²	137	64.4 Å²	64.4	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-74.5	-35.5	178.2	-168.7	178.3	-174.7	-98.9	0	111.8	R164 E165	K161-R164 PolarHBondContact O-N 2.9Å; K161-E165 WeakPolarHBondContact CE-OE1 3.47Å; K161-E165 IonicContact NZ-OE1 2.69Å; K161-E165 PolarHBondContact NZ-OE1 2.81Å; K161-E165 WeakPolarHBondContact O-CG 3.42Å; K161-E165 PolarHBondContact O-N 3.41Å
162	V	96.3	Very high	91.4	Very high	108 Å²	108	64.2 Å²	64.2	66%	0.655	32%	0.32	S	S	*	.	H	α-helix	trans	-67.3	-44.9	-178.3	178.8	0	0	0	0	109.6	D160 R164 E165 R166	D160-V162 WeakPolarHBondContact OD1-CA 3.38Å; D160-V162 WeakPolarHBondContact OD1-CB 3.38Å; D160-V162 PolarHBondContact OD1-N 3.12Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 3.19Å; V162-E165 PolarHBondContact O-N 3.18Å; V162-R166 WeakPolarHBondContact O-CB 3.25Å; V162-R166 PolarHBondContact O-N 3.29Å
163	Y	95.5	Very high	92.3	Very high	25 Å²	25	64 Å²	64	10%	0.098	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-42.8	174.2	178.9	-96	0	0	0	112.1	P149 H155 D160 R166 R167 I278 H280	P149-Y163 HydrophobicContact CB-CE1 4.45Å; P149-Y163 HydrophobicContact CG-CE1 4.12Å; H155-Y163 AromaticContact CE1-CE1 3.6Å; D160-Y163 PolarHBondContact OD1-N 2.74Å; Y163-R166 WeakPolarHBondContact O-CB 3.44Å; Y163-R166 PolarHBondContact O-N 2.91Å; Y163-R167 HydrophobicContact CD1-CG 4.09Å; Y163-R167 HydrophobicContact CE1-CG 3.7Å; Y163-R167 HydrophobicContact CE2-CG 4.48Å; Y163-R167 WeakPolarHBondContact O-CG 3.43Å; Y163-R167 PolarHBondContact O-N 2.99Å; Y163-R167 PolarHBondContact OH-NH1 2.94Å; Y163-I278 WeakPolarHBondContact CE2-O 3.47Å; Y163-I278 PolarHBondContact OH-O 3.36Å; Y163-H280 AromaticContact CD2-CD2 3.64Å; Y163-H280 HydrophobicContact CE2-CB 4.16Å; Y163-H280 AromaticContact CG-CD2 3.66Å
164	R	93.2	Very high	93	Very high	73 Å²	73	59 Å²	59	28%	0.275	29%	0.29	S	S	.	.	H	α-helix	trans	-65.9	-44.2	178	-80.3	179.6	-80.1	-178.1	-6.8	113	P149 G157 F158 D160 K161 V162 R166 R167 E168	P149-R164 HydrophobicContact CB-CG 4.13Å; G157-R164 PolarHBondContact O-NE 3.27Å; F158-R164 PolarHBondContact O-NH1 3.22Å; F158-R164 PolarHBondContact O-NH2 2.78Å; D160-R164 PolarHBondContact O-N 3.01Å; D160-R164 PolarHBondContact O-NE 3.04Å; K161-R164 PolarHBondContact O-N 2.9Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 3.19Å; R164-R166 VanDerWaalsContact C-N 3.26Å; R164-R166 PolarHBondContact O-N 2.92Å; R164-R167 WeakPolarHBondContact O-CB 3.42Å; R164-R167 PolarHBondContact O-N 3.08Å; R164-E168 PolarHBondContact O-N 3.03Å
165	E	95.8	Very high	93.5	Very high	97 Å²	97	58.9 Å²	58.9	45%	0.453	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-38.8	174.6	-73	172.7	-176.1	0	0	111.2	K161 V162 E168 A169	K161-E165 WeakPolarHBondContact CE-OE1 3.47Å; K161-E165 IonicContact NZ-OE1 2.69Å; K161-E165 PolarHBondContact NZ-OE1 2.81Å; K161-E165 WeakPolarHBondContact O-CG 3.42Å; K161-E165 PolarHBondContact O-N 3.41Å; V162-E165 PolarHBondContact O-N 3.18Å; E165-E168 PolarHBondContact O-N 2.97Å; E165-A169 WeakPolarHBondContact O-CB 3.05Å; E165-A169 PolarHBondContact O-N 2.71Å
166	R	96.6	Very high	93.9	Very high	65 Å²	65	65.4 Å²	65.4	25%	0.245	32%	0.315	C	S	.	.	H	α-helix	trans	-63.6	-43.9	174.2	-179	55.3	175.3	177.2	-2.8	112.2	V162 Y163 R164 A169 I170 E187 E192	V162-R166 WeakPolarHBondContact O-CB 3.25Å; V162-R166 PolarHBondContact O-N 3.29Å; Y163-R166 WeakPolarHBondContact O-CB 3.44Å; Y163-R166 PolarHBondContact O-N 2.91Å; R164-R166 VanDerWaalsContact C-N 3.26Å; R164-R166 PolarHBondContact O-N 2.92Å; R166-A169 PolarHBondContact O-N 3.48Å; R166-I170 HydrophobicContact CG-CD1 4.5Å; R166-I170 PolarHBondContact O-N 3.31Å; R166-I170 VanDerWaalsContact O-N 3.12Å; R166-E187 PolarHBondContact NH2-O 3.18Å; R166-E192 WeakPolarHBondContact CG-OE1 3.3Å; R166-E192 IonicContact CZ-OE1 2.84Å; R166-E192 IonicContact CZ-OE2 2.72Å; R166-E192 IonicContact NE-OE1 2.77Å; R166-E192 PolarHBondContact NE-OE1 3.36Å; R166-E192 IonicContact NE-OE2 3.18Å; R166-E192 PolarHBondContact NE-OE2 3.35Å; R166-E192 IonicContact NH2-OE1 3.17Å; R166-E192 IonicContact NH2-OE2 3.37Å; R166-E192 PolarHBondContact NH2-OE2 3.44Å
167	R	94.2	Very high	94.2	Very high	24 Å²	24	65.4 Å²	65.4	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-44.3	174.2	-74.5	-68.4	-65.9	-85.2	-3.3	112.3	Y163 R164 A169 I170 A171 Y277 E289	Y163-R167 HydrophobicContact CD1-CG 4.09Å; Y163-R167 HydrophobicContact CE1-CG 3.7Å; Y163-R167 HydrophobicContact CE2-CG 4.48Å; Y163-R167 WeakPolarHBondContact O-CG 3.43Å; Y163-R167 PolarHBondContact O-N 2.99Å; Y163-R167 PolarHBondContact OH-NH1 2.94Å; R164-R167 WeakPolarHBondContact O-CB 3.42Å; R164-R167 PolarHBondContact O-N 3.08Å; R167-A169 PolarHBondContact O-N 2.68Å; R167-I170 PolarHBondContact O-N 2.89Å; R167-A171 WeakPolarHBondContact O-CB 3.21Å; R167-A171 PolarHBondContact O-N 2.81Å; R167-Y277 VanDerWaalsContact CD-CG 3.41Å; R167-Y277 VanDerWaalsContact NE-CD1 3.27Å; R167-E289 IonicContact CZ-OE1 3.74Å; R167-E289 IonicContact CZ-OE2 3.53Å; R167-E289 IonicContact NH1-OE1 3.8Å; R167-E289 PolarHBondContact NH1-OE1 3.23Å; R167-E289 IonicContact NH2-OE1 2.85Å; R167-E289 PolarHBondContact NH2-OE1 2.93Å; R167-E289 IonicContact NH2-OE2 3.77Å; R167-E289 PolarHBondContact NH2-OE2 3.31Å
168	E	94	Very high	94.5	Very high	110 Å²	110	69.2 Å²	69.2	51%	0.514	33%	0.328	S	S	.	.	H	α-helix	trans	-63.7	-41.1	177.9	-164	-162.7	139.1	0	0	111.7	R164 E165 I170 A171 K172	R164-E168 PolarHBondContact O-N 3.03Å; E165-E168 PolarHBondContact O-N 2.97Å; E168-I170 PolarHBondContact O-N 2.79Å; E168-A171 PolarHBondContact O-N 2.98Å; E168-K172 WeakPolarHBondContact O-CG 3.38Å; E168-K172 PolarHBondContact O-N 3.03Å; E168-K172 VanDerWaalsContact O-N 3.07Å; E168-K172 WeakPolarHBondContact OE1-CE 3.47Å; E168-K172 IonicContact OE1-NZ 2.71Å; E168-K172 PolarHBondContact OE1-NZ 3.41Å
169	A	96.3	Very high	94.9	Very high	47 Å²	47	71.4 Å²	71.4	39%	0.388	34%	0.336	S	S	.	.	H	α-helix	trans	-60.7	-43.7	176.5	0	0	0	0	0	112.2	E165 R166 R167	E165-A169 WeakPolarHBondContact O-CB 3.05Å; E165-A169 PolarHBondContact O-N 2.71Å; R166-A169 PolarHBondContact O-N 3.48Å; R167-A169 PolarHBondContact O-N 2.68Å
170	I	96.6	Very high	95.1	Very high	6 Å²	6	66.8 Å²	66.8	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-68.7	-41.6	175.9	-66.7	175	0	0	0	110.9	R166 R167 E168 K172 I173 V186 Q276	R166-I170 HydrophobicContact CG-CD1 4.5Å; R166-I170 PolarHBondContact O-N 3.31Å; R166-I170 VanDerWaalsContact O-N 3.12Å; R167-I170 PolarHBondContact O-N 2.89Å; E168-I170 PolarHBondContact O-N 2.79Å; I170-K172 PolarHBondContact O-N 2.82Å; I170-I173 VanDerWaalsContact O-CB 3.31Å; I170-I173 WeakPolarHBondContact O-CB 3.29Å; I170-I173 PolarHBondContact O-N 2.85Å; I170-V186 HydrophobicContact CD1-CG1 4.27Å; I170-V186 HydrophobicContact CG1-CG1 4.34Å; I170-Q276 HydrophobicContact CG2-CB 3.54Å
171	A	93.4	Very high	95.3	Very high	16 Å²	16	68.6 Å²	68.6	13%	0.132	34%	0.342	C	S	.	.	H	α-helix	trans	-59.6	-33.1	178.6	0	0	0	0	0	112.8	R167 E168 I173 A174 F175 A255	R167-A171 WeakPolarHBondContact O-CB 3.21Å; R167-A171 PolarHBondContact O-N 2.81Å; E168-A171 PolarHBondContact O-N 2.98Å; A171-I173 VanDerWaalsContact C-N 3.25Å; A171-I173 PolarHBondContact O-N 2.73Å; A171-A174 PolarHBondContact O-N 2.98Å; A171-A174 VanDerWaalsContact O-N 3.14Å; A171-F175 HydrophobicContact CB-CD2 4.36Å; A171-F175 HydrophobicContact CB-CE2 4.03Å; A171-F175 WeakPolarHBondContact O-CD2 3.06Å; A171-F175 PolarHBondContact O-N 2.81Å; A171-A255 HydrophobicContact CB-CB 3.85Å
172	K	95.4	Very high	95.4	Very high	100 Å²	100	68.5 Å²	68.5	44%	0.435	34%	0.338	S	S	.	.	H	α-helix	trans	-57.9	-36	175	-75.8	166.6	-176.2	160.8	0	112.6	E168 I170 F175 Q176	E168-K172 WeakPolarHBondContact O-CG 3.38Å; E168-K172 PolarHBondContact O-N 3.03Å; E168-K172 VanDerWaalsContact O-N 3.07Å; E168-K172 WeakPolarHBondContact OE1-CE 3.47Å; E168-K172 IonicContact OE1-NZ 2.71Å; E168-K172 PolarHBondContact OE1-NZ 3.41Å; I170-K172 PolarHBondContact O-N 2.82Å; K172-F175 PolarHBondContact O-N 3.16Å; K172-Q176 WeakPolarHBondContact O-CB 3.23Å; K172-Q176 VanDerWaalsContact O-CG 3.25Å; K172-Q176 WeakPolarHBondContact O-CG 3.26Å; K172-Q176 PolarHBondContact O-N 3.05Å
173	I	95.4	Very high	95.5	Very high	29 Å²	29	63.4 Å²	63.4	15%	0.149	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-50.4	175.2	-64.3	171.5	0	0	0	109.9	I170 A171 F175 Q176 Y177 P184 V186	I170-I173 VanDerWaalsContact O-CB 3.31Å; I170-I173 WeakPolarHBondContact O-CB 3.29Å; I170-I173 PolarHBondContact O-N 2.85Å; A171-I173 VanDerWaalsContact C-N 3.25Å; A171-I173 PolarHBondContact O-N 2.73Å; I173-F175 PolarHBondContact O-N 2.84Å; I173-Q176 PolarHBondContact O-N 2.64Å; I173-Y177 WeakPolarHBondContact O-CB 3.38Å; I173-Y177 PolarHBondContact O-N 3.16Å; I173-P184 HydrophobicContact CG1-CB 4.48Å; I173-P184 HydrophobicContact CG2-CB 3.87Å; I173-P184 HydrophobicContact CG2-CG 3.76Å; I173-V186 HydrophobicContact CD1-CG2 3.59Å
174	A	94.3	Very high	95.6	Very high	4 Å²	4	65.1 Å²	65.1	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-38.7	-179	0	0	0	0	0	113.4	A171 P253 V254 A255	A171-A174 PolarHBondContact O-N 2.98Å; A171-A174 VanDerWaalsContact O-N 3.14Å; A174-P253 HydrophobicContact CB-CB 4.28Å; A174-V254 VanDerWaalsContact CB-C 3.46Å; A174-A255 HydrophobicContact CB-CB 4Å
175	F	92.9	Very high	95.8	Very high	109 Å²	109	67.6 Å²	67.6	48%	0.478	34%	0.336	S	S	.	.	H	α-helix	trans	-69	-34.2	176.8	-70.3	-57.1	0	0	0	113	L143 A171 K172 I173 K178 A255	L143-F175 HydrophobicContact CD1-CE1 3.87Å; L143-F175 HydrophobicContact CD1-CZ 3.71Å; A171-F175 HydrophobicContact CB-CD2 4.36Å; A171-F175 HydrophobicContact CB-CE2 4.03Å; A171-F175 WeakPolarHBondContact O-CD2 3.06Å; A171-F175 PolarHBondContact O-N 2.81Å; K172-F175 PolarHBondContact O-N 3.16Å; I173-F175 PolarHBondContact O-N 2.84Å; F175-K178 PolarHBondContact O-NZ 2.89Å; F175-K178 VanDerWaalsContact O-NZ 3.11Å; F175-A255 HydrophobicContact CD2-CB 4.4Å; F175-A255 HydrophobicContact CE1-CB 4.2Å; F175-A255 HydrophobicContact CE2-CB 3.85Å; F175-A255 HydrophobicContact CZ-CB 3.73Å
176	Q	95.5	Very high	95.9	Very high	144 Å²	144	63.3 Å²	63.3	67%	0.673	32%	0.316	S	S	*	.	H	α-helix	trans	-79.2	-30.1	-179.9	-72.1	175.3	-8.6	0	0	112.8	K172 I173 K178	K172-Q176 WeakPolarHBondContact O-CB 3.23Å; K172-Q176 VanDerWaalsContact O-CG 3.25Å; K172-Q176 WeakPolarHBondContact O-CG 3.26Å; K172-Q176 PolarHBondContact O-N 3.05Å; I173-Q176 PolarHBondContact O-N 2.64Å; Q176-K178 PolarHBondContact O-N 2.76Å
177	Y	96.7	Very high	96	Very high	27 Å²	27	68.8 Å²	68.8	11%	0.106	35%	0.345	C	S	.	.			trans	-56	135.2	179.7	-176.6	-91.8	0	0	0	112.7	I173 D181 I183 R252 P253	I173-Y177 WeakPolarHBondContact O-CB 3.38Å; I173-Y177 PolarHBondContact O-N 3.16Å; Y177-D181 HydrophobicContact CD2-CB 3.99Å; Y177-D181 HydrophobicContact CE2-CB 3.95Å; Y177-D181 WeakPolarHBondContact CE2-O 3.44Å; Y177-I183 HydrophobicContact CD2-CG1 4.41Å; Y177-I183 HydrophobicContact CE2-CB 4.43Å; Y177-I183 HydrophobicContact CE2-CG1 3.69Å; Y177-R252 HydrophobicContact CD1-CG 4.09Å; Y177-R252 HydrophobicContact CE1-CG 3.91Å; Y177-P253 HydrophobicContact CD1-CG 3.95Å; Y177-P253 HydrophobicContact CD2-CG 3.72Å; Y177-P253 HydrophobicContact CE2-CG 4.31Å; Y177-P253 HydrophobicContact CG-CG 3.51Å
178	K	96.7	Very high	96.1	Very high	80 Å²	80	68.7 Å²	68.7	35%	0.348	35%	0.345	S	S	.	.			trans	-129.5	160.9	172.6	-61.9	-70	161.5	-91.1	0	110.6	D138 F175 Q176 G180 D181	D138-K178 HydrophobicContact CB-CD 4.24Å; D138-K178 WeakPolarHBondContact OD2-CD 3.39Å; F175-K178 PolarHBondContact O-NZ 2.89Å; F175-K178 VanDerWaalsContact O-NZ 3.11Å; Q176-K178 PolarHBondContact O-N 2.76Å; K178-G180 PolarHBondContact O-N 3.1Å; K178-D181 PolarHBondContact N-OD2 2.84Å; K178-D181 WeakPolarHBondContact O-CB 3.35Å; K178-D181 PolarHBondContact O-N 3.31Å; K178-D181 VanDerWaalsContact O-N 3.1Å
179	Y	95.4	Very high	96.3	Very high	91 Å²	91	66.4 Å²	66.4	36%	0.357	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	130.9	175.3	168.5	-96.5	0	0	0	110.9	I134 D138 E428	I134-Y179 HydrophobicContact CB-CE2 4.23Å; I134-Y179 HydrophobicContact CD1-CE2 4.12Å; I134-Y179 HydrophobicContact CG1-CD2 4.11Å; I134-Y179 HydrophobicContact CG1-CE2 4.02Å; I134-Y179 HydrophobicContact CG2-CD2 3.88Å; I134-Y179 HydrophobicContact CG2-CE1 4.38Å; I134-Y179 HydrophobicContact CG2-CE2 3.26Å; D138-Y179 PolarHBondContact OD1-N 3.48Å; D138-Y179 PolarHBondContact OD2-N 3.28Å; D138-Y179 VanDerWaalsContact OD2-N 3.11Å; Y179-E428 PolarHBondContact OH-OE2 2.95Å
180	G	94.7	Very high	96.4	Very high	67 Å²	67	71.6 Å²	71.6	69%	0.691	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.3	-14.7	-176.9	0	0	0	0	0	114.3	K178	K178-G180 PolarHBondContact O-N 3.1Å
181	D	97.4	Very high	96.5	Very high	81 Å²	81	75.7 Å²	75.7	43%	0.433	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-72.8	150.5	175.3	-66.2	-24.8	0	0	0	111.6	Y177 K178	Y177-D181 HydrophobicContact CD2-CB 3.99Å; Y177-D181 HydrophobicContact CE2-CB 3.95Å; Y177-D181 WeakPolarHBondContact CE2-O 3.44Å; K178-D181 PolarHBondContact N-OD2 2.84Å; K178-D181 WeakPolarHBondContact O-CB 3.35Å; K178-D181 PolarHBondContact O-N 3.31Å; K178-D181 VanDerWaalsContact O-N 3.1Å
182	R	97.9	Very high	96.7	Very high	135 Å²	135	75.8 Å²	75.8	51%	0.509	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-74.8	134.8	163	-173.8	180	171.2	78.8	2	108.4	P184 E185 Q237 E241	R182-P184 VanDerWaalsContact O-CD 3.23Å; R182-P184 WeakPolarHBondContact O-CD 3.35Å; R182-E185 IonicContact NH2-OE1 3.79Å; R182-Q237 HydrophobicContact CG-CG 3.68Å; R182-E241 IonicContact CZ-OE1 3.32Å; R182-E241 IonicContact NH1-OE1 3.2Å; R182-E241 PolarHBondContact NH1-OE1 3.25Å
183	I	97.9	Very high	96.9	Very high	2 Å²	2	73.4 Å²	73.4	1%	0.01	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.2	120.9	176.4	-53	171.3	0	0	0	108.7	Y177 L236 Q237 C240 I251 P253	Y177-I183 HydrophobicContact CD2-CG1 4.41Å; Y177-I183 HydrophobicContact CE2-CB 4.43Å; Y177-I183 HydrophobicContact CE2-CG1 3.69Å; I183-L236 HydrophobicContact CD1-CB 3.93Å; I183-L236 HydrophobicContact CG2-CB 3.99Å; I183-L236 HydrophobicContact CG2-CD1 4.43Å; I183-Q237 HydrophobicContact CB-CB 4.13Å; I183-C240 HydrophobicContact CD1-CB 4.11Å; I183-I251 HydrophobicContact CD1-CB 4.23Å; I183-I251 HydrophobicContact CD1-CG2 4.21Å; I183-I251 WeakPolarHBondContact CD1-O 3.21Å; I183-P253 HydrophobicContact CG2-CB 4.26Å; I183-P253 HydrophobicContact CG2-CG 4.08Å
184	P	97.4	Very high	97	Very high	61 Å²	61	77.4 Å²	77.4	40%	0.396	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-61.6	139.3	178.1	-26.2	37.3	0	0	0	112.3	I173 R182 Q276	I173-P184 HydrophobicContact CG1-CB 4.48Å; I173-P184 HydrophobicContact CG2-CB 3.87Å; I173-P184 HydrophobicContact CG2-CG 3.76Å; R182-P184 VanDerWaalsContact O-CD 3.23Å; R182-P184 WeakPolarHBondContact O-CD 3.35Å; P184-Q276 PolarHBondContact O-NE2 3.32Å
185	E	97.4	Very high	97.2	Very high	124 Å²	124	77.7 Å²	77.7	58%	0.579	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-71.9	144.6	175.6	-67.3	-177.3	-172.5	0	0	111	R182 Q235	R182-E185 IonicContact NH2-OE1 3.79Å; E185-Q235 VanDerWaalsContact CA-OE1 3.27Å; E185-Q235 HydrophobicContact CG-CG 4.2Å
186	V	97.8	Very high	97.5	Very high	7 Å²	7	72.5 Å²	72.5	4%	0.042	36%	0.357	C	S	.	.			trans	-105.2	120.1	174.3	174.7	0	0	0	0	108.6	I170 I173 Y188 Q235 Q276	I170-V186 HydrophobicContact CD1-CG1 4.27Å; I170-V186 HydrophobicContact CG1-CG1 4.34Å; I173-V186 HydrophobicContact CD1-CG2 3.59Å; V186-Y188 HydrophobicContact CB-CD2 4.32Å; V186-Y188 HydrophobicContact CB-CE1 4.31Å; V186-Y188 HydrophobicContact CB-CE2 3.87Å; V186-Y188 HydrophobicContact CG1-CD1 3.86Å; V186-Y188 HydrophobicContact CG1-CD2 4.18Å; V186-Y188 HydrophobicContact CG1-CE1 3.67Å; V186-Y188 HydrophobicContact CG1-CE2 4.01Å; V186-Y188 HydrophobicContact CG1-CG 4.11Å; V186-Y188 VanDerWaalsContact O-CD2 3.28Å; V186-Y188 WeakPolarHBondContact O-CD2 3.48Å; V186-Y188 PolarHBondContact O-N 3.2Å; V186-Y188 VanDerWaalsContact O-N 3.1Å; V186-Q235 PolarHBondContact O-NE2 3.29Å; V186-Q276 HydrophobicContact CG2-CB 4.33Å; V186-Q276 VanDerWaalsContact CG2-NE2 3.26Å
187	E	97.7	Very high	97.6	Very high	180 Å²	180	66 Å²	66	84%	0.841	33%	0.329	S	S	*	.			trans	-74.6	95.6	168.5	-172.6	178.5	-178.8	0	0	108.6	R166	R166-E187 PolarHBondContact NH2-O 3.18Å
188	Y	98.3	Very high	97.7	Very high	23 Å²	23	69.4 Å²	69.4	9%	0.09	35%	0.348	C	S	.	.			trans	-73.4	137.5	179.2	-69.1	-76.4	0	0	0	111.5	V186 E192 I233 Q276	V186-Y188 HydrophobicContact CB-CD2 4.32Å; V186-Y188 HydrophobicContact CB-CE1 4.31Å; V186-Y188 HydrophobicContact CB-CE2 3.87Å; V186-Y188 HydrophobicContact CG1-CD1 3.86Å; V186-Y188 HydrophobicContact CG1-CD2 4.18Å; V186-Y188 HydrophobicContact CG1-CE1 3.67Å; V186-Y188 HydrophobicContact CG1-CE2 4.01Å; V186-Y188 HydrophobicContact CG1-CG 4.11Å; V186-Y188 VanDerWaalsContact O-CD2 3.28Å; V186-Y188 WeakPolarHBondContact O-CD2 3.48Å; V186-Y188 PolarHBondContact O-N 3.2Å; V186-Y188 VanDerWaalsContact O-N 3.1Å; Y188-E192 VanDerWaalsContact CA-OE2 3.29Å; Y188-E192 WeakPolarHBondContact CA-OE2 3.32Å; Y188-E192 HydrophobicContact CD1-CB 4.3Å; Y188-I233 HydrophobicContact CD1-CB 4.5Å; Y188-I233 HydrophobicContact CD1-CD1 3.52Å; Y188-I233 HydrophobicContact CD2-CB 3.63Å; Y188-I233 HydrophobicContact CD2-CD1 4.17Å; Y188-I233 HydrophobicContact CD2-CG1 4.42Å; Y188-I233 HydrophobicContact CD2-CG2 3.95Å; Y188-I233 HydrophobicContact CE1-CD1 3.92Å; Y188-I233 HydrophobicContact CE1-CG2 4.19Å; Y188-I233 HydrophobicContact CE2-CB 3.72Å; Y188-I233 HydrophobicContact CE2-CG2 3.46Å; Y188-I233 VanDerWaalsContact CE2-CG2 3.46Å; Y188-I233 HydrophobicContact CG-CB 4.04Å; Y188-I233 HydrophobicContact CG-CD1 3.66Å; Y188-I233 HydrophobicContact CG-CG1 4.34Å; Y188-I233 HydrophobicContact CG-CG2 4.48Å; Y188-Q276 VanDerWaalsContact CE1-O 3.31Å; Y188-Q276 WeakPolarHBondContact CE1-O 3.37Å; Y188-Q276 PolarHBondContact OH-O 3.46Å
189	T	98	Very high	97.7	Very high	62 Å²	62	65.6 Å²	65.6	38%	0.38	33%	0.332	S	S	.	.			trans	-73.7	162.9	177.9	76.5	0	0	0	0	111.1	E191 E192 I193	T189-E191 VanDerWaalsContact C-N 3.28Å; T189-E191 PolarHBondContact O-N 3.29Å; T189-E192 PolarHBondContact N-OE2 3.09Å; T189-E192 PolarHBondContact O-N 2.86Å; T189-E192 VanDerWaalsContact OG1-CG 3.31Å; T189-E192 WeakPolarHBondContact OG1-CG 3.3Å; T189-E192 PolarHBondContact OG1-N 3.25Å; T189-I193 WeakPolarHBondContact O-CG1 3.27Å; T189-I193 PolarHBondContact O-N 3.27Å
190	K	98.1	Very high	97.8	Very high	156 Å²	156	61.7 Å²	61.7	68%	0.678	32%	0.317	S	S	*	.	H	α-helix	trans	-56.3	-41.1	175.5	-179	175.7	170.3	-179.4	0	112.7	I193 E194	K190-I193 PolarHBondContact O-N 3.31Å; K190-E194 WeakPolarHBondContact CE-OE1 3.39Å; K190-E194 HydrophobicContact CG-CG 4.49Å; K190-E194 IonicContact NZ-OE1 3.78Å; K190-E194 WeakPolarHBondContact O-CB 3.14Å; K190-E194 WeakPolarHBondContact O-CG 3.43Å; K190-E194 PolarHBondContact O-N 3.17Å
191	E	97.9	Very high	97.9	Very high	92 Å²	92	62.4 Å²	62.4	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-68.1	-36.8	179.5	-176.4	175.8	-106.6	0	0	112.2	T189 E194 T195 H281	T189-E191 VanDerWaalsContact C-N 3.28Å; T189-E191 PolarHBondContact O-N 3.29Å; E191-E194 PolarHBondContact O-N 2.69Å; E191-T195 WeakPolarHBondContact O-CB 3.27Å; E191-T195 PolarHBondContact O-N 2.8Å; E191-T195 PolarHBondContact O-OG1 3.34Å; E191-H281 HydrophobicContact CG-CB 3.57Å; E191-H281 IonicContact OE1-CD2 3.35Å; E191-H281 IonicContact OE1-CE1 3.76Å; E191-H281 PolarHBondContact OE1-CE1 2.9Å; E191-H281 VanDerWaalsContact OE1-CE1 3.3Å; E191-H281 IonicContact OE1-CG 3.53Å; E191-H281 IonicContact OE1-ND1 3.4Å; E191-H281 PolarHBondContact OE1-ND1 3.25Å; E191-H281 VanDerWaalsContact OE1-ND1 3.08Å; E191-H281 IonicContact OE1-NE2 3.08Å; E191-H281 IonicContact OE2-CD2 3.76Å; E191-H281 PolarHBondContact OE2-CD2 3.1Å; E191-H281 IonicContact OE2-CG 3.18Å; E191-H281 IonicContact OE2-NE2 3.84Å
192	E	98.5	Very high	97.8	Very high	17 Å²	17	62.4 Å²	62.4	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-44.9	173.6	-66.4	174.2	147.7	0	0	110.3	R166 Y188 T189 E194 T195 W196 I233 I278	R166-E192 WeakPolarHBondContact CG-OE1 3.3Å; R166-E192 IonicContact CZ-OE1 2.84Å; R166-E192 IonicContact CZ-OE2 2.72Å; R166-E192 IonicContact NE-OE1 2.77Å; R166-E192 PolarHBondContact NE-OE1 3.36Å; R166-E192 IonicContact NE-OE2 3.18Å; R166-E192 PolarHBondContact NE-OE2 3.35Å; R166-E192 IonicContact NH2-OE1 3.17Å; R166-E192 IonicContact NH2-OE2 3.37Å; R166-E192 PolarHBondContact NH2-OE2 3.44Å; Y188-E192 VanDerWaalsContact CA-OE2 3.29Å; Y188-E192 WeakPolarHBondContact CA-OE2 3.32Å; Y188-E192 HydrophobicContact CD1-CB 4.3Å; T189-E192 PolarHBondContact N-OE2 3.09Å; T189-E192 PolarHBondContact O-N 2.86Å; T189-E192 VanDerWaalsContact OG1-CG 3.31Å; T189-E192 WeakPolarHBondContact OG1-CG 3.3Å; T189-E192 PolarHBondContact OG1-N 3.25Å; E192-E194 PolarHBondContact O-N 2.84Å; E192-T195 WeakPolarHBondContact O-CB 3.41Å; E192-T195 PolarHBondContact O-N 2.81Å; E192-W196 PolarHBondContact O-N 3.14Å; E192-I233 HydrophobicContact CB-CD1 4.21Å; E192-I278 HydrophobicContact CB-CG2 3.81Å; E192-I278 HydrophobicContact CG-CG2 3.56Å; E192-I278 VanDerWaalsContact O-CD1 3.31Å; E192-I278 WeakPolarHBondContact O-CD1 3.18Å
193	I	98.6	Very high	97.8	Very high	51 Å²	51	56 Å²	56	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-63.4	-42.3	177.3	-66.7	165.8	0	0	0	111.4	T189 K190 W196 G197 E231	T189-I193 WeakPolarHBondContact O-CG1 3.27Å; T189-I193 PolarHBondContact O-N 3.27Å; K190-I193 PolarHBondContact O-N 3.31Å; I193-W196 WeakPolarHBondContact O-CB 2.93Å; I193-W196 PolarHBondContact O-N 3.34Å; I193-G197 PolarHBondContact O-N 2.86Å; I193-E231 WeakPolarHBondContact CG2-O 3.29Å
194	E	98.4	Very high	97.7	Very high	113 Å²	113	60 Å²	60	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-41.2	176.3	-75.8	174	178.9	0	0	111.9	K190 E191 E192 G197 L198	K190-E194 WeakPolarHBondContact CE-OE1 3.39Å; K190-E194 HydrophobicContact CG-CG 4.49Å; K190-E194 IonicContact NZ-OE1 3.78Å; K190-E194 WeakPolarHBondContact O-CB 3.14Å; K190-E194 WeakPolarHBondContact O-CG 3.43Å; K190-E194 PolarHBondContact O-N 3.17Å; E191-E194 PolarHBondContact O-N 2.69Å; E192-E194 PolarHBondContact O-N 2.84Å; E194-G197 PolarHBondContact O-N 3.3Å; E194-L198 PolarHBondContact O-N 2.7Å
195	T	98.2	Very high	97.5	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-47.4	175.2	-61.4	0	0	0	0	111	E191 E192 V199 I278 R279 H281 P284	E191-T195 WeakPolarHBondContact O-CB 3.27Å; E191-T195 PolarHBondContact O-N 2.8Å; E191-T195 PolarHBondContact O-OG1 3.34Å; E192-T195 WeakPolarHBondContact O-CB 3.41Å; E192-T195 PolarHBondContact O-N 2.81Å; T195-V199 WeakPolarHBondContact O-CG2 3.41Å; T195-V199 PolarHBondContact O-N 3.02Å; T195-I278 HydrophobicContact CG2-CD1 3.85Å; T195-I278 HydrophobicContact CG2-CG1 4.1Å; T195-R279 HydrophobicContact CG2-CG 4.2Å; T195-H281 WeakPolarHBondContact OG1-CA 3.25Å; T195-H281 WeakPolarHBondContact OG1-CB 3.29Å; T195-P284 HydrophobicContact CG2-CB 4.04Å
196	W	98.4	Very high	97.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-51.7	174.1	164.5	-92.9	0	0	0	111.8	E192 I193 L198 V199 F200 N229 S232 I233 P234 I278 I293 L296 I297	E192-W196 PolarHBondContact O-N 3.14Å; I193-W196 WeakPolarHBondContact O-CB 2.93Å; I193-W196 PolarHBondContact O-N 3.34Å; W196-L198 VanDerWaalsContact C-N 3.28Å; W196-L198 PolarHBondContact O-N 2.73Å; W196-V199 PolarHBondContact O-N 3.11Å; W196-V199 VanDerWaalsContact O-N 3.17Å; W196-F200 AromaticContact CE2-CD2 3.9Å; W196-F200 HydrophobicContact CH2-CD2 4.3Å; W196-F200 AromaticContact CZ2-CD2 3.54Å; W196-F200 HydrophobicContact CZ2-CD2 3.54Å; W196-F200 HydrophobicContact CZ2-CE2 4.1Å; W196-F200 HydrophobicContact CZ2-CG 4.46Å; W196-F200 VanDerWaalsContact O-CB 3.23Å; W196-F200 WeakPolarHBondContact O-CB 3.35Å; W196-F200 PolarHBondContact O-N 2.71Å; W196-N229 PolarHBondContact NE1-O 2.86Å; W196-S232 PolarHBondContact NE1-O 2.77Å; W196-S232 VanDerWaalsContact NE1-O 3.09Å; W196-I233 HydrophobicContact CB-CD1 3.89Å; W196-I233 HydrophobicContact CB-CG1 3.51Å; W196-I233 HydrophobicContact CD2-CG1 3.88Å; W196-I233 HydrophobicContact CE3-CG1 4.26Å; W196-I233 HydrophobicContact CE3-CG2 4.48Å; W196-I233 HydrophobicContact CG-CD1 4.42Å; W196-I233 HydrophobicContact CG-CG1 3.52Å; W196-P234 HydrophobicContact CH2-CG 4.24Å; W196-P234 VanDerWaalsContact CZ2-CD 3.44Å; W196-P234 HydrophobicContact CZ2-CG 3.99Å; W196-I278 HydrophobicContact CB-CD1 3.88Å; W196-I293 HydrophobicContact CE3-CG1 3.72Å; W196-I293 HydrophobicContact CZ3-CG1 4.19Å; W196-L296 HydrophobicContact CH2-CB 4Å; W196-L296 HydrophobicContact CH2-CD1 4.31Å; W196-L296 HydrophobicContact CZ3-CB 4.01Å; W196-L296 HydrophobicContact CZ3-CD1 4.14Å; W196-I297 HydrophobicContact CH2-CD1 4.01Å; W196-I297 HydrophobicContact CH2-CG1 3.69Å; W196-I297 HydrophobicContact CZ3-CD1 4.02Å; W196-I297 HydrophobicContact CZ3-CG1 3.85Å
197	G	98.3	Very high	97.3	Very high	9 Å²	9	55.7 Å²	55.7	9%	0.093	29%	0.285	C	S	.	.	H	α-helix	trans	-59.5	-38	-176.2	0	0	0	0	0	113.2	I193 E194 T201 S230	I193-G197 PolarHBondContact O-N 2.86Å; E194-G197 PolarHBondContact O-N 3.3Å; G197-T201 VanDerWaalsContact O-CB 3.32Å; G197-T201 WeakPolarHBondContact O-CB 3.42Å; G197-T201 PolarHBondContact O-N 3.01Å; G197-T201 PolarHBondContact O-OG1 3.18Å; G197-S230 WeakPolarHBondContact CA-O 3.39Å
198	L	97.8	Very high	97	Very high	97 Å²	97	50.8 Å²	50.8	51%	0.508	28%	0.275	S	S	.	.	H	α-helix	trans	-62.9	-49.5	175.8	-178.1	67	0	0	0	111.8	E194 W196 K202 P284	E194-L198 PolarHBondContact O-N 2.7Å; W196-L198 VanDerWaalsContact C-N 3.28Å; W196-L198 PolarHBondContact O-N 2.73Å; L198-K202 PolarHBondContact O-N 3.24Å; L198-P284 HydrophobicContact CD2-CB 3.84Å; L198-P284 HydrophobicContact CD2-CG 3.51Å
199	V	97.4	Very high	96.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	30%	0.295	C	S	.	.	H	α-helix	trans	-70.4	-44.5	-178.5	-177	0	0	0	0	110.7	T195 W196 T201 K202 M203 P284 M285 I293	T195-V199 WeakPolarHBondContact O-CG2 3.41Å; T195-V199 PolarHBondContact O-N 3.02Å; W196-V199 PolarHBondContact O-N 3.11Å; W196-V199 VanDerWaalsContact O-N 3.17Å; V199-T201 PolarHBondContact O-N 3.09Å; V199-K202 PolarHBondContact O-N 2.9Å; V199-M203 HydrophobicContact CG1-CG 3.82Å; V199-M203 WeakPolarHBondContact O-CB 3.42Å; V199-M203 WeakPolarHBondContact O-CG 3.23Å; V199-M203 PolarHBondContact O-N 2.87Å; V199-P284 HydrophobicContact CG2-CB 4.15Å; V199-P284 WeakPolarHBondContact CG2-O 3.34Å; V199-M285 HydrophobicContact CG2-SD 4.15Å; V199-I293 HydrophobicContact CB-CD1 3.99Å; V199-I293 HydrophobicContact CB-CG2 4.45Å; V199-I293 HydrophobicContact CG1-CD1 4.35Å; V199-I293 HydrophobicContact CG1-CG2 3.73Å; V199-I293 HydrophobicContact CG2-CD1 3.91Å
200	F	98	Very high	96.7	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.035	29%	0.292	C	S	.	.	H	α-helix	trans	-53.4	-51.7	176.9	-177.6	-84.1	0	0	0	111.5	W196 K202 M203 K204 F219 Y228 I297	W196-F200 AromaticContact CE2-CD2 3.9Å; W196-F200 HydrophobicContact CH2-CD2 4.3Å; W196-F200 AromaticContact CZ2-CD2 3.54Å; W196-F200 HydrophobicContact CZ2-CD2 3.54Å; W196-F200 HydrophobicContact CZ2-CE2 4.1Å; W196-F200 HydrophobicContact CZ2-CG 4.46Å; W196-F200 VanDerWaalsContact O-CB 3.23Å; W196-F200 WeakPolarHBondContact O-CB 3.35Å; W196-F200 PolarHBondContact O-N 2.71Å; F200-K202 VanDerWaalsContact C-N 3.34Å; F200-K202 PolarHBondContact O-N 3.5Å; F200-M203 PolarHBondContact O-N 3.49Å; F200-K204 HydrophobicContact CE1-CD 3.89Å; F200-K204 HydrophobicContact CZ-CD 4.26Å; F200-K204 VanDerWaalsContact O-CB 3.22Å; F200-K204 WeakPolarHBondContact O-CB 3.49Å; F200-K204 PolarHBondContact O-N 2.88Å; F200-F219 HydrophobicContact CD2-CZ 4.2Å; F200-F219 HydrophobicContact CE2-CE1 4.02Å; F200-F219 HydrophobicContact CE2-CE2 4.44Å; F200-F219 AromaticContact CE2-CZ 3.45Å; F200-F219 HydrophobicContact CE2-CZ 3.45Å; F200-F219 VanDerWaalsContact CE2-CZ 3.45Å; F200-F219 AromaticContact CZ-CE1 3.82Å; F200-F219 HydrophobicContact CZ-CE1 3.82Å; F200-F219 AromaticContact CZ-CZ 3.69Å; F200-F219 HydrophobicContact CZ-CZ 3.69Å; F200-Y228 HydrophobicContact CE2-CD1 4.37Å; F200-I297 HydrophobicContact CB-CD1 4.21Å; F200-I297 HydrophobicContact CD2-CD1 4.06Å
201	T	97.1	Very high	96.7	Very high	82 Å²	82	46.9 Å²	46.9	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-60.8	-44.9	-178.4	-58	0	0	0	0	111.4	G197 V199 A205	G197-T201 VanDerWaalsContact O-CB 3.32Å; G197-T201 WeakPolarHBondContact O-CB 3.42Å; G197-T201 PolarHBondContact O-N 3.01Å; G197-T201 PolarHBondContact O-OG1 3.18Å; V199-T201 PolarHBondContact O-N 3.09Å; T201-A205 PolarHBondContact O-N 3.45Å
202	K	95.7	Very high	96.7	Very high	82 Å²	82	42.6 Å²	42.6	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-69.4	-44.2	-178.4	-178.7	156.6	171.8	-178.3	0	112.2	L198 V199 F200 A205 V206 M285 Y360	L198-K202 PolarHBondContact O-N 3.24Å; V199-K202 PolarHBondContact O-N 2.9Å; F200-K202 VanDerWaalsContact C-N 3.34Å; F200-K202 PolarHBondContact O-N 3.5Å; K202-A205 PolarHBondContact O-N 2.9Å; K202-V206 PolarHBondContact O-N 3.06Å; K202-M285 HydrophobicContact CB-CE 4.47Å; K202-M285 HydrophobicContact CD-CE 3.46Å; K202-M285 VanDerWaalsContact CD-CE 3.46Å; K202-M285 HydrophobicContact CD-SD 4.1Å; K202-M285 HydrophobicContact CG-CE 4Å; K202-Y360 HydrophobicContact CD-CD2 4.2Å; K202-Y360 HydrophobicContact CD-CE2 4.5Å; K202-Y360 VanDerWaalsContact CE-CG 3.42Å; K202-Y360 HydrophobicContact CG-CD2 3.96Å; K202-Y360 HydrophobicContact CG-CE2 4.36Å
203	M	96.3	Very high	96.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-46.4	179.9	-67.7	-47.5	-65.6	0	0	111.4	V199 F200 A205 V206 H207 I297 M357 Y360 L363	V199-M203 HydrophobicContact CG1-CG 3.82Å; V199-M203 WeakPolarHBondContact O-CB 3.42Å; V199-M203 WeakPolarHBondContact O-CG 3.23Å; V199-M203 PolarHBondContact O-N 2.87Å; F200-M203 PolarHBondContact O-N 3.49Å; M203-A205 PolarHBondContact O-N 2.67Å; M203-V206 HydrophobicContact CE-CG2 4.15Å; M203-V206 WeakPolarHBondContact O-CG2 3.44Å; M203-V206 PolarHBondContact O-N 3.11Å; M203-V206 HydrophobicContact SD-CG2 4.36Å; M203-H207 PolarHBondContact O-CD2 2.84Å; M203-H207 PolarHBondContact O-N 3.1Å; M203-H207 PolarHBondContact O-ND1 2.99Å; M203-I297 HydrophobicContact CB-CG2 4.42Å; M203-M357 WeakPolarHBondContact CE-O 3.24Å; M203-Y360 PolarHBondContact SD-N 2.68Å; M203-L363 HydrophobicContact CE-CD1 4.21Å
204	K	95.7	Very high	96.6	Very high	84 Å²	84	47.9 Å²	47.9	37%	0.365	26%	0.258	S	S	.	.	H	α-helix	trans	-55.8	-38.5	178.1	-172.8	178.6	-177.2	-179.4	0	112.7	F200 V206 F219 E223	F200-K204 HydrophobicContact CE1-CD 3.89Å; F200-K204 HydrophobicContact CZ-CD 4.26Å; F200-K204 VanDerWaalsContact O-CB 3.22Å; F200-K204 WeakPolarHBondContact O-CB 3.49Å; F200-K204 PolarHBondContact O-N 2.88Å; K204-V206 PolarHBondContact O-N 2.9Å; K204-F219 HydrophobicContact CD-CE1 4.06Å; K204-F219 HydrophobicContact CG-CE1 4.19Å; K204-E223 WeakPolarHBondContact CE-OE1 3.49Å; K204-E223 WeakPolarHBondContact CE-OE2 3.26Å; K204-E223 IonicContact NZ-OE1 2.84Å; K204-E223 PolarHBondContact NZ-OE1 2.98Å; K204-E223 IonicContact NZ-OE2 3.17Å; K204-E223 PolarHBondContact NZ-OE2 2.91Å
205	A	94.7	Very high	96.6	Very high	73 Å²	73	42.5 Å²	42.5	60%	0.603	23%	0.234	S	C	*	.	H	α-helix	trans	-64.1	-37.8	177.8	0	0	0	0	0	113	T201 K202 M203	T201-A205 PolarHBondContact O-N 3.45Å; K202-A205 PolarHBondContact O-N 2.9Å; M203-A205 PolarHBondContact O-N 2.67Å
206	V	94.5	Very high	96.6	Very high	23 Å²	23	43.7 Å²	43.7	14%	0.139	24%	0.239	C	C	.	.	H	α-helix	trans	-84.3	-28.6	179.4	-62.7	0	0	0	0	113.2	K202 M203 K204 A208 S209 R210 Y360 L363	K202-V206 PolarHBondContact O-N 3.06Å; M203-V206 HydrophobicContact CE-CG2 4.15Å; M203-V206 WeakPolarHBondContact O-CG2 3.44Å; M203-V206 PolarHBondContact O-N 3.11Å; M203-V206 HydrophobicContact SD-CG2 4.36Å; K204-V206 PolarHBondContact O-N 2.9Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 2.95Å; V206-S209 PolarHBondContact O-N 2.8Å; V206-S209 PolarHBondContact O-OG 3.1Å; V206-R210 PolarHBondContact O-N 3.32Å; V206-Y360 HydrophobicContact CG1-CD2 4.13Å; V206-Y360 HydrophobicContact CG1-CE2 3.77Å; V206-Y360 HydrophobicContact CG2-CD2 4.49Å; V206-L363 HydrophobicContact CB-CD1 4.43Å; V206-L363 HydrophobicContact CB-CD2 4.24Å; V206-L363 HydrophobicContact CG2-CD1 3.81Å; V206-L363 HydrophobicContact CG2-CD2 4.26Å
207	H	96.6	Very high	96.5	Very high	7 Å²	7	47 Å²	47	3%	0.032	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-39.1	178.8	-64.4	154.3	0	0	0	112.3	M203 S209 R210 A211 Y215 M357	M203-H207 PolarHBondContact O-CD2 2.84Å; M203-H207 PolarHBondContact O-N 3.1Å; M203-H207 PolarHBondContact O-ND1 2.99Å; H207-S209 PolarHBondContact O-N 3.25Å; H207-R210 PolarHBondContact O-N 3.35Å; H207-R210 VanDerWaalsContact O-N 3.1Å; H207-A211 HydrophobicContact CB-CB 4.21Å; H207-A211 VanDerWaalsContact O-CB 3.32Å; H207-A211 WeakPolarHBondContact O-CB 3.38Å; H207-A211 PolarHBondContact O-N 3.4Å; H207-Y215 HydrophobicContact CB-CE1 4.14Å; H207-Y215 AromaticContact CE1-CE1 3.89Å; H207-Y215 AromaticContact CE1-CZ 3.8Å; H207-Y215 PolarHBondContact CE1-OH 2.75Å; H207-Y215 AromaticContact CG-CE1 3.78Å; H207-Y215 AromaticContact ND1-CE1 3.67Å; H207-M357 PolarHBondContact CD2-SD 3.17Å; H207-M357 PolarHBondContact CE1-O 2.82Å; H207-M357 PolarHBondContact NE2-O 2.89Å
208	A	91.3	Very high	96.5	Very high	76 Å²	76	46.8 Å²	46.8	63%	0.628	25%	0.254	S	S	*	.	H	α-helix	trans	-54.7	-28.2	-178	0	0	0	0	0	113.9	V206	V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 2.95Å
209	S	92.7	Very high	96.6	Very high	72 Å²	72	42.6 Å²	42.6	50%	0.503	23%	0.232	S	C	.	.	H	α-helix	trans	-108.8	-7.2	-179.2	64.2	0	0	0	0	114.3	V206 H207 R350	V206-S209 PolarHBondContact O-N 2.8Å; V206-S209 PolarHBondContact O-OG 3.1Å; H207-S209 PolarHBondContact O-N 3.25Å; S209-R350 PolarHBondContact O-NH1 2.94Å
210	R	96.6	Very high	96.6	Very high	87 Å²	87	47.8 Å²	47.8	33%	0.328	26%	0.256	S	S	.	.	H	α-helix	trans	-128.2	-26.6	-170.9	-62.7	-60.7	-166.2	171.1	3.7	115	V206 H207 R350 A351 L363 F367	V206-R210 PolarHBondContact O-N 3.32Å; H207-R210 PolarHBondContact O-N 3.35Å; H207-R210 VanDerWaalsContact O-N 3.1Å; R210-R350 WeakPolarHBondContact O-CA 3.44Å; R210-A351 PolarHBondContact O-N 3.07Å; R210-L363 HydrophobicContact CB-CD1 4.26Å; R210-L363 HydrophobicContact CB-CD2 4.37Å; R210-L363 HydrophobicContact CB-CG 4.46Å; R210-L363 HydrophobicContact CG-CD2 3.96Å; R210-F367 HydrophobicContact CB-CD2 4.37Å; R210-F367 HydrophobicContact CB-CE2 3.78Å; R210-F367 HydrophobicContact CB-CZ 4.2Å; R210-F367 HydrophobicContact CG-CD2 4.22Å; R210-F367 HydrophobicContact CG-CE2 4.13Å
211	A	98	Very high	96.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-78.5	153.9	-179.9	0	0	0	0	0	111.9	H207 Y215 I216 A351 M357	H207-A211 HydrophobicContact CB-CB 4.21Å; H207-A211 VanDerWaalsContact O-CB 3.32Å; H207-A211 WeakPolarHBondContact O-CB 3.38Å; H207-A211 PolarHBondContact O-N 3.4Å; A211-Y215 HydrophobicContact CB-CD1 3.5Å; A211-Y215 HydrophobicContact CB-CE1 4.25Å; A211-Y215 HydrophobicContact CB-CG 3.94Å; A211-I216 HydrophobicContact CB-CG1 4.07Å; A211-A351 WeakPolarHBondContact CA-O 3.21Å; A211-M357 HydrophobicContact CB-CE 3.59Å; A211-M357 HydrophobicContact CB-SD 3.8Å
212	C	97.7	Very high	96.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	25%	0.248	C	C	.	.			trans	-70.1	162.1	171.4	72.2	0	0	0	0	111.5	E214 Y215 I216 C343 R350 A351	C212-E214 VanDerWaalsContact C-N 3.3Å; C212-E214 PolarHBondContact O-N 2.88Å; C212-E214 PolarHBondContact SG-OE2 2.96Å; C212-Y215 WeakPolarHBondContact O-CB 3.44Å; C212-Y215 PolarHBondContact O-N 2.64Å; C212-I216 WeakPolarHBondContact O-CG1 3.49Å; C212-I216 PolarHBondContact O-N 3.46Å; C212-I216 VanDerWaalsContact O-N 3.15Å; C212-C343 WeakPolarHBondContact CB-SG 3.46Å; C212-R350 HydrophobicContact CB-CB 3.96Å; C212-A351 PolarHBondContact N-O 3.33Å
213	R	97.2	Very high	96.8	Very high	126 Å²	126	45.8 Å²	45.8	48%	0.475	24%	0.244	S	C	.	.	H	α-helix	trans	-53.8	-46	179.4	-177.5	58.9	56.3	-177.1	-0.4	112.5	Y215 I216 D217 E345	R213-Y215 VanDerWaalsContact C-N 3.29Å; R213-Y215 PolarHBondContact O-N 3.34Å; R213-I216 PolarHBondContact O-N 3.18Å; R213-I216 VanDerWaalsContact O-N 3.15Å; R213-D217 WeakPolarHBondContact CD-OD1 3.38Å; R213-D217 WeakPolarHBondContact O-CB 3.39Å; R213-D217 VanDerWaalsContact O-CG 3.28Å; R213-D217 PolarHBondContact O-N 3.32Å; R213-E345 WeakPolarHBondContact CB-OE2 3.46Å; R213-E345 PolarHBondContact N-OE2 2.82Å
214	E	97.6	Very high	96.9	Very high	53 Å²	53	52.8 Å²	52.8	25%	0.248	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-38.4	-177	-63.6	84	173.5	0	0	111.9	C212 G218 M302 N305 I401	C212-E214 VanDerWaalsContact C-N 3.3Å; C212-E214 PolarHBondContact O-N 2.88Å; C212-E214 PolarHBondContact SG-OE2 2.96Å; E214-G218 PolarHBondContact O-N 3.13Å; E214-M302 HydrophobicContact CB-CE 4.17Å; E214-M302 HydrophobicContact CB-SD 4.24Å; E214-N305 HydrophobicContact CB-CB 4.48Å; E214-N305 WeakPolarHBondContact CG-ND2 3.48Å; E214-I401 HydrophobicContact CB-CD1 4.27Å; E214-I401 HydrophobicContact CG-CD1 3.81Å
215	Y	98.5	Very high	97	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-48.9	174.3	-178.6	-83.1	0	0	0	110.8	H207 A211 C212 R213 D217 G218 F219 I297 P301 M302 M357	H207-Y215 HydrophobicContact CB-CE1 4.14Å; H207-Y215 AromaticContact CE1-CE1 3.89Å; H207-Y215 AromaticContact CE1-CZ 3.8Å; H207-Y215 PolarHBondContact CE1-OH 2.75Å; H207-Y215 AromaticContact CG-CE1 3.78Å; H207-Y215 AromaticContact ND1-CE1 3.67Å; A211-Y215 HydrophobicContact CB-CD1 3.5Å; A211-Y215 HydrophobicContact CB-CE1 4.25Å; A211-Y215 HydrophobicContact CB-CG 3.94Å; C212-Y215 WeakPolarHBondContact O-CB 3.44Å; C212-Y215 PolarHBondContact O-N 2.64Å; R213-Y215 VanDerWaalsContact C-N 3.29Å; R213-Y215 PolarHBondContact O-N 3.34Å; Y215-D217 PolarHBondContact O-N 2.94Å; Y215-G218 PolarHBondContact O-N 3.46Å; Y215-F219 HydrophobicContact CE1-CB 4.37Å; Y215-F219 AromaticContact CE1-CD2 3.99Å; Y215-F219 HydrophobicContact CE1-CD2 3.99Å; Y215-F219 WeakPolarHBondContact O-CB 3.18Å; Y215-F219 PolarHBondContact O-N 2.8Å; Y215-I297 WeakPolarHBondContact CE2-O 3.11Å; Y215-I297 PolarHBondContact OH-O 3.42Å; Y215-P301 HydrophobicContact CD1-CB 4.48Å; Y215-P301 HydrophobicContact CD2-CB 3.69Å; Y215-P301 HydrophobicContact CD2-CG 4.25Å; Y215-P301 HydrophobicContact CE1-CB 4.44Å; Y215-P301 HydrophobicContact CE1-CG 4.49Å; Y215-P301 HydrophobicContact CE2-CB 3.61Å; Y215-P301 HydrophobicContact CE2-CG 3.63Å; Y215-P301 HydrophobicContact CG-CB 4.12Å; Y215-M302 VanDerWaalsContact CA-SD 3.59Å; Y215-M302 HydrophobicContact CD2-CG 3.97Å; Y215-M302 HydrophobicContact CD2-SD 4.23Å; Y215-M302 HydrophobicContact CG-SD 4.45Å; Y215-M302 PolarHBondContact N-SD 3.31Å; Y215-M357 HydrophobicContact CD1-SD 4.28Å; Y215-M357 HydrophobicContact CD2-CB 4.38Å; Y215-M357 HydrophobicContact CD2-CG 3.75Å; Y215-M357 HydrophobicContact CD2-SD 4.24Å; Y215-M357 HydrophobicContact CE1-SD 4.08Å; Y215-M357 HydrophobicContact CE2-CB 3.61Å; Y215-M357 HydrophobicContact CE2-CG 3.46Å; Y215-M357 VanDerWaalsContact CE2-CG 3.46Å; Y215-M357 HydrophobicContact CE2-SD 4.06Å; Y215-M357 HydrophobicContact CG-CG 4.44Å; Y215-M357 HydrophobicContact CG-SD 4.38Å
216	I	98.1	Very high	97.1	Very high	33 Å²	33	51 Å²	51	17%	0.169	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-47	-177.9	-66.2	170.1	0	0	0	110.5	A211 C212 R213 F219 Q220	A211-I216 HydrophobicContact CB-CG1 4.07Å; C212-I216 WeakPolarHBondContact O-CG1 3.49Å; C212-I216 PolarHBondContact O-N 3.46Å; C212-I216 VanDerWaalsContact O-N 3.15Å; R213-I216 PolarHBondContact O-N 3.18Å; R213-I216 VanDerWaalsContact O-N 3.15Å; I216-F219 PolarHBondContact O-N 3.18Å; I216-Q220 WeakPolarHBondContact O-CG 3.47Å; I216-Q220 PolarHBondContact O-N 3.44Å
217	D	97.9	Very high	97.3	Very high	71 Å²	71	54 Å²	54	38%	0.38	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-43	179.2	-66.7	-9	0	0	0	110.6	R213 Y215 F219 Q220 L221	R213-D217 WeakPolarHBondContact CD-OD1 3.38Å; R213-D217 WeakPolarHBondContact O-CB 3.39Å; R213-D217 VanDerWaalsContact O-CG 3.28Å; R213-D217 PolarHBondContact O-N 3.32Å; Y215-D217 PolarHBondContact O-N 2.94Å; D217-F219 PolarHBondContact O-N 3.1Å; D217-Q220 PolarHBondContact O-N 3.15Å; D217-L221 WeakPolarHBondContact O-CG 3.45Å; D217-L221 PolarHBondContact O-N 3.36Å; D217-L221 VanDerWaalsContact O-N 3.1Å
218	G	98.2	Very high	97.3	Very high	3 Å²	3	53.8 Å²	53.8	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-41.9	175.2	0	0	0	0	0	113.1	E214 Y215 L221 L222 P301 V304	E214-G218 PolarHBondContact O-N 3.13Å; Y215-G218 PolarHBondContact O-N 3.46Å; G218-L221 WeakPolarHBondContact O-CB 3.45Å; G218-L221 PolarHBondContact O-N 2.8Å; G218-L222 WeakPolarHBondContact O-CG 3.41Å; G218-L222 PolarHBondContact O-N 3.14Å; G218-L222 VanDerWaalsContact O-N 3.12Å; G218-P301 WeakPolarHBondContact CA-O 3.28Å; G218-V304 VanDerWaalsContact CA-CG2 3.4Å
219	F	98.2	Very high	97.6	Very high	9 Å²	9	52.2 Å²	52.2	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-62.6	-45.9	176.8	-162.2	-82	0	0	0	110.9	F200 K204 Y215 I216 D217 L221 L222 E223 Y228 I297 P301	F200-F219 HydrophobicContact CD2-CZ 4.2Å; F200-F219 HydrophobicContact CE2-CE1 4.02Å; F200-F219 HydrophobicContact CE2-CE2 4.44Å; F200-F219 AromaticContact CE2-CZ 3.45Å; F200-F219 HydrophobicContact CE2-CZ 3.45Å; F200-F219 VanDerWaalsContact CE2-CZ 3.45Å; F200-F219 AromaticContact CZ-CE1 3.82Å; F200-F219 HydrophobicContact CZ-CE1 3.82Å; F200-F219 AromaticContact CZ-CZ 3.69Å; F200-F219 HydrophobicContact CZ-CZ 3.69Å; K204-F219 HydrophobicContact CD-CE1 4.06Å; K204-F219 HydrophobicContact CG-CE1 4.19Å; Y215-F219 HydrophobicContact CE1-CB 4.37Å; Y215-F219 AromaticContact CE1-CD2 3.99Å; Y215-F219 HydrophobicContact CE1-CD2 3.99Å; Y215-F219 WeakPolarHBondContact O-CB 3.18Å; Y215-F219 PolarHBondContact O-N 2.8Å; I216-F219 PolarHBondContact O-N 3.18Å; D217-F219 PolarHBondContact O-N 3.1Å; F219-L221 VanDerWaalsContact C-N 3.29Å; F219-L221 PolarHBondContact O-N 3.49Å; F219-L222 WeakPolarHBondContact O-CB 3.45Å; F219-L222 PolarHBondContact O-N 3.29Å; F219-E223 HydrophobicContact CD1-CG 3.83Å; F219-E223 HydrophobicContact CE1-CG 3.82Å; F219-E223 WeakPolarHBondContact O-CG 3.49Å; F219-E223 PolarHBondContact O-N 2.81Å; F219-Y228 HydrophobicContact CE2-CD1 4.23Å; F219-Y228 HydrophobicContact CZ-CD1 4.3Å; F219-I297 HydrophobicContact CE2-CG2 4.35Å; F219-P301 HydrophobicContact CB-CB 4.25Å; F219-P301 HydrophobicContact CB-CG 4.36Å; F219-P301 HydrophobicContact CD2-CG 3.78Å
220	Q	98.1	Very high	97.9	Very high	111 Å²	111	51 Å²	51	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-60	-37.4	177.1	-71.6	174.5	6.1	0	0	112.8	I216 D217 E223 K224	I216-Q220 WeakPolarHBondContact O-CG 3.47Å; I216-Q220 PolarHBondContact O-N 3.44Å; D217-Q220 PolarHBondContact O-N 3.15Å; Q220-E223 PolarHBondContact O-N 3.44Å; Q220-K224 WeakPolarHBondContact O-CB 3.32Å; Q220-K224 PolarHBondContact O-N 3.03Å; Q220-K224 VanDerWaalsContact O-N 3.09Å
221	L	98.4	Very high	98	Very high	69 Å²	69	54.5 Å²	54.5	36%	0.361	26%	0.258	S	S	.	.	H	α-helix	trans	-63.4	-42	173.8	-70.8	173.5	0	0	0	111.7	D217 G218 F219 K224 Y225 F242	D217-L221 WeakPolarHBondContact O-CG 3.45Å; D217-L221 PolarHBondContact O-N 3.36Å; D217-L221 VanDerWaalsContact O-N 3.1Å; G218-L221 WeakPolarHBondContact O-CB 3.45Å; G218-L221 PolarHBondContact O-N 2.8Å; F219-L221 VanDerWaalsContact C-N 3.29Å; F219-L221 PolarHBondContact O-N 3.49Å; L221-K224 PolarHBondContact O-N 3.19Å; L221-Y225 HydrophobicContact CD2-CD2 4.25Å; L221-Y225 HydrophobicContact CD2-CE2 3.8Å; L221-Y225 VanDerWaalsContact O-CD2 3.24Å; L221-Y225 WeakPolarHBondContact O-CD2 2.94Å; L221-Y225 PolarHBondContact O-N 3.27Å; L221-F242 HydrophobicContact CB-CE1 4.14Å; L221-F242 HydrophobicContact CB-CZ 3.95Å
222	L	98.5	Very high	97.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-35.6	178	-66	166.8	0	0	0	112	G218 F219 K224 C226 N227 Y228 I239 F242 M300 P301 V304	G218-L222 WeakPolarHBondContact O-CG 3.41Å; G218-L222 PolarHBondContact O-N 3.14Å; G218-L222 VanDerWaalsContact O-N 3.12Å; F219-L222 WeakPolarHBondContact O-CB 3.45Å; F219-L222 PolarHBondContact O-N 3.29Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 3.1Å; L222-C226 HydrophobicContact CB-CB 4.4Å; L222-C226 HydrophobicContact CD2-CB 3.96Å; L222-C226 CarbonylContact O-C 3.57Å; L222-C226 VanDerWaalsContact O-CA 3.31Å; L222-C226 WeakPolarHBondContact O-CA 3.18Å; L222-C226 VanDerWaalsContact O-CB 3.32Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.39Å; L222-N227 PolarHBondContact O-N 3.42Å; L222-Y228 HydrophobicContact CB-CD1 3.7Å; L222-Y228 HydrophobicContact CB-CD2 3.8Å; L222-Y228 HydrophobicContact CB-CE1 3.89Å; L222-Y228 HydrophobicContact CB-CE2 3.97Å; L222-Y228 HydrophobicContact CB-CG 3.69Å; L222-Y228 HydrophobicContact CD1-CD1 4.3Å; L222-Y228 HydrophobicContact CD1-CE1 3.68Å; L222-Y228 HydrophobicContact CD1-CE2 4.44Å; L222-Y228 HydrophobicContact CD2-CE2 4.26Å; L222-Y228 HydrophobicContact CG-CE1 4.33Å; L222-Y228 HydrophobicContact CG-CE2 4.45Å; L222-Y228 PolarHBondContact O-N 2.85Å; L222-I239 HydrophobicContact CD2-CG2 4.22Å; L222-F242 HydrophobicContact CD2-CD1 4.11Å; L222-F242 HydrophobicContact CD2-CE1 4.33Å; L222-M300 HydrophobicContact CD1-CB 3.78Å; L222-P301 HydrophobicContact CD1-CB 4.32Å; L222-P301 HydrophobicContact CD1-CG 3.9Å; L222-V304 HydrophobicContact CD2-CG1 4.06Å; L222-V304 HydrophobicContact CG-CG1 4.42Å
223	E	97.9	Very high	98	Very high	60 Å²	60	56.2 Å²	56.2	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-43.6	171.2	-61.4	-157.5	111.2	0	0	111.3	K204 F219 Q220	K204-E223 WeakPolarHBondContact CE-OE1 3.49Å; K204-E223 WeakPolarHBondContact CE-OE2 3.26Å; K204-E223 IonicContact NZ-OE1 2.84Å; K204-E223 PolarHBondContact NZ-OE1 2.98Å; K204-E223 IonicContact NZ-OE2 3.17Å; K204-E223 PolarHBondContact NZ-OE2 2.91Å; F219-E223 HydrophobicContact CD1-CG 3.83Å; F219-E223 HydrophobicContact CE1-CG 3.82Å; F219-E223 WeakPolarHBondContact O-CG 3.49Å; F219-E223 PolarHBondContact O-N 2.81Å; Q220-E223 PolarHBondContact O-N 3.44Å
224	K	98.1	Very high	98	Very high	148 Å²	148	50.3 Å²	50.3	64%	0.643	25%	0.247	S	C	*	.	H	α-helix	trans	-72.4	-38.1	-176.1	-172.3	174.6	178.6	-168.5	0	113.6	Q220 L221 L222	Q220-K224 WeakPolarHBondContact O-CB 3.32Å; Q220-K224 PolarHBondContact O-N 3.03Å; Q220-K224 VanDerWaalsContact O-N 3.09Å; L221-K224 PolarHBondContact O-N 3.19Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 3.1Å
225	Y	98.2	Very high	98.1	Very high	118 Å²	118	49.5 Å²	49.5	46%	0.463	24%	0.243	S	C	.	.	H	α-helix	trans	-119.1	-14.6	-167.3	-58.9	-64.9	0	0	0	114.9	L221 F242	L221-Y225 HydrophobicContact CD2-CD2 4.25Å; L221-Y225 HydrophobicContact CD2-CE2 3.8Å; L221-Y225 VanDerWaalsContact O-CD2 3.24Å; L221-Y225 WeakPolarHBondContact O-CD2 2.94Å; L221-Y225 PolarHBondContact O-N 3.27Å; Y225-F242 HydrophobicContact CD2-CD2 4.39Å; Y225-F242 AromaticContact CD2-CE2 3.39Å; Y225-F242 HydrophobicContact CD2-CE2 3.39Å; Y225-F242 AromaticContact CD2-CZ 3.6Å; Y225-F242 HydrophobicContact CD2-CZ 3.6Å; Y225-F242 HydrophobicContact CE2-CE2 4.23Å; Y225-F242 HydrophobicContact CE2-CZ 4.4Å; Y225-F242 HydrophobicContact CG-CD2 4.24Å; Y225-F242 AromaticContact CG-CE2 3.64Å; Y225-F242 HydrophobicContact CG-CE2 3.64Å; Y225-F242 HydrophobicContact CG-CZ 4.23Å
226	C	98.1	Very high	98.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.007	24%	0.244	C	C	.	.	S	Bend	trans	-124.6	15.3	-171.6	-61.7	0	0	0	0	113.8	L222 Y228 I239 F242	L222-C226 HydrophobicContact CB-CB 4.4Å; L222-C226 HydrophobicContact CD2-CB 3.96Å; L222-C226 CarbonylContact O-C 3.57Å; L222-C226 VanDerWaalsContact O-CA 3.31Å; L222-C226 WeakPolarHBondContact O-CA 3.18Å; L222-C226 VanDerWaalsContact O-CB 3.32Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.39Å; C226-Y228 VanDerWaalsContact C-N 3.3Å; C226-Y228 HydrophobicContact CB-CD2 4.08Å; C226-Y228 HydrophobicContact CB-CE2 4.23Å; C226-Y228 PolarHBondContact O-N 3.33Å; C226-I239 HydrophobicContact CB-CG1 4.07Å; C226-F242 WeakPolarHBondContact SG-CB 3.32Å; C226-F242 VanDerWaalsContact SG-CD1 3.53Å; C226-F242 WeakPolarHBondContact SG-CG 3.31Å
227	N	96.7	Very high	98.1	Very high	86 Å²	86	49 Å²	49	46%	0.46	24%	0.241	S	C	.	.			trans	60	35.8	178.2	-169.3	51.2	0	0	0	113.4	L222 N229 S232	L222-N227 PolarHBondContact O-N 3.42Å; N227-N229 PolarHBondContact O-N 3.01Å; N227-N229 PolarHBondContact O-ND2 3.19Å; N227-N229 PolarHBondContact OD1-ND2 3.46Å; N227-S232 PolarHBondContact ND2-OG 3.38Å
228	Y	98.2	Very high	98.1	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.016	24%	0.238	C	C	.	.			trans	-74	112.6	170.5	-83.5	-141.1	0	0	0	109.3	F200 F219 L222 C226 P234 I239 L296 M300	F200-Y228 HydrophobicContact CE2-CD1 4.37Å; F219-Y228 HydrophobicContact CE2-CD1 4.23Å; F219-Y228 HydrophobicContact CZ-CD1 4.3Å; L222-Y228 HydrophobicContact CB-CD1 3.7Å; L222-Y228 HydrophobicContact CB-CD2 3.8Å; L222-Y228 HydrophobicContact CB-CE1 3.89Å; L222-Y228 HydrophobicContact CB-CE2 3.97Å; L222-Y228 HydrophobicContact CB-CG 3.69Å; L222-Y228 HydrophobicContact CD1-CD1 4.3Å; L222-Y228 HydrophobicContact CD1-CE1 3.68Å; L222-Y228 HydrophobicContact CD1-CE2 4.44Å; L222-Y228 HydrophobicContact CD2-CE2 4.26Å; L222-Y228 HydrophobicContact CG-CE1 4.33Å; L222-Y228 HydrophobicContact CG-CE2 4.45Å; L222-Y228 PolarHBondContact O-N 2.85Å; C226-Y228 VanDerWaalsContact C-N 3.3Å; C226-Y228 HydrophobicContact CB-CD2 4.08Å; C226-Y228 HydrophobicContact CB-CE2 4.23Å; C226-Y228 PolarHBondContact O-N 3.33Å; Y228-P234 HydrophobicContact CD2-CB 3.89Å; Y228-P234 HydrophobicContact CD2-CG 3.31Å; Y228-P234 HydrophobicContact CE2-CB 3.74Å; Y228-P234 HydrophobicContact CE2-CG 3.51Å; Y228-P234 HydrophobicContact CG-CG 4.1Å; Y228-I239 HydrophobicContact CE2-CD1 3.77Å; Y228-I239 HydrophobicContact CE2-CG1 4.22Å; Y228-L296 VanDerWaalsContact CE1-O 3.25Å; Y228-L296 WeakPolarHBondContact CE1-O 3.33Å; Y228-L296 WeakPolarHBondContact OH-CA 3.38Å; Y228-L296 WeakPolarHBondContact OH-CB 3.46Å; Y228-L296 PolarHBondContact OH-O 2.94Å; Y228-M300 WeakPolarHBondContact OH-CB 3.44Å; Y228-M300 WeakPolarHBondContact OH-CG 3.22Å
229	N	98	Very high	98.1	Very high	42 Å²	42	48 Å²	48	23%	0.225	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-159.3	173.7	174.3	57.1	68.5	0	0	0	109.4	W196 N227 E231 S232	W196-N229 PolarHBondContact NE1-O 2.86Å; N227-N229 PolarHBondContact O-N 3.01Å; N227-N229 PolarHBondContact O-ND2 3.19Å; N227-N229 PolarHBondContact OD1-ND2 3.46Å; N229-E231 VanDerWaalsContact C-N 3.31Å; N229-E231 PolarHBondContact O-N 3.12Å; N229-E231 WeakPolarHBondContact OD1-CA 3.48Å; N229-E231 PolarHBondContact OD1-N 3.35Å; N229-S232 PolarHBondContact ND2-OG 3.47Å; N229-S232 PolarHBondContact OD1-N 3.13Å; N229-S232 PolarHBondContact OD1-OG 3.34Å
230	S	97.8	Very high	98.1	Very high	48 Å²	48	48.1 Å²	48.1	34%	0.336	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.7	179.2	53.2	0	0	0	0	114.7	G197	G197-S230 WeakPolarHBondContact CA-O 3.39Å
231	E	98.2	Very high	98.1	Very high	159 Å²	159	46.6 Å²	46.6	74%	0.743	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-10.1	-169.7	-60.4	-178.4	178.7	0	0	113.1	I193 N229	I193-E231 WeakPolarHBondContact CG2-O 3.29Å; N229-E231 VanDerWaalsContact C-N 3.31Å; N229-E231 PolarHBondContact O-N 3.12Å; N229-E231 WeakPolarHBondContact OD1-CA 3.48Å; N229-E231 PolarHBondContact OD1-N 3.35Å
232	S	97.6	Very high	98.1	Very high	31 Å²	31	44 Å²	44	22%	0.217	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-155.2	143.3	-177.6	55.9	0	0	0	0	111.6	W196 N227 N229 P234	W196-S232 PolarHBondContact NE1-O 2.77Å; W196-S232 VanDerWaalsContact NE1-O 3.09Å; N227-S232 PolarHBondContact ND2-OG 3.38Å; N229-S232 PolarHBondContact ND2-OG 3.47Å; N229-S232 PolarHBondContact OD1-N 3.13Å; N229-S232 PolarHBondContact OD1-OG 3.34Å; S232-P234 WeakPolarHBondContact O-CD 3.34Å
233	I	98.4	Very high	98.1	Very high	8 Å²	8	44 Å²	44	4%	0.041	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-81.7	123.3	172.6	-61.5	170.2	0	0	0	108.4	Y188 E192 W196 I278 L296	Y188-I233 HydrophobicContact CD1-CB 4.5Å; Y188-I233 HydrophobicContact CD1-CD1 3.52Å; Y188-I233 HydrophobicContact CD2-CB 3.63Å; Y188-I233 HydrophobicContact CD2-CD1 4.17Å; Y188-I233 HydrophobicContact CD2-CG1 4.42Å; Y188-I233 HydrophobicContact CD2-CG2 3.95Å; Y188-I233 HydrophobicContact CE1-CD1 3.92Å; Y188-I233 HydrophobicContact CE1-CG2 4.19Å; Y188-I233 HydrophobicContact CE2-CB 3.72Å; Y188-I233 HydrophobicContact CE2-CG2 3.46Å; Y188-I233 VanDerWaalsContact CE2-CG2 3.46Å; Y188-I233 HydrophobicContact CG-CB 4.04Å; Y188-I233 HydrophobicContact CG-CD1 3.66Å; Y188-I233 HydrophobicContact CG-CG1 4.34Å; Y188-I233 HydrophobicContact CG-CG2 4.48Å; E192-I233 HydrophobicContact CB-CD1 4.21Å; W196-I233 HydrophobicContact CB-CD1 3.89Å; W196-I233 HydrophobicContact CB-CG1 3.51Å; W196-I233 HydrophobicContact CD2-CG1 3.88Å; W196-I233 HydrophobicContact CE3-CG1 4.26Å; W196-I233 HydrophobicContact CE3-CG2 4.48Å; W196-I233 HydrophobicContact CG-CD1 4.42Å; W196-I233 HydrophobicContact CG-CG1 3.52Å; I233-I278 HydrophobicContact CD1-CD1 3.96Å; I233-L296 HydrophobicContact CG2-CD1 4.26Å
234	P	98.3	Very high	98.1	Very high	1 Å²	1	45 Å²	45	1%	0.006	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-58.2	142	176	-27.7	36.9	0	0	0	113.5	W196 Y228 S232 I239 L296	W196-P234 HydrophobicContact CH2-CG 4.24Å; W196-P234 VanDerWaalsContact CZ2-CD 3.44Å; W196-P234 HydrophobicContact CZ2-CG 3.99Å; Y228-P234 HydrophobicContact CD2-CB 3.89Å; Y228-P234 HydrophobicContact CD2-CG 3.31Å; Y228-P234 HydrophobicContact CE2-CB 3.74Å; Y228-P234 HydrophobicContact CE2-CG 3.51Å; Y228-P234 HydrophobicContact CG-CG 4.1Å; S232-P234 WeakPolarHBondContact O-CD 3.34Å; P234-I239 HydrophobicContact CB-CD1 3.81Å; P234-I239 HydrophobicContact CB-CG1 4.37Å; P234-L296 HydrophobicContact CB-CD1 4.32Å
235	Q	98.3	Very high	98	Very high	36 Å²	36	46.9 Å²	46.9	17%	0.168	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-85.2	135.1	175.9	-64.5	-62.8	-37.2	0	0	111.3	E185 V186 Q237 T238 I239	E185-Q235 VanDerWaalsContact CA-OE1 3.27Å; E185-Q235 HydrophobicContact CG-CG 4.2Å; V186-Q235 PolarHBondContact O-NE2 3.29Å; Q235-Q237 PolarHBondContact O-N 3.21Å; Q235-T238 PolarHBondContact O-N 3.44Å; Q235-I239 PolarHBondContact O-N 3.23Å
236	L	98.4	Very high	98	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-57.3	-37.1	-176.5	-65.5	-165	0	0	0	113.3	I183 T238 I239 C240 I251 P253 C274 Q276 L296	I183-L236 HydrophobicContact CD1-CB 3.93Å; I183-L236 HydrophobicContact CG2-CB 3.99Å; I183-L236 HydrophobicContact CG2-CD1 4.43Å; L236-T238 PolarHBondContact O-N 3.19Å; L236-I239 PolarHBondContact O-N 2.84Å; L236-C240 WeakPolarHBondContact O-CB 3.19Å; L236-C240 PolarHBondContact O-N 3.1Å; L236-I251 HydrophobicContact CB-CG2 4.24Å; L236-I251 HydrophobicContact CD1-CG2 3.89Å; L236-I251 HydrophobicContact CD2-CG2 4.42Å; L236-I251 HydrophobicContact CG-CG2 4.41Å; L236-P253 HydrophobicContact CD1-CB 4.36Å; L236-C274 HydrophobicContact CD1-CB 4.13Å; L236-C274 HydrophobicContact CD2-CB 4.45Å; L236-C274 VanDerWaalsContact CD2-SG 3.52Å; L236-Q276 HydrophobicContact CD1-CG 3.25Å; L236-Q276 HydrophobicContact CG-CG 3.8Å; L236-L296 HydrophobicContact CD2-CD2 3.75Å
237	Q	98.1	Very high	98	Very high	23 Å²	23	43.6 Å²	43.6	11%	0.107	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-42.6	-178.1	-176.1	56	36.6	0	0	112.6	R182 I183 Q235 I239 C240 E241	R182-Q237 HydrophobicContact CG-CG 3.68Å; I183-Q237 HydrophobicContact CB-CB 4.13Å; Q235-Q237 PolarHBondContact O-N 3.21Å; Q237-I239 VanDerWaalsContact C-N 3.34Å; Q237-I239 PolarHBondContact O-N 2.91Å; Q237-C240 WeakPolarHBondContact O-CB 3.3Å; Q237-C240 PolarHBondContact O-N 3.13Å; Q237-E241 PolarHBondContact NE2-OE1 2.94Å; Q237-E241 WeakPolarHBondContact O-CG 3.33Å; Q237-E241 PolarHBondContact O-N 3.2Å
238	T	98.3	Very high	98	Very high	52 Å²	52	40.5 Å²	40.5	32%	0.319	21%	0.205	S	C	.	.	H	α-helix	trans	-62.6	-43.4	177.6	-55.8	0	0	0	0	111.1	Q235 L236 F242	Q235-T238 PolarHBondContact O-N 3.44Å; L236-T238 PolarHBondContact O-N 3.19Å; T238-F242 WeakPolarHBondContact O-CB 3.19Å; T238-F242 PolarHBondContact O-N 2.86Å; T238-F242 VanDerWaalsContact O-N 3.1Å
239	I	98.5	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.2	-42.4	178.6	-53.8	171.3	0	0	0	110.5	L222 C226 Y228 P234 Q235 L236 Q237 E241 F242 M243 I251 L296 M300	L222-I239 HydrophobicContact CD2-CG2 4.22Å; C226-I239 HydrophobicContact CB-CG1 4.07Å; Y228-I239 HydrophobicContact CE2-CD1 3.77Å; Y228-I239 HydrophobicContact CE2-CG1 4.22Å; P234-I239 HydrophobicContact CB-CD1 3.81Å; P234-I239 HydrophobicContact CB-CG1 4.37Å; Q235-I239 PolarHBondContact O-N 3.23Å; L236-I239 PolarHBondContact O-N 2.84Å; Q237-I239 VanDerWaalsContact C-N 3.34Å; Q237-I239 PolarHBondContact O-N 2.91Å; I239-E241 PolarHBondContact O-N 3.38Å; I239-F242 PolarHBondContact O-N 3.43Å; I239-F242 VanDerWaalsContact O-N 3.15Å; I239-M243 HydrophobicContact CG2-CG 4.04Å; I239-M243 HydrophobicContact CG2-SD 3.64Å; I239-M243 WeakPolarHBondContact O-CB 3.48Å; I239-M243 WeakPolarHBondContact O-CG 3.35Å; I239-M243 PolarHBondContact O-N 2.68Å; I239-I251 HydrophobicContact CB-CD1 3.78Å; I239-I251 HydrophobicContact CG2-CD1 3.63Å; I239-L296 HydrophobicContact CD1-CD1 4.48Å; I239-L296 HydrophobicContact CD1-CD2 3.42Å; I239-L296 VanDerWaalsContact CD1-CD2 3.42Å; I239-L296 HydrophobicContact CD1-CG 4.49Å; I239-M300 HydrophobicContact CG2-CG 4.22Å; I239-M300 HydrophobicContact CG2-SD 4.08Å
240	C	98.3	Very high	98	Very high	12 Å²	12	41 Å²	41	8%	0.081	20%	0.204	C	C	.	.	H	α-helix	trans	-55.6	-49.8	177	-175.3	0	0	0	0	111.3	I183 L236 Q237 F242 H244 I251	I183-C240 HydrophobicContact CD1-CB 4.11Å; L236-C240 WeakPolarHBondContact O-CB 3.19Å; L236-C240 PolarHBondContact O-N 3.1Å; Q237-C240 WeakPolarHBondContact O-CB 3.3Å; Q237-C240 PolarHBondContact O-N 3.13Å; C240-F242 VanDerWaalsContact C-N 3.32Å; C240-F242 PolarHBondContact O-N 3.07Å; C240-H244 VanDerWaalsContact O-CB 3.3Å; C240-H244 WeakPolarHBondContact O-CB 3.32Å; C240-H244 PolarHBondContact O-N 3.39Å; C240-I251 HydrophobicContact CB-CB 3.99Å; C240-I251 HydrophobicContact CB-CG1 4.34Å; C240-I251 PolarHBondContact SG-N 3.05Å
241	E	98.2	Very high	98	Very high	79 Å²	79	38.9 Å²	38.9	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-62.8	-38.7	177.2	-71.5	170.8	-161.8	0	0	112.1	R182 Q237 I239 R245	R182-E241 IonicContact CZ-OE1 3.32Å; R182-E241 IonicContact NH1-OE1 3.2Å; R182-E241 PolarHBondContact NH1-OE1 3.25Å; Q237-E241 PolarHBondContact NE2-OE1 2.94Å; Q237-E241 WeakPolarHBondContact O-CG 3.33Å; Q237-E241 PolarHBondContact O-N 3.2Å; I239-E241 PolarHBondContact O-N 3.38Å; E241-R245 PolarHBondContact O-N 3.05Å
242	F	98.5	Very high	98	Very high	14 Å²	14	31.8 Å²	31.8	6%	0.061	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-51.6	177.6	-178.1	-105	0	0	0	112.2	L221 L222 Y225 C226 T238 I239 C240 H244 R245 T246 V304	L221-F242 HydrophobicContact CB-CE1 4.14Å; L221-F242 HydrophobicContact CB-CZ 3.95Å; L222-F242 HydrophobicContact CD2-CD1 4.11Å; L222-F242 HydrophobicContact CD2-CE1 4.33Å; Y225-F242 HydrophobicContact CD2-CD2 4.39Å; Y225-F242 AromaticContact CD2-CE2 3.39Å; Y225-F242 HydrophobicContact CD2-CE2 3.39Å; Y225-F242 AromaticContact CD2-CZ 3.6Å; Y225-F242 HydrophobicContact CD2-CZ 3.6Å; Y225-F242 HydrophobicContact CE2-CE2 4.23Å; Y225-F242 HydrophobicContact CE2-CZ 4.4Å; Y225-F242 HydrophobicContact CG-CD2 4.24Å; Y225-F242 AromaticContact CG-CE2 3.64Å; Y225-F242 HydrophobicContact CG-CE2 3.64Å; Y225-F242 HydrophobicContact CG-CZ 4.23Å; C226-F242 WeakPolarHBondContact SG-CB 3.32Å; C226-F242 VanDerWaalsContact SG-CD1 3.53Å; C226-F242 WeakPolarHBondContact SG-CG 3.31Å; T238-F242 WeakPolarHBondContact O-CB 3.19Å; T238-F242 PolarHBondContact O-N 2.86Å; T238-F242 VanDerWaalsContact O-N 3.1Å; I239-F242 PolarHBondContact O-N 3.43Å; I239-F242 VanDerWaalsContact O-N 3.15Å; C240-F242 VanDerWaalsContact C-N 3.32Å; C240-F242 PolarHBondContact O-N 3.07Å; F242-H244 PolarHBondContact O-N 3.06Å; F242-R245 PolarHBondContact O-N 3.44Å; F242-R245 VanDerWaalsContact O-N 3.09Å; F242-T246 HydrophobicContact CD1-CG2 4.29Å; F242-T246 HydrophobicContact CD2-CG2 4.38Å; F242-T246 HydrophobicContact CE1-CG2 3.81Å; F242-T246 HydrophobicContact CE2-CG2 3.89Å; F242-T246 HydrophobicContact CZ-CG2 3.57Å; F242-T246 PolarHBondContact O-N 3.21Å; F242-T246 VanDerWaalsContact O-N 3.1Å; F242-T246 PolarHBondContact O-OG1 3.29Å; F242-V304 HydrophobicContact CD1-CG1 4.08Å; F242-V304 HydrophobicContact CE1-CG1 3.92Å
243	M	98.2	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.9	-37.3	178.1	-74.5	178	61.1	0	0	112	I239 R245 T246 S247 G248 F249 I251 M300 L303 V304	I239-M243 HydrophobicContact CG2-CG 4.04Å; I239-M243 HydrophobicContact CG2-SD 3.64Å; I239-M243 WeakPolarHBondContact O-CB 3.48Å; I239-M243 WeakPolarHBondContact O-CG 3.35Å; I239-M243 PolarHBondContact O-N 2.68Å; M243-R245 PolarHBondContact O-N 3.32Å; M243-T246 WeakPolarHBondContact CA-OG1 3.49Å; M243-T246 PolarHBondContact O-N 3.16Å; M243-T246 PolarHBondContact O-OG1 3.19Å; M243-S247 PolarHBondContact O-N 3.04Å; M243-S247 PolarHBondContact O-OG 2.75Å; M243-G248 PolarHBondContact O-N 3.03Å; M243-F249 CarbonylContact C-O 3.43Å; M243-F249 VanDerWaalsContact CB-O 3.28Å; M243-F249 WeakPolarHBondContact CB-O 3.25Å; M243-F249 HydrophobicContact CE-CB 3.68Å; M243-I251 HydrophobicContact SD-CD1 4.03Å; M243-I251 HydrophobicContact SD-CG1 4.16Å; M243-M300 HydrophobicContact CE-SD 4.11Å; M243-M300 HydrophobicContact SD-SD 3.4Å; M243-L303 HydrophobicContact CE-CB 3.42Å; M243-L303 VanDerWaalsContact CE-CB 3.42Å; M243-L303 HydrophobicContact CE-CD1 4.07Å; M243-L303 HydrophobicContact CE-CG 4.39Å; M243-V304 HydrophobicContact CG-CG1 3.75Å
244	H	97.4	Very high	97.8	Very high	81 Å²	81	30.7 Å²	30.7	38%	0.375	15%	0.147	S	C	.	.	H	α-helix	trans	-63.4	-34.6	179.7	-170.2	47.3	0	0	0	111.4	C240 F242 G248 F249 R250	C240-H244 VanDerWaalsContact O-CB 3.3Å; C240-H244 WeakPolarHBondContact O-CB 3.32Å; C240-H244 PolarHBondContact O-N 3.39Å; F242-H244 PolarHBondContact O-N 3.06Å; H244-G248 PolarHBondContact ND1-O 3.37Å; H244-G248 VanDerWaalsContact O-CA 3.3Å; H244-G248 WeakPolarHBondContact O-CA 3.44Å; H244-G248 PolarHBondContact O-N 2.98Å; H244-F249 WeakPolarHBondContact CA-O 3.38Å; H244-F249 PolarHBondContact N-O 2.87Å; H244-R250 HydrophobicContact CB-CG 4.03Å; H244-R250 VanDerWaalsContact CE1-CZ 3.48Å; H244-R250 PolarHBondContact CE1-NE 3.1Å; H244-R250 VanDerWaalsContact CE1-NE 3.27Å; H244-R250 PolarHBondContact CE1-NH2 2.97Å; H244-R250 PolarHBondContact ND1-NE 3.3Å; H244-R250 PolarHBondContact NE2-NE 3.48Å; H244-R250 PolarHBondContact NE2-NH2 3.29Å
245	R	97.1	Very high	97.6	Very high	187 Å²	187	31.4 Å²	31.4	71%	0.706	15%	0.153	S	C	*	.	H	α-helix	trans	-78.2	-30.7	175.6	-66.3	-172.6	-59	-130.4	-1.2	113.7	E241 F242 M243	E241-R245 PolarHBondContact O-N 3.05Å; F242-R245 PolarHBondContact O-N 3.44Å; F242-R245 VanDerWaalsContact O-N 3.09Å; M243-R245 PolarHBondContact O-N 3.32Å
246	T	97	Very high	97.2	Very high	51 Å²	51	30.1 Å²	30.1	31%	0.313	15%	0.149	S	C	.	.	H	α-helix	trans	-90.9	-46.3	-173.6	53.5	0	0	0	0	113.1	F242 M243	F242-T246 HydrophobicContact CD1-CG2 4.29Å; F242-T246 HydrophobicContact CD2-CG2 4.38Å; F242-T246 HydrophobicContact CE1-CG2 3.81Å; F242-T246 HydrophobicContact CE2-CG2 3.89Å; F242-T246 HydrophobicContact CZ-CG2 3.57Å; F242-T246 PolarHBondContact O-N 3.21Å; F242-T246 VanDerWaalsContact O-N 3.1Å; F242-T246 PolarHBondContact O-OG1 3.29Å; M243-T246 WeakPolarHBondContact CA-OG1 3.49Å; M243-T246 PolarHBondContact O-N 3.16Å; M243-T246 PolarHBondContact O-OG1 3.19Å
247	S	97.9	Very high	96.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-4.9	-175.5	69.5	0	0	0	0	113.6	M243 F249 R270 L303	M243-S247 PolarHBondContact O-N 3.04Å; M243-S247 PolarHBondContact O-OG 2.75Å; S247-F249 PolarHBondContact O-N 3.03Å; S247-F249 PolarHBondContact OG-N 2.88Å; S247-R270 PolarHBondContact O-NH1 3.46Å; S247-L303 WeakPolarHBondContact CB-O 3.43Å; S247-L303 PolarHBondContact OG-O 3.17Å
248	G	97.5	Very high	96.4	Very high	20 Å²	20	31.5 Å²	31.5	21%	0.206	16%	0.158	C	C	.	.	S	Bend	trans	82.4	-8.3	-175.2	0	0	0	0	0	113.6	M243 H244	M243-G248 PolarHBondContact O-N 3.03Å; H244-G248 PolarHBondContact ND1-O 3.37Å; H244-G248 VanDerWaalsContact O-CA 3.3Å; H244-G248 WeakPolarHBondContact O-CA 3.44Å; H244-G248 PolarHBondContact O-N 2.98Å
249	F	98.2	Very high	96.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.			trans	-73.5	147.2	177.8	-92.7	-112.4	0	0	0	112.9	M243 H244 S247 L267 R270 F272 L303 A309 Q313	M243-F249 CarbonylContact C-O 3.43Å; M243-F249 VanDerWaalsContact CB-O 3.28Å; M243-F249 WeakPolarHBondContact CB-O 3.25Å; M243-F249 HydrophobicContact CE-CB 3.68Å; H244-F249 WeakPolarHBondContact CA-O 3.38Å; H244-F249 PolarHBondContact N-O 2.87Å; S247-F249 PolarHBondContact O-N 3.03Å; S247-F249 PolarHBondContact OG-N 2.88Å; F249-L267 HydrophobicContact CE1-CD2 4.06Å; F249-R270 CarbonylContact C-O 3.54Å; F249-R270 WeakPolarHBondContact CA-O 3.31Å; F249-R270 HydrophobicContact CB-CB 4.49Å; F249-R270 HydrophobicContact CD1-CB 4.28Å; F249-R270 WeakPolarHBondContact CD1-O 3.44Å; F249-R270 HydrophobicContact CD2-CB 3.55Å; F249-R270 HydrophobicContact CD2-CG 3.83Å; F249-R270 HydrophobicContact CE1-CB 4.4Å; F249-R270 HydrophobicContact CE2-CB 3.67Å; F249-R270 HydrophobicContact CE2-CG 3.59Å; F249-R270 HydrophobicContact CG-CB 3.87Å; F249-R270 HydrophobicContact CZ-CB 4.12Å; F249-R270 HydrophobicContact CZ-CG 4.24Å; F249-F272 HydrophobicContact CD1-CB 4.35Å; F249-L303 HydrophobicContact CD1-CD2 4.25Å; F249-L303 HydrophobicContact CE1-CD2 4.15Å; F249-A309 HydrophobicContact CD2-CB 3.62Å; F249-A309 HydrophobicContact CE2-CB 3.65Å; F249-A309 WeakPolarHBondContact CE2-O 3.5Å; F249-Q313 HydrophobicContact CE2-CB 4.39Å; F249-Q313 HydrophobicContact CZ-CB 4.41Å
250	R	97.8	Very high	95.9	Very high	58 Å²	58	32.5 Å²	32.5	22%	0.219	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	163.5	171	-66.2	-177.8	-170	142.7	2.4	109.8	H244 R270 V271 F272 E428	H244-R250 HydrophobicContact CB-CG 4.03Å; H244-R250 VanDerWaalsContact CE1-CZ 3.48Å; H244-R250 PolarHBondContact CE1-NE 3.1Å; H244-R250 VanDerWaalsContact CE1-NE 3.27Å; H244-R250 PolarHBondContact CE1-NH2 2.97Å; H244-R250 PolarHBondContact ND1-NE 3.3Å; H244-R250 PolarHBondContact NE2-NE 3.48Å; H244-R250 PolarHBondContact NE2-NH2 3.29Å; R250-R270 PolarHBondContact N-O 3.47Å; R250-V271 WeakPolarHBondContact O-CA 3.45Å; R250-F272 PolarHBondContact O-N 3.34Å; R250-E428 IonicContact CZ-OE1 2.99Å; R250-E428 IonicContact NH1-OE1 3.59Å; R250-E428 PolarHBondContact NH1-OE1 3.32Å; R250-E428 IonicContact NH1-OE2 3.34Å; R250-E428 IonicContact NH2-OE1 3.01Å; R250-E428 PolarHBondContact NH2-OE1 2.94Å
251	I	98.1	Very high	95.8	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	141.7	174.4	-62.6	175.7	0	0	0	109.2	I183 L236 I239 C240 M243 F272 C274 M300	I183-I251 HydrophobicContact CD1-CB 4.23Å; I183-I251 HydrophobicContact CD1-CG2 4.21Å; I183-I251 WeakPolarHBondContact CD1-O 3.21Å; L236-I251 HydrophobicContact CB-CG2 4.24Å; L236-I251 HydrophobicContact CD1-CG2 3.89Å; L236-I251 HydrophobicContact CD2-CG2 4.42Å; L236-I251 HydrophobicContact CG-CG2 4.41Å; I239-I251 HydrophobicContact CB-CD1 3.78Å; I239-I251 HydrophobicContact CG2-CD1 3.63Å; C240-I251 HydrophobicContact CB-CB 3.99Å; C240-I251 HydrophobicContact CB-CG1 4.34Å; C240-I251 PolarHBondContact SG-N 3.05Å; M243-I251 HydrophobicContact SD-CD1 4.03Å; M243-I251 HydrophobicContact SD-CG1 4.16Å; I251-F272 CarbonylContact C-O 3.09Å; I251-F272 WeakPolarHBondContact CA-O 3.38Å; I251-C274 HydrophobicContact CG2-CB 3.4Å; I251-M300 HydrophobicContact CD1-SD 3.64Å; I251-M300 HydrophobicContact CG1-SD 4.23Å
252	R	97.7	Very high	95.6	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.038	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.5	168.1	177.5	179.8	-173.7	99.6	15.9	108.8	D138 Y177 V271 F272 Q273 C274	D138-R252 IonicContact OD1-CZ 3.52Å; D138-R252 IonicContact OD1-NH1 2.71Å; D138-R252 PolarHBondContact OD1-NH1 2.9Å; D138-R252 IonicContact OD1-NH2 3.53Å; D138-R252 PolarHBondContact OD1-NH2 2.76Å; Y177-R252 HydrophobicContact CD1-CG 4.09Å; Y177-R252 HydrophobicContact CE1-CG 3.91Å; R252-V271 HydrophobicContact CB-CG1 3.53Å; R252-F272 PolarHBondContact N-O 3.42Å; R252-Q273 CarbonylContact O-C 3.56Å; R252-Q273 WeakPolarHBondContact O-CA 3.35Å; R252-C274 PolarHBondContact O-N 3.08Å
253	P	97.5	Very high	95.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.013	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	138	176.9	29.1	-35.8	0	0	0	110.5	A174 Y177 I183 L236 C274 Q276	A174-P253 HydrophobicContact CB-CB 4.28Å; Y177-P253 HydrophobicContact CD1-CG 3.95Å; Y177-P253 HydrophobicContact CD2-CG 3.72Å; Y177-P253 HydrophobicContact CE2-CG 4.31Å; Y177-P253 HydrophobicContact CG-CG 3.51Å; I183-P253 HydrophobicContact CG2-CB 4.26Å; I183-P253 HydrophobicContact CG2-CG 4.08Å; L236-P253 HydrophobicContact CD1-CB 4.36Å; P253-C274 WeakPolarHBondContact CA-O 3.45Å; P253-Q276 VanDerWaalsContact CB-OE1 3.3Å
254	V	95.8	Very high	95.5	Very high	15 Å²	15	31.5 Å²	31.5	9%	0.091	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	147.1	177.2	77.7	0	0	0	0	112.1	L143 A174 G256 V258 Q273 C274 T275	L143-V254 HydrophobicContact CD2-CG2 4.05Å; A174-V254 VanDerWaalsContact CB-C 3.46Å; V254-G256 VanDerWaalsContact C-N 3.33Å; V254-V258 HydrophobicContact CB-CG2 4.43Å; V254-V258 HydrophobicContact CG2-CG2 3.28Å; V254-Q273 HydrophobicContact CB-CB 4.15Å; V254-Q273 HydrophobicContact CG1-CB 4.1Å; V254-C274 PolarHBondContact N-O 3.22Å; V254-T275 HydrophobicContact CG1-CG2 3.71Å
255	A	92.3	Very high	95.5	Very high	15 Å²	15	27.9 Å²	27.9	12%	0.124	14%	0.142	C	C	.	.	S	Bend	trans	-82.4	-9.8	-172	0	0	0	0	0	113.9	L143 A171 A174 F175	L143-A255 HydrophobicContact CD1-CB 3.89Å; A171-A255 HydrophobicContact CB-CB 3.85Å; A174-A255 HydrophobicContact CB-CB 4Å; F175-A255 HydrophobicContact CD2-CB 4.4Å; F175-A255 HydrophobicContact CE1-CB 4.2Å; F175-A255 HydrophobicContact CE2-CB 3.85Å; F175-A255 HydrophobicContact CZ-CB 3.73Å
256	G	90.9	Very high	95.6	Very high	9 Å²	9	19 Å²	19	9%	0.093	11%	0.109	C	C	.	.	S	Bend	trans	168.2	-160.1	-179.1	0	0	0	0	0	111.1	V254 V258	V254-G256 VanDerWaalsContact C-N 3.33Å; G256-V258 PolarHBondContact O-N 3.42Å
257	L	89.2	Confident	95.7	Very high	45 Å²	45	16.6 Å²	16.6	24%	0.236	9%	0.094	C	C	.	.	P	Polyproline II helix	trans	-67.4	128.6	-177.3	-173.1	66.9	0	0	0	112.2	L143 L144 F147 P290	L143-L257 CarbonylContact C-O 3.59Å; L143-L257 VanDerWaalsContact CA-O 3.31Å; L143-L257 WeakPolarHBondContact CA-O 3.47Å; L144-L257 HydrophobicContact CB-CB 4.47Å; L144-L257 HydrophobicContact CB-CD2 4.27Å; L144-L257 HydrophobicContact CB-CG 4.41Å; L144-L257 HydrophobicContact CD1-CD2 3.73Å; L144-L257 HydrophobicContact CD1-CG 4.07Å; L144-L257 PolarHBondContact N-O 3.08Å; F147-L257 HydrophobicContact CD2-CB 4.19Å; F147-L257 HydrophobicContact CD2-CD2 3.36Å; F147-L257 HydrophobicContact CD2-CG 4.4Å; F147-L257 HydrophobicContact CE2-CD2 3.32Å; L257-P290 HydrophobicContact CD1-CG 4.11Å
258	V	91.2	Very high	95.7	Very high	10 Å²	10	16.6 Å²	16.6	6%	0.061	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-99.5	153.3	-178.5	-179.9	0	0	0	0	110.8	L143 V254 G256 D262 F263	L143-V258 HydrophobicContact CD2-CG2 3.81Å; V254-V258 HydrophobicContact CB-CG2 4.43Å; V254-V258 HydrophobicContact CG2-CG2 3.28Å; G256-V258 PolarHBondContact O-N 3.42Å; V258-D262 HydrophobicContact CG1-CB 3.42Å; V258-D262 VanDerWaalsContact CG1-CB 3.42Å; V258-F263 HydrophobicContact CB-CB 4.4Å; V258-F263 HydrophobicContact CG1-CB 4.33Å
259	S	92.1	Very high	95.7	Very high	22 Å²	22	15.8 Å²	15.8	15%	0.154	9%	0.085	C	C	.	.	P	Polyproline II helix	trans	-56.9	144	173.5	77.9	0	0	0	0	111	H142 R261 D262 F263	H142-S259 PolarHBondContact O-N 3.48Å; S259-R261 PolarHBondContact O-N 3.14Å; S259-R261 VanDerWaalsContact O-N 3.17Å; S259-D262 PolarHBondContact O-N 3.27Å; S259-D262 WeakPolarHBondContact OG-CB 3.26Å; S259-D262 PolarHBondContact OG-N 2.9Å; S259-F263 WeakPolarHBondContact O-CB 3.46Å; S259-F263 PolarHBondContact O-N 3.2Å
260	P	94.2	Very high	95.7	Very high	50 Å²	50	16.8 Å²	16.8	33%	0.325	9%	0.089	S	C	.	.	H	α-helix	trans	-53.9	-38.7	179.2	-29	35.7	0	0	0	113.3	L264 I327	P260-L264 VanDerWaalsContact O-CB 3.27Å; P260-L264 WeakPolarHBondContact O-CB 3.29Å; P260-L264 WeakPolarHBondContact O-CG 3.36Å; P260-L264 PolarHBondContact O-N 3.46Å; P260-I327 HydrophobicContact CB-CG2 4Å
261	R	94.7	Very high	95.8	Very high	40 Å²	40	14.4 Å²	14.4	15%	0.151	8%	0.08	C	C	.	.	H	α-helix	trans	-59.9	-51.3	178.1	-179.9	175	-71.1	-76.2	4.5	112.2	D128 S259 A265 A322 E324 I327	D128-R261 IonicContact OD2-NH2 2.83Å; S259-R261 PolarHBondContact O-N 3.14Å; S259-R261 VanDerWaalsContact O-N 3.17Å; R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 2.89Å; R261-A322 PolarHBondContact NH1-O 3.14Å; R261-A322 PolarHBondContact NH2-O 2.93Å; R261-E324 IonicContact CZ-OE1 2.82Å; R261-E324 IonicContact NE-OE1 3.46Å; R261-E324 PolarHBondContact NE-OE1 3.28Å; R261-E324 IonicContact NH2-OE1 2.56Å; R261-E324 PolarHBondContact NH2-OE1 2.82Å; R261-I327 HydrophobicContact CB-CD1 4.5Å; R261-I327 HydrophobicContact CB-CG2 4.3Å; R261-I327 HydrophobicContact CG-CD1 4.45Å
262	D	94.7	Very high	95.8	Very high	9 Å²	9	14.4 Å²	14.4	5%	0.048	8%	0.08	C	C	.	.	H	α-helix	trans	-69.6	-38.8	-178.9	-82.5	-1	0	0	0	112.4	C140 Q141 H142 V258 S259 S266	C140-D262 VanDerWaalsContact CA-CG 3.49Å; C140-D262 WeakPolarHBondContact CA-OD2 3.29Å; C140-D262 HydrophobicContact CB-CB 3.92Å; Q141-D262 PolarHBondContact N-OD2 3.1Å; H142-D262 VanDerWaalsContact CB-OD2 3.26Å; H142-D262 WeakPolarHBondContact CB-OD2 3.06Å; H142-D262 IonicContact CE1-OD2 2.84Å; H142-D262 IonicContact CG-OD2 2.64Å; H142-D262 VanDerWaalsContact CG-OD2 3.32Å; H142-D262 PolarHBondContact N-OD2 2.8Å; H142-D262 IonicContact ND1-OD1 3.53Å; H142-D262 IonicContact ND1-OD2 3.22Å; H142-D262 PolarHBondContact ND1-OD2 3.39Å; V258-D262 HydrophobicContact CG1-CB 3.42Å; V258-D262 VanDerWaalsContact CG1-CB 3.42Å; S259-D262 PolarHBondContact O-N 3.27Å; S259-D262 WeakPolarHBondContact OG-CB 3.26Å; S259-D262 PolarHBondContact OG-N 2.9Å; D262-S266 PolarHBondContact O-N 3.22Å; D262-S266 VanDerWaalsContact O-N 3.13Å; D262-S266 PolarHBondContact O-OG 2.96Å
263	F	97	Very high	95.8	Very high	34 Å²	34	14.1 Å²	14.1	15%	0.149	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-53	178.2	179	-98.2	0	0	0	110.8	V258 S259 A265 S266 L267 F272 Q273 Y334	V258-F263 HydrophobicContact CB-CB 4.4Å; V258-F263 HydrophobicContact CG1-CB 4.33Å; S259-F263 WeakPolarHBondContact O-CB 3.46Å; S259-F263 PolarHBondContact O-N 3.2Å; F263-A265 VanDerWaalsContact C-N 3.33Å; F263-A265 PolarHBondContact O-N 2.9Å; F263-S266 WeakPolarHBondContact O-CB 3.17Å; F263-S266 PolarHBondContact O-N 3.14Å; F263-S266 VanDerWaalsContact O-N 3.1Å; F263-L267 HydrophobicContact CE1-CD1 4.05Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 HydrophobicContact CZ-CD2 4.44Å; F263-L267 PolarHBondContact O-N 3.22Å; F263-F272 HydrophobicContact CE2-CD2 4.48Å; F263-F272 HydrophobicContact CE2-CE2 4.16Å; F263-F272 HydrophobicContact CE2-CZ 4.48Å; F263-F272 HydrophobicContact CZ-CD2 4.26Å; F263-F272 AromaticContact CZ-CE2 3.79Å; F263-F272 HydrophobicContact CZ-CE2 3.79Å; F263-F272 HydrophobicContact CZ-CZ 4.41Å; F263-Q273 HydrophobicContact CD2-CB 4.18Å; F263-Q273 HydrophobicContact CE2-CB 4.38Å; F263-Y334 HydrophobicContact CE1-CD1 4.37Å; F263-Y334 HydrophobicContact CE1-CD2 4.47Å; F263-Y334 AromaticContact CE1-CE1 3.71Å; F263-Y334 HydrophobicContact CE1-CE1 3.71Å; F263-Y334 AromaticContact CE1-CE2 3.84Å; F263-Y334 HydrophobicContact CE1-CE2 3.84Å; F263-Y334 AromaticContact CE1-CZ 3.43Å; F263-Y334 VanDerWaalsContact CE1-CZ 3.43Å; F263-Y334 HydrophobicContact CZ-CE1 4.25Å; F263-Y334 HydrophobicContact CZ-CE2 4.43Å; F263-Y334 AromaticContact CZ-CZ 3.8Å; F263-Y334 WeakPolarHBondContact CZ-OH 3.37Å
264	L	98	Very high	95.8	Very high	2 Å²	2	14 Å²	14	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-61.1	-41.8	177.3	-68.6	171.3	0	0	0	111.5	P260 S266 L267 A268 G316 S319 L330 Y334	P260-L264 VanDerWaalsContact O-CB 3.27Å; P260-L264 WeakPolarHBondContact O-CB 3.29Å; P260-L264 WeakPolarHBondContact O-CG 3.36Å; P260-L264 PolarHBondContact O-N 3.46Å; L264-S266 PolarHBondContact O-N 2.78Å; L264-L267 HydrophobicContact CD2-CD1 4.1Å; L264-L267 WeakPolarHBondContact O-CB 3.3Å; L264-L267 PolarHBondContact O-N 3.17Å; L264-A268 PolarHBondContact O-N 3.49Å; L264-G316 WeakPolarHBondContact O-CA 3.26Å; L264-S319 WeakPolarHBondContact CB-OG 3.42Å; L264-L330 HydrophobicContact CD1-CB 3.97Å; L264-Y334 HydrophobicContact CD2-CD2 4.24Å; L264-Y334 HydrophobicContact CD2-CG 4.39Å
265	A	97.6	Very high	95.8	Very high	5 Å²	5	13.3 Å²	13.3	4%	0.041	8%	0.075	C	C	.	.	H	α-helix	trans	-58.5	-33.1	176.7	0	0	0	0	0	112.5	P131 R261 F263 A268 F269 S319 L320	P131-A265 HydrophobicContact CG-CB 3.92Å; R261-A265 WeakPolarHBondContact O-CB 3.3Å; R261-A265 PolarHBondContact O-N 2.89Å; F263-A265 VanDerWaalsContact C-N 3.33Å; F263-A265 PolarHBondContact O-N 2.9Å; A265-A268 VanDerWaalsContact O-CB 3.26Å; A265-A268 WeakPolarHBondContact O-CB 3.46Å; A265-A268 PolarHBondContact O-N 2.88Å; A265-F269 WeakPolarHBondContact O-CD2 3.47Å; A265-S319 PolarHBondContact N-OG 2.68Å; A265-L320 HydrophobicContact CB-CD2 3.87Å
266	S	98.3	Very high	96.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.6	-37.5	175.5	-57.3	0	0	0	0	112.3	D262 F263 L264 A268 F269 V271 Q273	D262-S266 PolarHBondContact O-N 3.22Å; D262-S266 VanDerWaalsContact O-N 3.13Å; D262-S266 PolarHBondContact O-OG 2.96Å; F263-S266 WeakPolarHBondContact O-CB 3.17Å; F263-S266 PolarHBondContact O-N 3.14Å; F263-S266 VanDerWaalsContact O-N 3.1Å; L264-S266 PolarHBondContact O-N 2.78Å; S266-A268 PolarHBondContact O-N 2.88Å; S266-F269 PolarHBondContact O-N 2.93Å; S266-F269 VanDerWaalsContact O-N 3.1Å; S266-V271 CarbonylContact C-O 3.54Å; S266-V271 VanDerWaalsContact CB-O 3.29Å; S266-V271 WeakPolarHBondContact CB-O 3.43Å; S266-V271 PolarHBondContact O-N 3.07Å; S266-Q273 PolarHBondContact OG-NE2 3.29Å
267	L	98.5	Very high	96.4	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-62.2	-30.1	177	-56.1	179.1	0	0	0	112.1	F249 F263 L264 F269 R270 V271 F272 S312 Q313 Y334	F249-L267 HydrophobicContact CE1-CD2 4.06Å; F263-L267 HydrophobicContact CE1-CD1 4.05Å; F263-L267 HydrophobicContact CE1-CG 4.46Å; F263-L267 HydrophobicContact CZ-CD2 4.44Å; F263-L267 PolarHBondContact O-N 3.22Å; L264-L267 HydrophobicContact CD2-CD1 4.1Å; L264-L267 WeakPolarHBondContact O-CB 3.3Å; L264-L267 PolarHBondContact O-N 3.17Å; L267-F269 PolarHBondContact O-N 3.48Å; L267-R270 WeakPolarHBondContact O-CA 3.32Å; L267-R270 PolarHBondContact O-N 3.36Å; L267-V271 PolarHBondContact N-O 3.44Å; L267-F272 HydrophobicContact CD2-CD2 4.19Å; L267-S312 WeakPolarHBondContact CB-O 3.32Å; L267-Q313 WeakPolarHBondContact O-CA 3.24Å; L267-Y334 HydrophobicContact CD1-CD2 3.9Å; L267-Y334 HydrophobicContact CD1-CE2 3.55Å
268	A	98.2	Very high	96.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-57.6	-32.5	176.5	0	0	0	0	0	112.5	L264 A265 S266 R270 Q313 G316 L317 L320	L264-A268 PolarHBondContact O-N 3.49Å; A265-A268 VanDerWaalsContact O-CB 3.26Å; A265-A268 WeakPolarHBondContact O-CB 3.46Å; A265-A268 PolarHBondContact O-N 2.88Å; S266-A268 PolarHBondContact O-N 2.88Å; A268-R270 VanDerWaalsContact C-N 3.35Å; A268-Q313 PolarHBondContact O-NE2 2.95Å; A268-G316 VanDerWaalsContact CB-C 3.46Å; A268-G316 WeakPolarHBondContact CB-O 3.49Å; A268-L317 HydrophobicContact CB-CD2 4.12Å; A268-L317 HydrophobicContact CB-CG 4.31Å; A268-L320 HydrophobicContact CB-CD1 3.7Å; A268-L320 HydrophobicContact CB-CD2 4.22Å; A268-L320 HydrophobicContact CB-CG 4.05Å
269	F	98.4	Very high	97	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.013	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	14.3	178	-65	-93.3	0	0	0	112.6	P131 H133 I134 L137 A265 S266 L267 V271 Y423 E428 V430	P131-F269 HydrophobicContact CB-CE2 3.82Å; P131-F269 HydrophobicContact CB-CZ 4.09Å; P131-F269 HydrophobicContact CG-CE2 3.74Å; P131-F269 HydrophobicContact CG-CZ 4.44Å; P131-F269 WeakPolarHBondContact O-CZ 3.43Å; H133-F269 VanDerWaalsContact C-CE1 3.47Å; I134-F269 HydrophobicContact CB-CB 4.47Å; I134-F269 HydrophobicContact CB-CD1 3.75Å; I134-F269 HydrophobicContact CB-CE1 4.44Å; I134-F269 HydrophobicContact CB-CG 4.36Å; I134-F269 HydrophobicContact CD1-CB 4.36Å; I134-F269 HydrophobicContact CG1-CB 4.14Å; I134-F269 HydrophobicContact CG1-CD1 4.35Å; I134-F269 HydrophobicContact CG1-CG 4.49Å; L137-F269 HydrophobicContact CD1-CB 4.07Å; L137-F269 HydrophobicContact CD1-CD2 4.45Å; L137-F269 HydrophobicContact CD1-CG 4.39Å; L137-F269 HydrophobicContact CD2-CD2 4.06Å; L137-F269 HydrophobicContact CG-CD2 4.43Å; A265-F269 WeakPolarHBondContact O-CD2 3.47Å; S266-F269 PolarHBondContact O-N 2.93Å; S266-F269 VanDerWaalsContact O-N 3.1Å; L267-F269 PolarHBondContact O-N 3.48Å; F269-V271 HydrophobicContact CB-CG2 4.23Å; F269-V271 PolarHBondContact O-N 3.24Å; F269-Y423 HydrophobicContact CB-CE2 4.45Å; F269-Y423 HydrophobicContact CD1-CD2 4.16Å; F269-Y423 AromaticContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CE1-CE2 4.45Å; F269-Y423 HydrophobicContact CG-CE2 4.43Å; F269-E428 WeakPolarHBondContact CE1-O 3.48Å; F269-V430 HydrophobicContact CD1-CG2 4.46Å; F269-V430 HydrophobicContact CE1-CB 4.48Å; F269-V430 HydrophobicContact CE1-CG2 3.77Å; F269-V430 HydrophobicContact CE2-CG2 3.98Å; F269-V430 HydrophobicContact CZ-CB 4.05Å; F269-V430 HydrophobicContact CZ-CG2 3.49Å; F269-V430 VanDerWaalsContact CZ-CG2 3.49Å
270	R	98.3	Very high	97.2	Very high	21 Å²	21	10.1 Å²	10.1	8%	0.079	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	39.6	-171.8	-58.2	-165.3	173.3	-117.6	-11.6	112.5	S247 F249 R250 L267 A268 D310 Q313	S247-R270 PolarHBondContact O-NH1 3.46Å; F249-R270 CarbonylContact C-O 3.54Å; F249-R270 WeakPolarHBondContact CA-O 3.31Å; F249-R270 HydrophobicContact CB-CB 4.49Å; F249-R270 HydrophobicContact CD1-CB 4.28Å; F249-R270 WeakPolarHBondContact CD1-O 3.44Å; F249-R270 HydrophobicContact CD2-CB 3.55Å; F249-R270 HydrophobicContact CD2-CG 3.83Å; F249-R270 HydrophobicContact CE1-CB 4.4Å; F249-R270 HydrophobicContact CE2-CB 3.67Å; F249-R270 HydrophobicContact CE2-CG 3.59Å; F249-R270 HydrophobicContact CG-CB 3.87Å; F249-R270 HydrophobicContact CZ-CB 4.12Å; F249-R270 HydrophobicContact CZ-CG 4.24Å; R250-R270 PolarHBondContact N-O 3.47Å; L267-R270 WeakPolarHBondContact O-CA 3.32Å; L267-R270 PolarHBondContact O-N 3.36Å; A268-R270 VanDerWaalsContact C-N 3.35Å; R270-D310 IonicContact CZ-OD1 3.46Å; R270-D310 IonicContact NH1-OD1 3.64Å; R270-D310 PolarHBondContact NH1-OD1 3.05Å; R270-D310 VanDerWaalsContact NH1-OD1 3.1Å; R270-D310 IonicContact NH2-OD1 2.79Å; R270-D310 PolarHBondContact NH2-OD1 3.02Å; R270-Q313 HydrophobicContact CG-CB 4.3Å; R270-Q313 HydrophobicContact CG-CG 4.12Å
271	V	98.5	Very high	97.3	Very high	8 Å²	8	11.1 Å²	11.1	5%	0.048	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.5	176.2	178.1	0	0	0	0	109.2	I134 L137 R250 R252 S266 L267 F269	I134-V271 HydrophobicContact CD1-CG2 3.81Å; I134-V271 HydrophobicContact CG1-CG2 4.17Å; L137-V271 HydrophobicContact CD1-CB 3.72Å; L137-V271 HydrophobicContact CD1-CG1 4.04Å; L137-V271 HydrophobicContact CD1-CG2 3.68Å; R250-V271 WeakPolarHBondContact O-CA 3.45Å; R252-V271 HydrophobicContact CB-CG1 3.53Å; S266-V271 CarbonylContact C-O 3.54Å; S266-V271 VanDerWaalsContact CB-O 3.29Å; S266-V271 WeakPolarHBondContact CB-O 3.43Å; S266-V271 PolarHBondContact O-N 3.07Å; L267-V271 PolarHBondContact N-O 3.44Å; F269-V271 HydrophobicContact CB-CG2 4.23Å; F269-V271 PolarHBondContact O-N 3.24Å
272	F	98.4	Very high	97.3	Very high	1 Å²	1	12.6 Å²	12.6	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	125.8	172.9	-171.9	-91.8	0	0	0	110.1	F249 R250 I251 R252 F263 L267 C274 E295 H299 M300 L303	F249-F272 HydrophobicContact CD1-CB 4.35Å; R250-F272 PolarHBondContact O-N 3.34Å; I251-F272 CarbonylContact C-O 3.09Å; I251-F272 WeakPolarHBondContact CA-O 3.38Å; R252-F272 PolarHBondContact N-O 3.42Å; F263-F272 HydrophobicContact CE2-CD2 4.48Å; F263-F272 HydrophobicContact CE2-CE2 4.16Å; F263-F272 HydrophobicContact CE2-CZ 4.48Å; F263-F272 HydrophobicContact CZ-CD2 4.26Å; F263-F272 AromaticContact CZ-CE2 3.79Å; F263-F272 HydrophobicContact CZ-CE2 3.79Å; F263-F272 HydrophobicContact CZ-CZ 4.41Å; L267-F272 HydrophobicContact CD2-CD2 4.19Å; F272-C274 HydrophobicContact CD1-CB 4.03Å; F272-C274 HydrophobicContact CE1-CB 4.24Å; F272-E295 HydrophobicContact CE1-CB 4.36Å; F272-E295 WeakPolarHBondContact CE1-OE2 3.47Å; F272-E295 WeakPolarHBondContact CZ-OE2 3.48Å; F272-H299 HydrophobicContact CE1-CB 4.27Å; F272-H299 HydrophobicContact CE2-CB 4.09Å; F272-H299 AromaticContact CE2-CG 3.76Å; F272-H299 AromaticContact CE2-ND1 3.77Å; F272-H299 HydrophobicContact CZ-CB 3.75Å; F272-H299 AromaticContact CZ-CD2 3.52Å; F272-H299 AromaticContact CZ-CG 3.45Å; F272-H299 VanDerWaalsContact CZ-CG 3.45Å; F272-H299 AromaticContact CZ-ND1 3.92Å; F272-M300 HydrophobicContact CD1-CE 3.48Å; F272-M300 VanDerWaalsContact CD1-CE 3.48Å; F272-M300 HydrophobicContact CE1-CE 3.58Å; F272-M300 HydrophobicContact CG-CE 4.13Å; F272-M300 HydrophobicContact CZ-CE 4.3Å; F272-L303 HydrophobicContact CB-CD1 4.04Å; F272-L303 HydrophobicContact CD1-CD1 4.4Å; F272-L303 HydrophobicContact CD2-CD1 3.45Å; F272-L303 VanDerWaalsContact CD2-CD1 3.45Å; F272-L303 HydrophobicContact CE2-CD1 3.96Å; F272-L303 HydrophobicContact CG-CD1 3.69Å
273	Q	97.3	Very high	97.2	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.019	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.6	176.9	-60.3	-165.6	-5.4	0	0	109.5	C140 R252 V254 F263 S266	C140-Q273 PolarHBondContact O-NE2 2.77Å; R252-Q273 CarbonylContact O-C 3.56Å; R252-Q273 WeakPolarHBondContact O-CA 3.35Å; V254-Q273 HydrophobicContact CB-CB 4.15Å; V254-Q273 HydrophobicContact CG1-CB 4.1Å; F263-Q273 HydrophobicContact CD2-CB 4.18Å; F263-Q273 HydrophobicContact CE2-CB 4.38Å; S266-Q273 PolarHBondContact OG-NE2 3.29Å
274	C	97.8	Very high	97	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	127.3	-167	-174.3	0	0	0	0	111.2	L236 I251 R252 P253 V254 F272 E295	L236-C274 HydrophobicContact CD1-CB 4.13Å; L236-C274 HydrophobicContact CD2-CB 4.45Å; L236-C274 VanDerWaalsContact CD2-SG 3.52Å; I251-C274 HydrophobicContact CG2-CB 3.4Å; R252-C274 PolarHBondContact O-N 3.08Å; P253-C274 WeakPolarHBondContact CA-O 3.45Å; V254-C274 PolarHBondContact N-O 3.22Å; F272-C274 HydrophobicContact CD1-CB 4.03Å; F272-C274 HydrophobicContact CE1-CB 4.24Å; C274-E295 WeakPolarHBondContact SG-CB 3.37Å
275	T	96.8	Very high	96.7	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	146.4	174.6	59.8	0	0	0	0	111.1	V254 Y277 P290 D291 C292 E295	V254-T275 HydrophobicContact CG1-CG2 3.71Å; T275-Y277 HydrophobicContact CG2-CE1 3.66Å; T275-P290 WeakPolarHBondContact CG2-O 3.03Å; T275-P290 PolarHBondContact OG1-O 3.01Å; T275-D291 WeakPolarHBondContact OG1-CA 3.49Å; T275-C292 WeakPolarHBondContact O-CB 3.28Å; T275-C292 PolarHBondContact OG1-N 3.31Å; T275-E295 WeakPolarHBondContact OG1-CG 3.12Å
276	Q	97.4	Very high	96.2	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.014	12%	0.12	C	C	.	.			trans	-105.8	-17.5	-179	-72	-179	-92.2	0	0	113.5	I170 P184 V186 Y188 L236 P253	I170-Q276 HydrophobicContact CG2-CB 3.54Å; P184-Q276 PolarHBondContact O-NE2 3.32Å; V186-Q276 HydrophobicContact CG2-CB 4.33Å; V186-Q276 VanDerWaalsContact CG2-NE2 3.26Å; Y188-Q276 VanDerWaalsContact CE1-O 3.31Å; Y188-Q276 WeakPolarHBondContact CE1-O 3.37Å; Y188-Q276 PolarHBondContact OH-O 3.46Å; L236-Q276 HydrophobicContact CD1-CG 3.25Å; L236-Q276 HydrophobicContact CG-CG 3.8Å; P253-Q276 VanDerWaalsContact CB-OE1 3.3Å
277	Y	96.7	Very high	95.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	13%	0.129	C	C	.	.			trans	-76.6	154.8	178.6	58.4	-100.8	0	0	0	110.9	R167 T275 E289 P290 D291 C292	R167-Y277 VanDerWaalsContact CD-CG 3.41Å; R167-Y277 VanDerWaalsContact NE-CD1 3.27Å; T275-Y277 HydrophobicContact CG2-CE1 3.66Å; Y277-E289 HydrophobicContact CE2-CG 4.1Å; Y277-E289 PolarHBondContact OH-OE2 2.93Å; Y277-E289 VanDerWaalsContact OH-OE2 3.13Å; Y277-P290 PolarHBondContact OH-O 2.84Å; Y277-D291 HydrophobicContact CD2-CB 4Å; Y277-D291 HydrophobicContact CE2-CB 3.89Å; Y277-D291 WeakPolarHBondContact O-CB 3.29Å; Y277-C292 WeakPolarHBondContact O-CB 3.37Å; Y277-C292 PolarHBondContact O-N 3.31Å; Y277-C292 PolarHBondContact O-SG 3.09Å; Y277-C292 VanDerWaalsContact O-SG 3.41Å
278	I	97.2	Very high	95	Very high	7 Å²	7	27.7 Å²	27.7	4%	0.036	14%	0.139	C	C	.	.			trans	-106.6	149.9	176.2	-167.2	164.4	0	0	0	110.4	Y163 E192 T195 W196 I233 I293	Y163-I278 WeakPolarHBondContact CE2-O 3.47Å; Y163-I278 PolarHBondContact OH-O 3.36Å; E192-I278 HydrophobicContact CB-CG2 3.81Å; E192-I278 HydrophobicContact CG-CG2 3.56Å; E192-I278 VanDerWaalsContact O-CD1 3.31Å; E192-I278 WeakPolarHBondContact O-CD1 3.18Å; T195-I278 HydrophobicContact CG2-CD1 3.85Å; T195-I278 HydrophobicContact CG2-CG1 4.1Å; W196-I278 HydrophobicContact CB-CD1 3.88Å; I233-I278 HydrophobicContact CD1-CD1 3.96Å; I278-I293 HydrophobicContact CD1-CD1 3.8Å; I278-I293 HydrophobicContact CD1-CG1 4.18Å; I278-I293 HydrophobicContact CG1-CD1 3.83Å; I278-I293 HydrophobicContact CG1-CG1 4.21Å
279	R	96.1	Very high	94.5	Very high	9 Å²	9	28.2 Å²	28.2	3%	0.034	14%	0.141	C	C	.	.			trans	-54	158.7	170.1	65.2	-167.9	63	-178.2	-3.4	112.1	T195 H281 P284 D291 I293	T195-R279 HydrophobicContact CG2-CG 4.2Å; R279-H281 PolarHBondContact O-N 3.21Å; R279-P284 WeakPolarHBondContact CD-O 3.5Å; R279-P284 PolarHBondContact NH1-O 3.19Å; R279-D291 HydrophobicContact CB-CB 4.37Å; R279-D291 VanDerWaalsContact CB-OD2 3.28Å; R279-D291 WeakPolarHBondContact CB-OD2 3.27Å; R279-D291 VanDerWaalsContact CG-OD2 3.29Å; R279-D291 WeakPolarHBondContact CG-OD2 3.39Å; R279-D291 IonicContact CZ-OD1 2.98Å; R279-D291 IonicContact CZ-OD2 3.87Å; R279-D291 PolarHBondContact N-OD2 2.92Å; R279-D291 VanDerWaalsContact NE-CG 3.32Å; R279-D291 IonicContact NE-OD1 2.66Å; R279-D291 PolarHBondContact NE-OD1 3.39Å; R279-D291 IonicContact NE-OD2 3.61Å; R279-D291 PolarHBondContact NE-OD2 3.17Å; R279-D291 IonicContact NH2-OD1 4Å; R279-D291 PolarHBondContact NH2-OD1 2.98Å; R279-D291 IonicContact NH2-OD2 2.88Å; R279-I293 HydrophobicContact CG-CD1 4.14Å; R279-I293 VanDerWaalsContact NH2-CG2 3.29Å
280	H	96.4	Very high	94.2	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.056	15%	0.148	C	C	.	.			trans	-66.4	132	-175.5	-165	-85.1	0	0	0	112.9	P156 D160 Y163 S282 R283	P156-H280 HydrophobicContact CB-CB 3.62Å; P156-H280 HydrophobicContact CG-CB 4.41Å; D160-H280 IonicContact OD2-NE2 3.28Å; D160-H280 PolarHBondContact OD2-NE2 3.06Å; Y163-H280 AromaticContact CD2-CD2 3.64Å; Y163-H280 HydrophobicContact CE2-CB 4.16Å; Y163-H280 AromaticContact CG-CD2 3.66Å; H280-S282 PolarHBondContact CE1-OG 2.65Å; H280-S282 WeakPolarHBondContact ND1-CB 3.43Å; H280-S282 PolarHBondContact ND1-N 3.47Å; H280-S282 PolarHBondContact ND1-OG 3.01Å; H280-S282 PolarHBondContact O-N 3.48Å; H280-S282 VanDerWaalsContact O-N 3.1Å; H280-R283 CarbonylContact O-C 3.48Å; H280-R283 PolarHBondContact O-N 3.36Å
281	H	96	Very high	94.1	Very high	72 Å²	72	28.2 Å²	28.2	33%	0.333	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.6	-176.2	71.4	101.8	0	0	0	114.7	E191 T195 R279 R283 P284	E191-H281 HydrophobicContact CG-CB 3.57Å; E191-H281 IonicContact OE1-CD2 3.35Å; E191-H281 IonicContact OE1-CE1 3.76Å; E191-H281 PolarHBondContact OE1-CE1 2.9Å; E191-H281 VanDerWaalsContact OE1-CE1 3.3Å; E191-H281 IonicContact OE1-CG 3.53Å; E191-H281 IonicContact OE1-ND1 3.4Å; E191-H281 PolarHBondContact OE1-ND1 3.25Å; E191-H281 VanDerWaalsContact OE1-ND1 3.08Å; E191-H281 IonicContact OE1-NE2 3.08Å; E191-H281 IonicContact OE2-CD2 3.76Å; E191-H281 PolarHBondContact OE2-CD2 3.1Å; E191-H281 IonicContact OE2-CG 3.18Å; E191-H281 IonicContact OE2-NE2 3.84Å; T195-H281 WeakPolarHBondContact OG1-CA 3.25Å; T195-H281 WeakPolarHBondContact OG1-CB 3.29Å; R279-H281 PolarHBondContact O-N 3.21Å; H281-R283 VanDerWaalsContact C-N 3.28Å; H281-R283 PolarHBondContact O-N 2.95Å; H281-P284 WeakPolarHBondContact O-CD 3.35Å
282	S	95.2	Very high	94	Very high	71 Å²	71	27.8 Å²	27.8	50%	0.497	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.6	175.5	74.5	0	0	0	0	114.3	H280	H280-S282 PolarHBondContact CE1-OG 2.65Å; H280-S282 WeakPolarHBondContact ND1-CB 3.43Å; H280-S282 PolarHBondContact ND1-N 3.47Å; H280-S282 PolarHBondContact ND1-OG 3.01Å; H280-S282 PolarHBondContact O-N 3.48Å; H280-S282 VanDerWaalsContact O-N 3.1Å
283	R	93.1	Very high	94	Very high	126 Å²	126	27.8 Å²	27.8	48%	0.475	14%	0.142	S	C	.	.	S	Bend	trans	-135.2	62.1	177.8	-63.9	-162.3	-174.4	166.5	-0.3	110.8	P156 H280 H281 M285 H286	P156-R283 HydrophobicContact CG-CB 4.35Å; P156-R283 HydrophobicContact CG-CG 4.16Å; H280-R283 CarbonylContact O-C 3.48Å; H280-R283 PolarHBondContact O-N 3.36Å; H281-R283 VanDerWaalsContact C-N 3.28Å; H281-R283 PolarHBondContact O-N 2.95Å; R283-M285 PolarHBondContact O-N 2.98Å; R283-M285 VanDerWaalsContact O-N 3.08Å; R283-H286 PolarHBondContact O-N 2.86Å
284	P	93.5	Very high	94	Very high	25 Å²	25	28.7 Å²	28.7	16%	0.162	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.5	-173	26.8	-34.3	0	0	0	112.8	T195 L198 V199 R279 H281 H286	T195-P284 HydrophobicContact CG2-CB 4.04Å; L198-P284 HydrophobicContact CD2-CB 3.84Å; L198-P284 HydrophobicContact CD2-CG 3.51Å; V199-P284 HydrophobicContact CG2-CB 4.15Å; V199-P284 WeakPolarHBondContact CG2-O 3.34Å; R279-P284 WeakPolarHBondContact CD-O 3.5Å; R279-P284 PolarHBondContact NH1-O 3.19Å; H281-P284 WeakPolarHBondContact O-CD 3.35Å; P284-H286 VanDerWaalsContact C-N 3.34Å; P284-H286 PolarHBondContact O-N 3.36Å
285	M	91.5	Very high	94	Very high	60 Å²	60	29.2 Å²	29.2	30%	0.296	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	3.5	-179.1	-55.6	-57	-62.5	0	0	114	V199 K202 R283 Y360	V199-M285 HydrophobicContact CG2-SD 4.15Å; K202-M285 HydrophobicContact CB-CE 4.47Å; K202-M285 HydrophobicContact CD-CE 3.46Å; K202-M285 VanDerWaalsContact CD-CE 3.46Å; K202-M285 HydrophobicContact CD-SD 4.1Å; K202-M285 HydrophobicContact CG-CE 4Å; R283-M285 PolarHBondContact O-N 2.98Å; R283-M285 VanDerWaalsContact O-N 3.08Å; M285-Y360 HydrophobicContact CE-CG 4.17Å
286	H	86.6	Confident	94.1	Very high	92 Å²	92	29.1 Å²	29.1	43%	0.426	15%	0.148	S	C	.	.			trans	-143.8	139.1	-176.1	172.4	75.7	0	0	0	111.5	R283 P284	R283-H286 PolarHBondContact O-N 2.86Å; P284-H286 VanDerWaalsContact C-N 3.34Å; P284-H286 PolarHBondContact O-N 3.36Å
287	T	86.8	Confident	94.1	Very high	32 Å²	32	29 Å²	29	20%	0.196	15%	0.148	C	C	.	.			trans	-141.4	137	171.4	-174.7	0	0	0	0	109.1	E289	T287-E289 WeakPolarHBondContact CB-O 3.36Å; T287-E289 WeakPolarHBondContact CG2-O 3.19Å; T287-E289 PolarHBondContact OG1-N 2.85Å; T287-E289 PolarHBondContact OG1-O 3.37Å
288	P	84.8	Confident	94.2	Very high	33 Å²	33	29 Å²	29	21%	0.214	15%	0.147	C	C	.	.	S	Bend	trans	-76.9	-13	172.9	31	-33.8	0	0	0	112.6	F147 H155	F147-P288 WeakPolarHBondContact CD1-O 3.35Å; F147-P288 WeakPolarHBondContact CE1-O 3.44Å; H155-P288 WeakPolarHBondContact CD2-CG 3.48Å
289	E	87.6	Confident	94.2	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.047	15%	0.146	C	C	.	.	S	Bend	trans	-140.3	158.2	-174.7	73.7	-175.5	140.6	0	0	111.2	F147 H155 R167 Y277 T287 D291	F147-E289 HydrophobicContact CB-CB 3.78Å; F147-E289 HydrophobicContact CD1-CB 4.26Å; F147-E289 HydrophobicContact CG-CB 4.01Å; H155-E289 IonicContact NE2-OE1 3.84Å; R167-E289 IonicContact CZ-OE1 3.74Å; R167-E289 IonicContact CZ-OE2 3.53Å; R167-E289 IonicContact NH1-OE1 3.8Å; R167-E289 PolarHBondContact NH1-OE1 3.23Å; R167-E289 IonicContact NH2-OE1 2.85Å; R167-E289 PolarHBondContact NH2-OE1 2.93Å; R167-E289 IonicContact NH2-OE2 3.77Å; R167-E289 PolarHBondContact NH2-OE2 3.31Å; Y277-E289 HydrophobicContact CE2-CG 4.1Å; Y277-E289 PolarHBondContact OH-OE2 2.93Å; Y277-E289 VanDerWaalsContact OH-OE2 3.13Å; T287-E289 WeakPolarHBondContact CB-O 3.36Å; T287-E289 WeakPolarHBondContact CG2-O 3.19Å; T287-E289 PolarHBondContact OG1-N 2.85Å; T287-E289 PolarHBondContact OG1-O 3.37Å; E289-D291 PolarHBondContact O-N 3.41Å; E289-D291 VanDerWaalsContact O-N 3.13Å
290	P	92.5	Very high	94.4	Very high	24 Å²	24	28.3 Å²	28.3	16%	0.156	15%	0.145	C	C	.	.			trans	-68.5	113.4	178.9	28.5	-34.8	0	0	0	110.5	L257 T275 Y277 H294	L257-P290 HydrophobicContact CD1-CG 4.11Å; T275-P290 WeakPolarHBondContact CG2-O 3.03Å; T275-P290 PolarHBondContact OG1-O 3.01Å; Y277-P290 PolarHBondContact OH-O 2.84Å; P290-H294 HydrophobicContact CB-CB 4.34Å; P290-H294 VanDerWaalsContact CB-CD2 3.42Å; P290-H294 WeakPolarHBondContact CB-CD2 3.4Å
291	D	96.1	Very high	94.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.			trans	-103.1	176.2	174.3	76.4	-41.7	0	0	0	110.9	T275 Y277 R279 E289 I293 H294 E295	T275-D291 WeakPolarHBondContact OG1-CA 3.49Å; Y277-D291 HydrophobicContact CD2-CB 4Å; Y277-D291 HydrophobicContact CE2-CB 3.89Å; Y277-D291 WeakPolarHBondContact O-CB 3.29Å; R279-D291 HydrophobicContact CB-CB 4.37Å; R279-D291 VanDerWaalsContact CB-OD2 3.28Å; R279-D291 WeakPolarHBondContact CB-OD2 3.27Å; R279-D291 VanDerWaalsContact CG-OD2 3.29Å; R279-D291 WeakPolarHBondContact CG-OD2 3.39Å; R279-D291 IonicContact CZ-OD1 2.98Å; R279-D291 IonicContact CZ-OD2 3.87Å; R279-D291 PolarHBondContact N-OD2 2.92Å; R279-D291 VanDerWaalsContact NE-CG 3.32Å; R279-D291 IonicContact NE-OD1 2.66Å; R279-D291 PolarHBondContact NE-OD1 3.39Å; R279-D291 IonicContact NE-OD2 3.61Å; R279-D291 PolarHBondContact NE-OD2 3.17Å; R279-D291 IonicContact NH2-OD1 4Å; R279-D291 PolarHBondContact NH2-OD1 2.98Å; R279-D291 IonicContact NH2-OD2 2.88Å; E289-D291 PolarHBondContact O-N 3.41Å; E289-D291 VanDerWaalsContact O-N 3.13Å; D291-I293 PolarHBondContact O-N 3.27Å; D291-I293 VanDerWaalsContact O-N 3.07Å; D291-H294 WeakPolarHBondContact O-CA 3.49Å; D291-H294 VanDerWaalsContact O-CB 3.3Å; D291-H294 WeakPolarHBondContact O-CB 3.26Å; D291-H294 PolarHBondContact O-N 2.87Å; D291-H294 PolarHBondContact OD1-N 2.89Å; D291-E295 WeakPolarHBondContact O-CG 3.19Å; D291-E295 PolarHBondContact O-N 2.88Å
292	C	97.3	Very high	94.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-26.2	-177.9	70	0	0	0	0	113.1	T275 Y277 L296	T275-C292 WeakPolarHBondContact O-CB 3.28Å; T275-C292 PolarHBondContact OG1-N 3.31Å; Y277-C292 WeakPolarHBondContact O-CB 3.37Å; Y277-C292 PolarHBondContact O-N 3.31Å; Y277-C292 PolarHBondContact O-SG 3.09Å; Y277-C292 VanDerWaalsContact O-SG 3.41Å; C292-L296 HydrophobicContact CB-CD1 4.39Å; C292-L296 WeakPolarHBondContact O-CB 3.49Å; C292-L296 WeakPolarHBondContact O-CG 3.37Å; C292-L296 PolarHBondContact O-N 3.1Å
293	I	98	Very high	94.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-48.1	170.3	-72	168.7	0	0	0	110.6	W196 V199 I278 R279 D291 E295 I297	W196-I293 HydrophobicContact CE3-CG1 3.72Å; W196-I293 HydrophobicContact CZ3-CG1 4.19Å; V199-I293 HydrophobicContact CB-CD1 3.99Å; V199-I293 HydrophobicContact CB-CG2 4.45Å; V199-I293 HydrophobicContact CG1-CD1 4.35Å; V199-I293 HydrophobicContact CG1-CG2 3.73Å; V199-I293 HydrophobicContact CG2-CD1 3.91Å; I278-I293 HydrophobicContact CD1-CD1 3.8Å; I278-I293 HydrophobicContact CD1-CG1 4.18Å; I278-I293 HydrophobicContact CG1-CD1 3.83Å; I278-I293 HydrophobicContact CG1-CG1 4.21Å; R279-I293 HydrophobicContact CG-CD1 4.14Å; R279-I293 VanDerWaalsContact NH2-CG2 3.29Å; D291-I293 PolarHBondContact O-N 3.27Å; D291-I293 VanDerWaalsContact O-N 3.07Å; I293-E295 VanDerWaalsContact C-N 3.31Å; I293-E295 PolarHBondContact O-N 2.84Å; I293-I297 HydrophobicContact CG2-CD1 4.14Å; I293-I297 VanDerWaalsContact O-CB 3.28Å; I293-I297 WeakPolarHBondContact O-CB 3.36Å; I293-I297 PolarHBondContact O-N 2.97Å
294	H	97.2	Very high	95	Very high	23 Å²	23	15.5 Å²	15.5	11%	0.106	8%	0.083	C	C	.	.	I	π-helix	trans	-56.1	-47.8	176.3	175.4	82.9	0	0	0	111.3	P290 D291 G298 H299 E339 S358	P290-H294 HydrophobicContact CB-CB 4.34Å; P290-H294 VanDerWaalsContact CB-CD2 3.42Å; P290-H294 WeakPolarHBondContact CB-CD2 3.4Å; D291-H294 WeakPolarHBondContact O-CA 3.49Å; D291-H294 VanDerWaalsContact O-CB 3.3Å; D291-H294 WeakPolarHBondContact O-CB 3.26Å; D291-H294 PolarHBondContact O-N 2.87Å; D291-H294 PolarHBondContact OD1-N 2.89Å; H294-G298 WeakPolarHBondContact O-CA 3.47Å; H294-G298 PolarHBondContact O-N 3.34Å; H294-H299 AromaticContact CD2-CD2 3.85Å; H294-H299 AromaticContact CD2-NE2 3.88Å; H294-H299 AromaticContact CE1-NE2 3.88Å; H294-H299 AromaticContact NE2-CD2 3.57Å; H294-H299 AromaticContact NE2-NE2 3.14Å; H294-H299 PolarHBondContact NE2-NE2 3.06Å; H294-H299 VanDerWaalsContact NE2-NE2 3.14Å; H294-E339 IonicContact CE1-OE2 3.51Å; H294-E339 PolarHBondContact CE1-OE2 3.22Å; H294-E339 IonicContact NE2-OE2 2.64Å; H294-E339 PolarHBondContact NE2-OE2 2.89Å; H294-S358 PolarHBondContact ND1-OG 3.36Å
295	E	97.9	Very high	95.2	Very high	11 Å²	11	16.1 Å²	16.1	5%	0.051	9%	0.085	C	C	.	.	I	π-helix	trans	-68.5	-50.8	-178.4	-49.6	-59.5	-178.3	0	0	112.5	F272 C274 T275 D291 I293 H299 M300	F272-E295 HydrophobicContact CE1-CB 4.36Å; F272-E295 WeakPolarHBondContact CE1-OE2 3.47Å; F272-E295 WeakPolarHBondContact CZ-OE2 3.48Å; C274-E295 WeakPolarHBondContact SG-CB 3.37Å; T275-E295 WeakPolarHBondContact OG1-CG 3.12Å; D291-E295 WeakPolarHBondContact O-CG 3.19Å; D291-E295 PolarHBondContact O-N 2.88Å; I293-E295 VanDerWaalsContact C-N 3.31Å; I293-E295 PolarHBondContact O-N 2.84Å; E295-H299 WeakPolarHBondContact O-CB 3.43Å; E295-H299 PolarHBondContact O-N 3.18Å; E295-H299 IonicContact OE2-CD2 2.67Å; E295-H299 PolarHBondContact OE2-CD2 3.17Å; E295-M300 WeakPolarHBondContact O-CE 3.45Å; E295-M300 WeakPolarHBondContact O-CG 3.36Å; E295-M300 PolarHBondContact O-N 3.14Å
296	L	98.5	Very high	95.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-75.8	-42	-170.4	-62.2	-175	0	0	0	112.6	W196 Y228 I233 P234 L236 I239 C292 M300	W196-L296 HydrophobicContact CH2-CB 4Å; W196-L296 HydrophobicContact CH2-CD1 4.31Å; W196-L296 HydrophobicContact CZ3-CB 4.01Å; W196-L296 HydrophobicContact CZ3-CD1 4.14Å; Y228-L296 VanDerWaalsContact CE1-O 3.25Å; Y228-L296 WeakPolarHBondContact CE1-O 3.33Å; Y228-L296 WeakPolarHBondContact OH-CA 3.38Å; Y228-L296 WeakPolarHBondContact OH-CB 3.46Å; Y228-L296 PolarHBondContact OH-O 2.94Å; I233-L296 HydrophobicContact CG2-CD1 4.26Å; P234-L296 HydrophobicContact CB-CD1 4.32Å; L236-L296 HydrophobicContact CD2-CD2 3.75Å; I239-L296 HydrophobicContact CD1-CD1 4.48Å; I239-L296 HydrophobicContact CD1-CD2 3.42Å; I239-L296 VanDerWaalsContact CD1-CD2 3.42Å; I239-L296 HydrophobicContact CD1-CG 4.49Å; C292-L296 HydrophobicContact CB-CD1 4.39Å; C292-L296 WeakPolarHBondContact O-CB 3.49Å; C292-L296 WeakPolarHBondContact O-CG 3.37Å; C292-L296 PolarHBondContact O-N 3.1Å; L296-M300 HydrophobicContact CD2-CG 3.94Å
297	I	98	Very high	95.9	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	9%	0.091	C	C	.	.	I	π-helix	trans	-86.3	-38	179.1	-59.6	-171.9	0	0	0	110.5	W196 F200 M203 Y215 F219 I293	W196-I297 HydrophobicContact CH2-CD1 4.01Å; W196-I297 HydrophobicContact CH2-CG1 3.69Å; W196-I297 HydrophobicContact CZ3-CD1 4.02Å; W196-I297 HydrophobicContact CZ3-CG1 3.85Å; F200-I297 HydrophobicContact CB-CD1 4.21Å; F200-I297 HydrophobicContact CD2-CD1 4.06Å; M203-I297 HydrophobicContact CB-CG2 4.42Å; Y215-I297 WeakPolarHBondContact CE2-O 3.11Å; Y215-I297 PolarHBondContact OH-O 3.42Å; F219-I297 HydrophobicContact CE2-CG2 4.35Å; I293-I297 HydrophobicContact CG2-CD1 4.14Å; I293-I297 VanDerWaalsContact O-CB 3.28Å; I293-I297 WeakPolarHBondContact O-CB 3.36Å; I293-I297 PolarHBondContact O-N 2.97Å
298	G	97.9	Very high	96.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	I	π-helix	trans	-74.8	-59.9	-178	0	0	0	0	0	112.7	H294 A354	H294-G298 WeakPolarHBondContact O-CA 3.47Å; H294-G298 PolarHBondContact O-N 3.34Å; G298-A354 VanDerWaalsContact C-CB 3.43Å
299	H	98.5	Very high	97.1	Very high	3 Å²	3	15.6 Å²	15.6	1%	0.014	7%	0.071	C	C	.	.	I	π-helix	trans	-88.6	-45.6	-166.3	-75.2	-75.6	0	0	0	114.3	F272 H294 E295 P301 M302 L303 Y334 E339 A354	F272-H299 HydrophobicContact CE1-CB 4.27Å; F272-H299 HydrophobicContact CE2-CB 4.09Å; F272-H299 AromaticContact CE2-CG 3.76Å; F272-H299 AromaticContact CE2-ND1 3.77Å; F272-H299 HydrophobicContact CZ-CB 3.75Å; F272-H299 AromaticContact CZ-CD2 3.52Å; F272-H299 AromaticContact CZ-CG 3.45Å; F272-H299 VanDerWaalsContact CZ-CG 3.45Å; F272-H299 AromaticContact CZ-ND1 3.92Å; H294-H299 AromaticContact CD2-CD2 3.85Å; H294-H299 AromaticContact CD2-NE2 3.88Å; H294-H299 AromaticContact CE1-NE2 3.88Å; H294-H299 AromaticContact NE2-CD2 3.57Å; H294-H299 AromaticContact NE2-NE2 3.14Å; H294-H299 PolarHBondContact NE2-NE2 3.06Å; H294-H299 VanDerWaalsContact NE2-NE2 3.14Å; E295-H299 WeakPolarHBondContact O-CB 3.43Å; E295-H299 PolarHBondContact O-N 3.18Å; E295-H299 IonicContact OE2-CD2 2.67Å; E295-H299 PolarHBondContact OE2-CD2 3.17Å; H299-P301 VanDerWaalsContact C-CD 3.47Å; H299-M302 PolarHBondContact O-N 2.87Å; H299-M302 VanDerWaalsContact O-N 3.12Å; H299-L303 HydrophobicContact CB-CD1 4.06Å; H299-L303 PolarHBondContact O-N 3.48Å; H299-Y334 PolarHBondContact CE1-OH 2.66Å; H299-E339 IonicContact CE1-OE1 2.9Å; H299-E339 PolarHBondContact CE1-OE1 2.91Å; H299-E339 IonicContact CE1-OE2 3.83Å; H299-E339 IonicContact NE2-OE1 2.68Å; H299-E339 PolarHBondContact NE2-OE1 3.24Å; H299-E339 IonicContact NE2-OE2 3.17Å; H299-A354 HydrophobicContact CB-CB 4.39Å; H299-A354 WeakPolarHBondContact CE1-CB 3.48Å; H299-A354 WeakPolarHBondContact ND1-CB 3.4Å; H299-A354 VanDerWaalsContact NE2-CB 3.32Å; H299-A354 WeakPolarHBondContact NE2-CB 3.45Å
300	M	98.5	Very high	97.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.3	-40.2	-168.9	-55.2	-60.1	105.9	0	0	114.3	L222 Y228 I239 M243 I251 F272 E295 L296 M302 L303 V304	L222-M300 HydrophobicContact CD1-CB 3.78Å; Y228-M300 WeakPolarHBondContact OH-CB 3.44Å; Y228-M300 WeakPolarHBondContact OH-CG 3.22Å; I239-M300 HydrophobicContact CG2-CG 4.22Å; I239-M300 HydrophobicContact CG2-SD 4.08Å; M243-M300 HydrophobicContact CE-SD 4.11Å; M243-M300 HydrophobicContact SD-SD 3.4Å; I251-M300 HydrophobicContact CD1-SD 3.64Å; I251-M300 HydrophobicContact CG1-SD 4.23Å; F272-M300 HydrophobicContact CD1-CE 3.48Å; F272-M300 VanDerWaalsContact CD1-CE 3.48Å; F272-M300 HydrophobicContact CE1-CE 3.58Å; F272-M300 HydrophobicContact CG-CE 4.13Å; F272-M300 HydrophobicContact CZ-CE 4.3Å; E295-M300 WeakPolarHBondContact O-CE 3.45Å; E295-M300 WeakPolarHBondContact O-CG 3.36Å; E295-M300 PolarHBondContact O-N 3.14Å; L296-M300 HydrophobicContact CD2-CG 3.94Å; M300-M302 VanDerWaalsContact C-N 3.27Å; M300-M302 PolarHBondContact O-N 2.94Å; M300-L303 HydrophobicContact CE-CD1 3.9Å; M300-L303 PolarHBondContact O-N 3.07Å; M300-V304 PolarHBondContact O-N 3.31Å; M300-V304 VanDerWaalsContact O-N 3.08Å
301	P	98.4	Very high	97.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59.8	-35.5	178.4	-25.9	36.3	0	0	0	113.5	Y215 G218 F219 L222 H299 V304	Y215-P301 HydrophobicContact CD1-CB 4.48Å; Y215-P301 HydrophobicContact CD2-CB 3.69Å; Y215-P301 HydrophobicContact CD2-CG 4.25Å; Y215-P301 HydrophobicContact CE1-CB 4.44Å; Y215-P301 HydrophobicContact CE1-CG 4.49Å; Y215-P301 HydrophobicContact CE2-CB 3.61Å; Y215-P301 HydrophobicContact CE2-CG 3.63Å; Y215-P301 HydrophobicContact CG-CB 4.12Å; G218-P301 WeakPolarHBondContact CA-O 3.28Å; F219-P301 HydrophobicContact CB-CB 4.25Å; F219-P301 HydrophobicContact CB-CG 4.36Å; F219-P301 HydrophobicContact CD2-CG 3.78Å; L222-P301 HydrophobicContact CD1-CB 4.32Å; L222-P301 HydrophobicContact CD1-CG 3.9Å; H299-P301 VanDerWaalsContact C-CD 3.47Å; P301-V304 WeakPolarHBondContact O-CG2 3.3Å
302	M	98.4	Very high	97.9	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-80.4	-36.9	175.6	-67.8	-57.6	-64.7	0	0	111.8	E214 Y215 H299 M300 V304 N305 F308 L352 I401	E214-M302 HydrophobicContact CB-CE 4.17Å; E214-M302 HydrophobicContact CB-SD 4.24Å; Y215-M302 VanDerWaalsContact CA-SD 3.59Å; Y215-M302 HydrophobicContact CD2-CG 3.97Å; Y215-M302 HydrophobicContact CD2-SD 4.23Å; Y215-M302 HydrophobicContact CG-SD 4.45Å; Y215-M302 PolarHBondContact N-SD 3.31Å; H299-M302 PolarHBondContact O-N 2.87Å; H299-M302 VanDerWaalsContact O-N 3.12Å; M300-M302 VanDerWaalsContact C-N 3.27Å; M300-M302 PolarHBondContact O-N 2.94Å; M302-V304 VanDerWaalsContact C-N 3.26Å; M302-V304 PolarHBondContact O-N 2.69Å; M302-N305 VanDerWaalsContact O-CB 3.26Å; M302-N305 WeakPolarHBondContact O-CB 3.45Å; M302-N305 PolarHBondContact O-N 2.87Å; M302-F308 HydrophobicContact CB-CD1 3.51Å; M302-F308 HydrophobicContact CB-CD2 4.45Å; M302-F308 HydrophobicContact CB-CE1 3.57Å; M302-F308 HydrophobicContact CB-CG 3.94Å; M302-F308 HydrophobicContact CB-CZ 4.08Å; M302-F308 HydrophobicContact CE-CB 4.15Å; M302-F308 HydrophobicContact CE-CD1 4.48Å; M302-F308 HydrophobicContact CE-CD2 3.49Å; M302-F308 VanDerWaalsContact CE-CD2 3.49Å; M302-F308 HydrophobicContact CE-CE2 3.94Å; M302-F308 HydrophobicContact CE-CG 3.78Å; M302-F308 HydrophobicContact CG-CE1 4.49Å; M302-F308 WeakPolarHBondContact O-CB 3.4Å; M302-L352 HydrophobicContact CE-CB 4.09Å; M302-L352 HydrophobicContact SD-CB 4.49Å; M302-I401 HydrophobicContact CE-CD1 3.93Å
303	L	98.5	Very high	98	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-70.9	-16.3	-179.4	-69.3	172.9	0	0	0	114.2	M243 S247 F249 F272 H299 M300 N305 F308	M243-L303 HydrophobicContact CE-CB 3.42Å; M243-L303 VanDerWaalsContact CE-CB 3.42Å; M243-L303 HydrophobicContact CE-CD1 4.07Å; M243-L303 HydrophobicContact CE-CG 4.39Å; S247-L303 WeakPolarHBondContact CB-O 3.43Å; S247-L303 PolarHBondContact OG-O 3.17Å; F249-L303 HydrophobicContact CD1-CD2 4.25Å; F249-L303 HydrophobicContact CE1-CD2 4.15Å; F272-L303 HydrophobicContact CB-CD1 4.04Å; F272-L303 HydrophobicContact CD1-CD1 4.4Å; F272-L303 HydrophobicContact CD2-CD1 3.45Å; F272-L303 VanDerWaalsContact CD2-CD1 3.45Å; F272-L303 HydrophobicContact CE2-CD1 3.96Å; F272-L303 HydrophobicContact CG-CD1 3.69Å; H299-L303 HydrophobicContact CB-CD1 4.06Å; H299-L303 PolarHBondContact O-N 3.48Å; M300-L303 HydrophobicContact CE-CD1 3.9Å; M300-L303 PolarHBondContact O-N 3.07Å; L303-N305 VanDerWaalsContact C-N 3.28Å; L303-F308 HydrophobicContact CD2-CD1 4.28Å; L303-F308 HydrophobicContact CD2-CE1 4.42Å
304	V	98.1	Very high	97.9	Very high	9 Å²	9	17.7 Å²	17.7	6%	0.055	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-18.2	167.8	-65.1	0	0	0	0	112.6	G218 L222 F242 M243 M300 P301 M302	G218-V304 VanDerWaalsContact CA-CG2 3.4Å; L222-V304 HydrophobicContact CD2-CG1 4.06Å; L222-V304 HydrophobicContact CG-CG1 4.42Å; F242-V304 HydrophobicContact CD1-CG1 4.08Å; F242-V304 HydrophobicContact CE1-CG1 3.92Å; M243-V304 HydrophobicContact CG-CG1 3.75Å; M300-V304 PolarHBondContact O-N 3.31Å; M300-V304 VanDerWaalsContact O-N 3.08Å; P301-V304 WeakPolarHBondContact O-CG2 3.3Å; M302-V304 VanDerWaalsContact C-N 3.26Å; M302-V304 PolarHBondContact O-N 2.69Å
305	N	97.7	Very high	98	Very high	37 Å²	37	16.6 Å²	16.6	20%	0.198	8%	0.075	C	C	.	.	S	Bend	trans	-77.8	126.7	173	179.6	-72.8	0	0	0	110.3	E214 M302 L303 Q307 F308 A309	E214-N305 HydrophobicContact CB-CB 4.48Å; E214-N305 WeakPolarHBondContact CG-ND2 3.48Å; M302-N305 VanDerWaalsContact O-CB 3.26Å; M302-N305 WeakPolarHBondContact O-CB 3.45Å; M302-N305 PolarHBondContact O-N 2.87Å; L303-N305 VanDerWaalsContact C-N 3.28Å; N305-Q307 PolarHBondContact O-N 3.47Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.42Å; N305-Q307 PolarHBondContact OD1-N 2.9Å; N305-F308 HydrophobicContact CB-CB 4.22Å; N305-F308 PolarHBondContact O-N 3.36Å; N305-F308 PolarHBondContact OD1-N 3.15Å; N305-A309 VanDerWaalsContact O-CB 3.29Å; N305-A309 WeakPolarHBondContact O-CB 3.25Å; N305-A309 PolarHBondContact O-N 3.44Å
306	R	96.6	Very high	98	Very high	133 Å²	133	16.1 Å²	16.1	50%	0.502	7%	0.072	S	C	.	.	H	α-helix	trans	-63.5	-40.8	-175.5	-178.2	59.1	-177.2	-124.5	-1.3	113.4	A309 D310	R306-A309 PolarHBondContact O-N 2.78Å; R306-D310 WeakPolarHBondContact CD-OD1 3.44Å; R306-D310 IonicContact CZ-OD1 3.83Å; R306-D310 IonicContact NE-OD1 3.79Å; R306-D310 PolarHBondContact NE-OD1 3.02Å; R306-D310 IonicContact NE-OD2 2.84Å; R306-D310 IonicContact NH2-OD1 3.27Å; R306-D310 WeakPolarHBondContact O-CB 3.1Å; R306-D310 PolarHBondContact O-N 3.18Å
307	Q	96.5	Very high	97.9	Very high	73 Å²	73	17.4 Å²	17.4	34%	0.341	8%	0.079	S	C	.	.	H	α-helix	trans	-67.3	-42.4	-178.1	-63.8	179	-47.4	0	0	110.8	N305 D310 F311 I401 E402 K405	N305-Q307 PolarHBondContact O-N 3.47Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.42Å; N305-Q307 PolarHBondContact OD1-N 2.9Å; Q307-D310 PolarHBondContact O-N 3.24Å; Q307-F311 PolarHBondContact O-N 3.42Å; Q307-F311 VanDerWaalsContact O-N 3.08Å; Q307-I401 HydrophobicContact CB-CG2 3.79Å; Q307-E402 VanDerWaalsContact CG-OE1 3.32Å; Q307-E402 WeakPolarHBondContact CG-OE1 3.37Å; Q307-E402 VanDerWaalsContact NE2-CG 3.35Å; Q307-E402 PolarHBondContact NE2-OE1 3.34Å; Q307-K405 WeakPolarHBondContact O-CD 3.45Å
308	F	98.1	Very high	97.8	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.085	C	C	.	.	H	α-helix	trans	-66.7	-42.7	176.6	-165.9	-96.1	0	0	0	111.9	M302 L303 N305 D310 F311 S312 V338 L352 I401 M404	M302-F308 HydrophobicContact CB-CD1 3.51Å; M302-F308 HydrophobicContact CB-CD2 4.45Å; M302-F308 HydrophobicContact CB-CE1 3.57Å; M302-F308 HydrophobicContact CB-CG 3.94Å; M302-F308 HydrophobicContact CB-CZ 4.08Å; M302-F308 HydrophobicContact CE-CB 4.15Å; M302-F308 HydrophobicContact CE-CD1 4.48Å; M302-F308 HydrophobicContact CE-CD2 3.49Å; M302-F308 VanDerWaalsContact CE-CD2 3.49Å; M302-F308 HydrophobicContact CE-CE2 3.94Å; M302-F308 HydrophobicContact CE-CG 3.78Å; M302-F308 HydrophobicContact CG-CE1 4.49Å; M302-F308 WeakPolarHBondContact O-CB 3.4Å; L303-F308 HydrophobicContact CD2-CD1 4.28Å; L303-F308 HydrophobicContact CD2-CE1 4.42Å; N305-F308 HydrophobicContact CB-CB 4.22Å; N305-F308 PolarHBondContact O-N 3.36Å; N305-F308 PolarHBondContact OD1-N 3.15Å; F308-D310 VanDerWaalsContact C-N 3.32Å; F308-D310 PolarHBondContact O-N 2.98Å; F308-F311 WeakPolarHBondContact O-CB 3.45Å; F308-F311 PolarHBondContact O-N 2.95Å; F308-F311 VanDerWaalsContact O-N 3.14Å; F308-S312 PolarHBondContact O-N 3.43Å; F308-S312 PolarHBondContact O-OG 3.01Å; F308-V338 HydrophobicContact CE1-CG1 4Å; F308-V338 HydrophobicContact CE1-CG2 4.43Å; F308-V338 HydrophobicContact CZ-CB 4.14Å; F308-V338 HydrophobicContact CZ-CG1 3.84Å; F308-V338 HydrophobicContact CZ-CG2 3.92Å; F308-L352 HydrophobicContact CE2-CD1 3.73Å; F308-L352 HydrophobicContact CZ-CD1 4.34Å; F308-I401 HydrophobicContact CB-CD1 4.31Å; F308-I401 HydrophobicContact CB-CG2 4.47Å; F308-I401 HydrophobicContact CD2-CD1 4.36Å; F308-I401 HydrophobicContact CD2-CG1 4.5Å; F308-M404 HydrophobicContact CD2-CE 4.23Å; F308-M404 HydrophobicContact CE2-CE 4.15Å
309	A	98.2	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.2	-42	173	0	0	0	0	0	112.6	F249 N305 R306 F311 S312 Q313	F249-A309 HydrophobicContact CD2-CB 3.62Å; F249-A309 HydrophobicContact CE2-CB 3.65Å; F249-A309 WeakPolarHBondContact CE2-O 3.5Å; N305-A309 VanDerWaalsContact O-CB 3.29Å; N305-A309 WeakPolarHBondContact O-CB 3.25Å; N305-A309 PolarHBondContact O-N 3.44Å; R306-A309 PolarHBondContact O-N 2.78Å; A309-F311 VanDerWaalsContact C-N 3.33Å; A309-F311 PolarHBondContact O-N 3.45Å; A309-S312 PolarHBondContact O-N 3.44Å; A309-Q313 PolarHBondContact O-N 3.5Å
310	D	97.7	Very high	97.4	Very high	29 Å²	29	18.3 Å²	18.3	16%	0.155	9%	0.087	C	C	.	.	H	α-helix	trans	-61.4	-42.3	175.3	-65.7	-15.2	0	0	0	111.3	R270 R306 Q307 F308 Q313 E314 K405	R270-D310 IonicContact CZ-OD1 3.46Å; R270-D310 IonicContact NH1-OD1 3.64Å; R270-D310 PolarHBondContact NH1-OD1 3.05Å; R270-D310 VanDerWaalsContact NH1-OD1 3.1Å; R270-D310 IonicContact NH2-OD1 2.79Å; R270-D310 PolarHBondContact NH2-OD1 3.02Å; R306-D310 WeakPolarHBondContact CD-OD1 3.44Å; R306-D310 IonicContact CZ-OD1 3.83Å; R306-D310 IonicContact NE-OD1 3.79Å; R306-D310 PolarHBondContact NE-OD1 3.02Å; R306-D310 IonicContact NE-OD2 2.84Å; R306-D310 IonicContact NH2-OD1 3.27Å; R306-D310 WeakPolarHBondContact O-CB 3.1Å; R306-D310 PolarHBondContact O-N 3.18Å; Q307-D310 PolarHBondContact O-N 3.24Å; F308-D310 VanDerWaalsContact C-N 3.32Å; F308-D310 PolarHBondContact O-N 2.98Å; D310-Q313 PolarHBondContact O-N 3.35Å; D310-E314 WeakPolarHBondContact O-CG 3.38Å; D310-E314 PolarHBondContact O-N 3.22Å; D310-K405 IonicContact OD2-NZ 3.19Å
311	F	98.1	Very high	96.8	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.013	10%	0.095	C	C	.	.	H	α-helix	trans	-60.4	-48.3	174.7	173.1	-103.2	0	0	0	112.3	Q307 F308 A309 Q313 E314 L315 T337 V338 M404 K405 L408	Q307-F311 PolarHBondContact O-N 3.42Å; Q307-F311 VanDerWaalsContact O-N 3.08Å; F308-F311 WeakPolarHBondContact O-CB 3.45Å; F308-F311 PolarHBondContact O-N 2.95Å; F308-F311 VanDerWaalsContact O-N 3.14Å; A309-F311 VanDerWaalsContact C-N 3.33Å; A309-F311 PolarHBondContact O-N 3.45Å; F311-Q313 VanDerWaalsContact C-N 3.28Å; F311-Q313 PolarHBondContact O-N 3.32Å; F311-E314 PolarHBondContact O-N 3.5Å; F311-E314 VanDerWaalsContact O-N 3.13Å; F311-L315 HydrophobicContact CD1-CD1 4.29Å; F311-L315 HydrophobicContact CE1-CD1 3.59Å; F311-L315 HydrophobicContact CE1-CG 4.36Å; F311-L315 HydrophobicContact CZ-CD1 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.17Å; F311-L315 PolarHBondContact O-N 3.12Å; F311-L315 VanDerWaalsContact O-N 3.1Å; F311-T337 HydrophobicContact CE1-CG2 4.45Å; F311-T337 WeakPolarHBondContact CE1-OG1 3.39Å; F311-T337 HydrophobicContact CZ-CG2 3.98Å; F311-T337 WeakPolarHBondContact CZ-OG1 3.2Å; F311-V338 HydrophobicContact CD1-CG2 4.21Å; F311-V338 HydrophobicContact CE1-CG2 3.8Å; F311-M404 HydrophobicContact CB-CE 4.25Å; F311-M404 HydrophobicContact CD1-CE 3.42Å; F311-M404 VanDerWaalsContact CD1-CE 3.42Å; F311-M404 HydrophobicContact CD1-SD 4.23Å; F311-M404 HydrophobicContact CD2-CE 3.93Å; F311-M404 HydrophobicContact CD2-CG 4.01Å; F311-M404 HydrophobicContact CD2-SD 4.48Å; F311-M404 HydrophobicContact CE1-CE 3.61Å; F311-M404 HydrophobicContact CE1-CG 4.33Å; F311-M404 HydrophobicContact CE1-SD 3.78Å; F311-M404 HydrophobicContact CE2-CB 4.48Å; F311-M404 HydrophobicContact CE2-CE 4.11Å; F311-M404 HydrophobicContact CE2-CG 3.5Å; F311-M404 HydrophobicContact CE2-SD 4.07Å; F311-M404 HydrophobicContact CG-CE 3.58Å; F311-M404 HydrophobicContact CZ-CE 3.96Å; F311-M404 HydrophobicContact CZ-CG 3.68Å; F311-M404 HydrophobicContact CZ-SD 3.7Å; F311-K405 HydrophobicContact CB-CD 4.39Å; F311-K405 HydrophobicContact CB-CG 3.71Å; F311-K405 HydrophobicContact CD2-CG 4.09Å; F311-K405 HydrophobicContact CG-CG 4.37Å; F311-L408 HydrophobicContact CD2-CB 4.41Å; F311-L408 HydrophobicContact CD2-CD2 3.74Å; F311-L408 HydrophobicContact CE2-CB 3.98Å; F311-L408 HydrophobicContact CE2-CD2 3.54Å; F311-L408 HydrophobicContact CE2-CG 4.35Å; F311-L408 HydrophobicContact CZ-CD2 4.38Å
312	S	98.3	Very high	96.4	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-39.5	177	-56.6	0	0	0	0	111.7	L267 F308 A309 L315 G316	L267-S312 WeakPolarHBondContact CB-O 3.32Å; F308-S312 PolarHBondContact O-N 3.43Å; F308-S312 PolarHBondContact O-OG 3.01Å; A309-S312 PolarHBondContact O-N 3.44Å; S312-L315 PolarHBondContact O-N 3.09Å; S312-G316 PolarHBondContact O-N 3.37Å; S312-G316 VanDerWaalsContact O-N 3.17Å
313	Q	98.4	Very high	96	Very high	17 Å²	17	21.2 Å²	21.2	8%	0.079	11%	0.11	C	C	.	.	H	α-helix	trans	-65.6	-40.2	175	-174.1	179.3	30	0	0	112.1	F249 L267 A268 R270 A309 D310 F311 L315 G316 L317	F249-Q313 HydrophobicContact CE2-CB 4.39Å; F249-Q313 HydrophobicContact CZ-CB 4.41Å; L267-Q313 WeakPolarHBondContact O-CA 3.24Å; A268-Q313 PolarHBondContact O-NE2 2.95Å; R270-Q313 HydrophobicContact CG-CB 4.3Å; R270-Q313 HydrophobicContact CG-CG 4.12Å; A309-Q313 PolarHBondContact O-N 3.5Å; D310-Q313 PolarHBondContact O-N 3.35Å; F311-Q313 VanDerWaalsContact C-N 3.28Å; F311-Q313 PolarHBondContact O-N 3.32Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 2.82Å; Q313-G316 CarbonylContact O-C 3.52Å; Q313-G316 PolarHBondContact O-N 3.12Å; Q313-G316 VanDerWaalsContact O-N 3.14Å; Q313-L317 HydrophobicContact CG-CD1 4.06Å; Q313-L317 HydrophobicContact CG-CG 4.26Å; Q313-L317 WeakPolarHBondContact O-CG 3.48Å; Q313-L317 PolarHBondContact O-N 3.3Å
314	E	97.4	Very high	95.5	Very high	29 Å²	29	26.7 Å²	26.7	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-62.7	-38.5	178.5	-76.1	177.1	-159.3	0	0	112.2	D310 F311 L317 A318 L408 R409	D310-E314 WeakPolarHBondContact O-CG 3.38Å; D310-E314 PolarHBondContact O-N 3.22Å; F311-E314 PolarHBondContact O-N 3.5Å; F311-E314 VanDerWaalsContact O-N 3.13Å; E314-L317 PolarHBondContact O-N 3.05Å; E314-A318 WeakPolarHBondContact O-CB 3.38Å; E314-A318 PolarHBondContact O-N 2.95Å; E314-L408 HydrophobicContact CB-CD2 3.69Å; E314-R409 IonicContact OE1-CZ 2.68Å; E314-R409 IonicContact OE1-NE 3.94Å; E314-R409 PolarHBondContact OE1-NE 2.78Å; E314-R409 IonicContact OE1-NH2 3.12Å; E314-R409 PolarHBondContact OE1-NH2 3.26Å; E314-R409 WeakPolarHBondContact OE2-CG 3.36Å; E314-R409 IonicContact OE2-NE 3.81Å; E314-R409 PolarHBondContact OE2-NE 3.13Å; E314-R409 VanDerWaalsContact OE2-NE 3.17Å
315	L	97.7	Very high	95.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-45.7	170.8	-76.7	172.8	0	0	0	111.4	F311 S312 Q313 A318 S319 L330 L333 Y334 V338 L408	F311-L315 HydrophobicContact CD1-CD1 4.29Å; F311-L315 HydrophobicContact CE1-CD1 3.59Å; F311-L315 HydrophobicContact CE1-CG 4.36Å; F311-L315 HydrophobicContact CZ-CD1 3.72Å; F311-L315 HydrophobicContact CZ-CG 4.17Å; F311-L315 PolarHBondContact O-N 3.12Å; F311-L315 VanDerWaalsContact O-N 3.1Å; S312-L315 PolarHBondContact O-N 3.09Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 2.82Å; L315-A318 PolarHBondContact O-N 3.36Å; L315-S319 PolarHBondContact O-N 2.59Å; L315-L330 HydrophobicContact CD2-CD2 4.18Å; L315-L333 HydrophobicContact CD2-CB 4.15Å; L315-Y334 HydrophobicContact CD1-CD2 3.87Å; L315-Y334 HydrophobicContact CD1-CG 4.47Å; L315-V338 HydrophobicContact CD1-CG2 4.36Å; L315-L408 HydrophobicContact CD2-CD1 3.77Å; L315-L408 HydrophobicContact CD2-CD2 3.81Å; L315-L408 HydrophobicContact CD2-CG 4.47Å; L315-L408 HydrophobicContact CG-CD2 3.71Å
316	G	98	Very high	94.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-41.2	178.7	0	0	0	0	0	113.3	L264 A268 S312 Q313 A318 S319	L264-G316 WeakPolarHBondContact O-CA 3.26Å; A268-G316 VanDerWaalsContact CB-C 3.46Å; A268-G316 WeakPolarHBondContact CB-O 3.49Å; S312-G316 PolarHBondContact O-N 3.37Å; S312-G316 VanDerWaalsContact O-N 3.17Å; Q313-G316 CarbonylContact O-C 3.52Å; Q313-G316 PolarHBondContact O-N 3.12Å; Q313-G316 VanDerWaalsContact O-N 3.14Å; G316-A318 VanDerWaalsContact C-N 3.33Å; G316-A318 PolarHBondContact O-N 2.91Å; G316-S319 PolarHBondContact O-N 2.94Å; G316-S319 PolarHBondContact O-OG 2.99Å
317	L	97	Very high	94.8	Very high	28 Å²	28	26.3 Å²	26.3	15%	0.147	14%	0.138	C	C	.	.	H	α-helix	trans	-60.7	-45.7	174.5	-75.4	169	0	0	0	110.5	A268 Q313 E314 S319 L320 P421 V430	A268-L317 HydrophobicContact CB-CD2 4.12Å; A268-L317 HydrophobicContact CB-CG 4.31Å; Q313-L317 HydrophobicContact CG-CD1 4.06Å; Q313-L317 HydrophobicContact CG-CG 4.26Å; Q313-L317 WeakPolarHBondContact O-CG 3.48Å; Q313-L317 PolarHBondContact O-N 3.3Å; E314-L317 PolarHBondContact O-N 3.05Å; L317-S319 PolarHBondContact O-N 3.23Å; L317-S319 VanDerWaalsContact O-N 3.12Å; L317-L320 HydrophobicContact CD2-CD1 4.33Å; L317-L320 PolarHBondContact O-N 3.24Å; L317-L320 VanDerWaalsContact O-N 3.13Å; L317-P421 HydrophobicContact CB-CG 4.27Å; L317-P421 HydrophobicContact CD2-CB 4.19Å; L317-P421 WeakPolarHBondContact O-CG 3.32Å; L317-V430 HydrophobicContact CD2-CG2 4.25Å
318	A	95	Very high	94.7	Very high	16 Å²	16	27 Å²	27	13%	0.132	15%	0.147	C	C	.	.	H	α-helix	trans	-60.1	-24.4	178.6	0	0	0	0	0	113.9	E314 L315 G316 L330 I412	E314-A318 WeakPolarHBondContact O-CB 3.38Å; E314-A318 PolarHBondContact O-N 2.95Å; L315-A318 PolarHBondContact O-N 3.36Å; G316-A318 VanDerWaalsContact C-N 3.33Å; G316-A318 PolarHBondContact O-N 2.91Å; A318-L330 HydrophobicContact CB-CD1 3.97Å; A318-L330 HydrophobicContact CB-CD2 3.8Å; A318-L330 WeakPolarHBondContact O-CD1 3.31Å; A318-I412 HydrophobicContact CB-CD1 3.72Å; A318-I412 HydrophobicContact CB-CG1 3.85Å
319	S	95.3	Very high	94.6	Very high	3 Å²	3	31 Å²	31	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-79.8	-15.7	-179.8	85.4	0	0	0	0	113.8	L264 A265 L315 G316 L317 G321 A322	L264-S319 WeakPolarHBondContact CB-OG 3.42Å; A265-S319 PolarHBondContact N-OG 2.68Å; L315-S319 PolarHBondContact O-N 2.59Å; G316-S319 PolarHBondContact O-N 2.94Å; G316-S319 PolarHBondContact O-OG 2.99Å; L317-S319 PolarHBondContact O-N 3.23Å; L317-S319 VanDerWaalsContact O-N 3.12Å; S319-G321 PolarHBondContact O-N 2.99Å; S319-A322 VanDerWaalsContact O-CB 3.3Å; S319-A322 WeakPolarHBondContact O-CB 3.44Å; S319-A322 PolarHBondContact O-N 3.27Å
320	L	93.4	Very high	94.5	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	122.6	-178.2	-58.3	-179.6	0	0	0	110.9	Y130 P131 A265 A268 L317 A322 P421 V430	Y130-L320 HydrophobicContact CD2-CB 4.25Å; Y130-L320 HydrophobicContact CG-CB 4.45Å; P131-L320 HydrophobicContact CG-CD2 4.18Å; A265-L320 HydrophobicContact CB-CD2 3.87Å; A268-L320 HydrophobicContact CB-CD1 3.7Å; A268-L320 HydrophobicContact CB-CD2 4.22Å; A268-L320 HydrophobicContact CB-CG 4.05Å; L317-L320 HydrophobicContact CD2-CD1 4.33Å; L317-L320 PolarHBondContact O-N 3.24Å; L317-L320 VanDerWaalsContact O-N 3.13Å; L320-A322 PolarHBondContact O-N 3.05Å; L320-P421 HydrophobicContact CB-CB 4.3Å; L320-P421 HydrophobicContact CB-CG 4.3Å; L320-P421 HydrophobicContact CD1-CB 4.12Å; L320-V430 HydrophobicContact CD1-CB 4.08Å; L320-V430 HydrophobicContact CD1-CG1 3.61Å; L320-V430 HydrophobicContact CD1-CG2 3.86Å
321	G	86.3	Confident	94.5	Very high	17 Å²	17	30.9 Å²	30.9	18%	0.175	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	20	-173.9	0	0	0	0	0	113.8	S319	S319-G321 PolarHBondContact O-N 2.99Å
322	A	90	Very high	94.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.			trans	-81	146.4	176.4	0	0	0	0	0	111.8	R261 S319 L320 E326 I327	R261-A322 PolarHBondContact NH1-O 3.14Å; R261-A322 PolarHBondContact NH2-O 2.93Å; S319-A322 VanDerWaalsContact O-CB 3.3Å; S319-A322 WeakPolarHBondContact O-CB 3.44Å; S319-A322 PolarHBondContact O-N 3.27Å; L320-A322 PolarHBondContact O-N 3.05Å; A322-E326 WeakPolarHBondContact CA-OE2 3.46Å; A322-E326 HydrophobicContact CB-CB 3.84Å; A322-E326 WeakPolarHBondContact CB-OE2 3.5Å; A322-I327 HydrophobicContact CB-CD1 3.85Å; A322-I327 HydrophobicContact CB-CG1 4.15Å
323	S	88.9	Confident	94.4	Very high	46 Å²	46	31.3 Å²	31.3	32%	0.322	17%	0.166	S	C	.	.			trans	-68.7	163.8	172.2	75.6	0	0	0	0	111.3	E325 E326 I327	S323-E325 PolarHBondContact O-N 3.34Å; S323-E326 PolarHBondContact N-OE2 3.46Å; S323-E326 WeakPolarHBondContact O-CB 3.14Å; S323-E326 PolarHBondContact O-N 3.32Å; S323-E326 VanDerWaalsContact O-N 3.09Å; S323-E326 WeakPolarHBondContact OG-CG 3.49Å; S323-E326 PolarHBondContact OG-N 3.33Å; S323-I327 WeakPolarHBondContact O-CG1 3.24Å; S323-I327 PolarHBondContact O-N 2.89Å
324	E	88.3	Confident	94.4	Very high	115 Å²	115	31.1 Å²	31.1	54%	0.537	16%	0.164	S	C	.	.	H	α-helix	trans	-58.2	-35	177	-68.6	-60.6	131.6	0	0	113.3	R261 I327 T328	R261-E324 IonicContact CZ-OE1 2.82Å; R261-E324 IonicContact NE-OE1 3.46Å; R261-E324 PolarHBondContact NE-OE1 3.28Å; R261-E324 IonicContact NH2-OE1 2.56Å; R261-E324 PolarHBondContact NH2-OE1 2.82Å; E324-I327 PolarHBondContact O-N 3.39Å; E324-T328 WeakPolarHBondContact O-CB 3.1Å; E324-T328 PolarHBondContact O-N 2.91Å; E324-T328 PolarHBondContact O-OG1 3.34Å
325	E	91.3	Very high	94.4	Very high	115 Å²	115	32.1 Å²	32.1	54%	0.537	17%	0.167	S	C	.	.	H	α-helix	trans	-65.4	-42.9	174.7	-174.9	-175.2	165.8	0	0	111.3	S323 T328 R329	S323-E325 PolarHBondContact O-N 3.34Å; E325-T328 WeakPolarHBondContact O-CB 3.13Å; E325-T328 PolarHBondContact O-N 3.28Å; E325-R329 PolarHBondContact O-N 3.24Å; E325-R329 IonicContact OE1-CZ 3.36Å; E325-R329 IonicContact OE1-NH1 3.1Å; E325-R329 IonicContact OE1-NH2 3.29Å; E325-R329 PolarHBondContact OE1-NH2 2.83Å
326	E	92.9	Very high	94.4	Very high	52 Å²	52	32.2 Å²	32.2	24%	0.243	17%	0.167	C	C	.	.	H	α-helix	trans	-67.5	-41.4	176.6	-69.2	178.2	139.1	0	0	111.8	A322 S323 T328 R329 L330 K417	A322-E326 WeakPolarHBondContact CA-OE2 3.46Å; A322-E326 HydrophobicContact CB-CB 3.84Å; A322-E326 WeakPolarHBondContact CB-OE2 3.5Å; S323-E326 PolarHBondContact N-OE2 3.46Å; S323-E326 WeakPolarHBondContact O-CB 3.14Å; S323-E326 PolarHBondContact O-N 3.32Å; S323-E326 VanDerWaalsContact O-N 3.09Å; S323-E326 WeakPolarHBondContact OG-CG 3.49Å; S323-E326 PolarHBondContact OG-N 3.33Å; E326-T328 VanDerWaalsContact C-N 3.27Å; E326-T328 PolarHBondContact O-N 2.87Å; E326-R329 PolarHBondContact O-N 3.04Å; E326-L330 WeakPolarHBondContact O-CB 3.44Å; E326-L330 VanDerWaalsContact O-CG 3.29Å; E326-L330 WeakPolarHBondContact O-CG 3.48Å; E326-L330 PolarHBondContact O-N 3.32Å; E326-K417 WeakPolarHBondContact OE1-CE 3.48Å; E326-K417 IonicContact OE1-NZ 3.96Å; E326-K417 PolarHBondContact OE1-NZ 3.04Å; E326-K417 WeakPolarHBondContact OE2-CE 3.32Å; E326-K417 IonicContact OE2-NZ 3.56Å; E326-K417 PolarHBondContact OE2-NZ 3.44Å
327	I	93.2	Very high	94.4	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.026	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-43	172.7	-69	-60.1	0	0	0	110.4	P260 R261 A322 S323 E324 L330 S331	P260-I327 HydrophobicContact CB-CG2 4Å; R261-I327 HydrophobicContact CB-CD1 4.5Å; R261-I327 HydrophobicContact CB-CG2 4.3Å; R261-I327 HydrophobicContact CG-CD1 4.45Å; A322-I327 HydrophobicContact CB-CD1 3.85Å; A322-I327 HydrophobicContact CB-CG1 4.15Å; S323-I327 WeakPolarHBondContact O-CG1 3.24Å; S323-I327 PolarHBondContact O-N 2.89Å; E324-I327 PolarHBondContact O-N 3.39Å; I327-L330 PolarHBondContact O-N 2.94Å; I327-S331 VanDerWaalsContact O-CB 3.24Å; I327-S331 WeakPolarHBondContact O-CB 3.43Å; I327-S331 PolarHBondContact O-N 2.77Å
328	T	94.8	Very high	94.5	Very high	87 Å²	87	31 Å²	31	53%	0.534	16%	0.161	S	C	.	.	H	α-helix	trans	-59.6	-50	177	-58.6	0	0	0	0	110.5	E324 E325 E326 L330 S331 T332	E324-T328 WeakPolarHBondContact O-CB 3.1Å; E324-T328 PolarHBondContact O-N 2.91Å; E324-T328 PolarHBondContact O-OG1 3.34Å; E325-T328 WeakPolarHBondContact O-CB 3.13Å; E325-T328 PolarHBondContact O-N 3.28Å; E326-T328 VanDerWaalsContact C-N 3.27Å; E326-T328 PolarHBondContact O-N 2.87Å; T328-L330 PolarHBondContact O-N 3.49Å; T328-S331 WeakPolarHBondContact O-CB 3.4Å; T328-S331 PolarHBondContact O-N 3.41Å; T328-T332 PolarHBondContact O-N 2.98Å; T328-T332 PolarHBondContact O-OG1 3.49Å
329	R	96.3	Very high	94.6	Very high	85 Å²	85	31.2 Å²	31.2	32%	0.321	16%	0.159	S	C	.	.	H	α-helix	trans	-61.1	-44.1	178	-70.5	-175.6	179.6	145.4	5.1	112.9	E325 E326 T332 L333 A382 Y411	E325-R329 PolarHBondContact O-N 3.24Å; E325-R329 IonicContact OE1-CZ 3.36Å; E325-R329 IonicContact OE1-NH1 3.1Å; E325-R329 IonicContact OE1-NH2 3.29Å; E325-R329 PolarHBondContact OE1-NH2 2.83Å; E326-R329 PolarHBondContact O-N 3.04Å; R329-T332 PolarHBondContact O-N 3.41Å; R329-L333 WeakPolarHBondContact O-CG 3.29Å; R329-L333 PolarHBondContact O-N 3.09Å; R329-A382 HydrophobicContact CB-CB 4.3Å; R329-Y411 VanDerWaalsContact CD-OH 3.3Å; R329-Y411 WeakPolarHBondContact CD-OH 3.38Å
330	L	97	Very high	94.7	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-65.5	-38.5	177.8	-70.1	169.7	0	0	0	111.9	L264 L315 A318 E326 I327 T328 T332 L333 Y334	L264-L330 HydrophobicContact CD1-CB 3.97Å; L315-L330 HydrophobicContact CD2-CD2 4.18Å; A318-L330 HydrophobicContact CB-CD1 3.97Å; A318-L330 HydrophobicContact CB-CD2 3.8Å; A318-L330 WeakPolarHBondContact O-CD1 3.31Å; E326-L330 WeakPolarHBondContact O-CB 3.44Å; E326-L330 VanDerWaalsContact O-CG 3.29Å; E326-L330 WeakPolarHBondContact O-CG 3.48Å; E326-L330 PolarHBondContact O-N 3.32Å; I327-L330 PolarHBondContact O-N 2.94Å; T328-L330 PolarHBondContact O-N 3.49Å; L330-T332 VanDerWaalsContact C-N 3.35Å; L330-L333 PolarHBondContact O-N 2.81Å; L330-Y334 WeakPolarHBondContact O-CB 3.31Å; L330-Y334 PolarHBondContact O-N 2.77Å
331	S	96.7	Very high	95	Very high	20 Å²	20	31.9 Å²	31.9	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-40.7	173.6	-171.9	0	0	0	0	111.4	I327 T328 Y334 W335	I327-S331 VanDerWaalsContact O-CB 3.24Å; I327-S331 WeakPolarHBondContact O-CB 3.43Å; I327-S331 PolarHBondContact O-N 2.77Å; T328-S331 WeakPolarHBondContact O-CB 3.4Å; T328-S331 PolarHBondContact O-N 3.41Å; S331-Y334 WeakPolarHBondContact O-CB 3.49Å; S331-Y334 PolarHBondContact O-N 2.74Å; S331-W335 WeakPolarHBondContact O-CB 3.49Å; S331-W335 PolarHBondContact O-N 2.79Å
332	T	97.5	Very high	95.5	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-65	-40.5	175	-54.9	0	0	0	0	111.4	T328 R329 L330 W335 F336 A381 Q384 Y386	T328-T332 PolarHBondContact O-N 2.98Å; T328-T332 PolarHBondContact O-OG1 3.49Å; R329-T332 PolarHBondContact O-N 3.41Å; L330-T332 VanDerWaalsContact C-N 3.35Å; T332-W335 WeakPolarHBondContact O-CB 3.49Å; T332-W335 PolarHBondContact O-N 3.46Å; T332-F336 HydrophobicContact CG2-CD2 3.79Å; T332-F336 HydrophobicContact CG2-CE2 3.83Å; T332-F336 WeakPolarHBondContact O-CD2 3.4Å; T332-F336 PolarHBondContact O-N 2.83Å; T332-A381 WeakPolarHBondContact CG2-O 3.37Å; T332-Q384 WeakPolarHBondContact CG2-O 3.49Å; T332-Y386 HydrophobicContact CG2-CD1 4.25Å; T332-Y386 HydrophobicContact CG2-CE1 4.45Å
333	L	98.1	Very high	95.9	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-45.8	172.8	-72.5	178.1	0	0	0	111.8	L315 R329 L330 W335 F336 T337 I378 A381 A382 L408 Y411	L315-L333 HydrophobicContact CD2-CB 4.15Å; R329-L333 WeakPolarHBondContact O-CG 3.29Å; R329-L333 PolarHBondContact O-N 3.09Å; L330-L333 PolarHBondContact O-N 2.81Å; L333-W335 VanDerWaalsContact C-N 3.27Å; L333-W335 PolarHBondContact O-N 3.42Å; L333-F336 PolarHBondContact O-N 2.85Å; L333-T337 WeakPolarHBondContact O-CB 3.09Å; L333-T337 WeakPolarHBondContact O-CG2 3.37Å; L333-T337 PolarHBondContact O-N 2.8Å; L333-T337 VanDerWaalsContact O-N 3.07Å; L333-T337 PolarHBondContact O-OG1 3.34Å; L333-I378 HydrophobicContact CD1-CD1 3.99Å; L333-I378 HydrophobicContact CD1-CG1 3.83Å; L333-I378 HydrophobicContact CD2-CD1 4.44Å; L333-I378 HydrophobicContact CD2-CG1 3.63Å; L333-I378 HydrophobicContact CG-CG1 4.39Å; L333-A381 HydrophobicContact CD2-CB 3.89Å; L333-A382 HydrophobicContact CD1-CB 4.21Å; L333-A382 HydrophobicContact CD2-CB 3.83Å; L333-A382 HydrophobicContact CG-CB 3.87Å; L333-L408 HydrophobicContact CD1-CD1 4.43Å; L333-Y411 HydrophobicContact CD1-CD1 4.32Å; L333-Y411 HydrophobicContact CD1-CE1 4.2Å
334	Y	98.1	Very high	96.3	Very high	13 Å²	13	31.9 Å²	31.9	5%	0.051	16%	0.155	C	C	.	.	H	α-helix	trans	-57.1	-42.9	174.5	-175.1	-86.5	0	0	0	111.1	F263 L264 L267 H299 L315 L330 S331 T337 V338 E339	F263-Y334 HydrophobicContact CE1-CD1 4.37Å; F263-Y334 HydrophobicContact CE1-CD2 4.47Å; F263-Y334 AromaticContact CE1-CE1 3.71Å; F263-Y334 HydrophobicContact CE1-CE1 3.71Å; F263-Y334 AromaticContact CE1-CE2 3.84Å; F263-Y334 HydrophobicContact CE1-CE2 3.84Å; F263-Y334 AromaticContact CE1-CZ 3.43Å; F263-Y334 VanDerWaalsContact CE1-CZ 3.43Å; F263-Y334 HydrophobicContact CZ-CE1 4.25Å; F263-Y334 HydrophobicContact CZ-CE2 4.43Å; F263-Y334 AromaticContact CZ-CZ 3.8Å; F263-Y334 WeakPolarHBondContact CZ-OH 3.37Å; L264-Y334 HydrophobicContact CD2-CD2 4.24Å; L264-Y334 HydrophobicContact CD2-CG 4.39Å; L267-Y334 HydrophobicContact CD1-CD2 3.9Å; L267-Y334 HydrophobicContact CD1-CE2 3.55Å; H299-Y334 PolarHBondContact CE1-OH 2.66Å; L315-Y334 HydrophobicContact CD1-CD2 3.87Å; L315-Y334 HydrophobicContact CD1-CG 4.47Å; L330-Y334 WeakPolarHBondContact O-CB 3.31Å; L330-Y334 PolarHBondContact O-N 2.77Å; S331-Y334 WeakPolarHBondContact O-CB 3.49Å; S331-Y334 PolarHBondContact O-N 2.74Å; Y334-T337 PolarHBondContact O-N 3.36Å; Y334-V338 HydrophobicContact CD1-CB 4.26Å; Y334-V338 HydrophobicContact CD2-CB 3.92Å; Y334-V338 HydrophobicContact CD2-CG1 4.42Å; Y334-V338 HydrophobicContact CD2-CG2 3.69Å; Y334-V338 HydrophobicContact CE1-CB 4.03Å; Y334-V338 HydrophobicContact CE1-CG1 4.09Å; Y334-V338 HydrophobicContact CE2-CB 3.66Å; Y334-V338 HydrophobicContact CE2-CG1 3.65Å; Y334-V338 HydrophobicContact CE2-CG2 3.65Å; Y334-V338 HydrophobicContact CG-CB 4.2Å; Y334-V338 HydrophobicContact CG-CG2 4.3Å; Y334-V338 VanDerWaalsContact CZ-CG1 3.43Å; Y334-V338 WeakPolarHBondContact O-CA 3.5Å; Y334-V338 WeakPolarHBondContact O-CB 3.44Å; Y334-V338 PolarHBondContact O-N 2.98Å; Y334-V338 WeakPolarHBondContact OH-CG1 3.37Å; Y334-E339 HydrophobicContact CD1-CG 4.04Å; Y334-E339 HydrophobicContact CE1-CG 3.81Å; Y334-E339 VanDerWaalsContact CE1-OE1 3.26Å; Y334-E339 WeakPolarHBondContact CE1-OE1 3.33Å; Y334-E339 PolarHBondContact O-N 3.4Å
335	W	97.7	Very high	96.6	Very high	49 Å²	49	28.1 Å²	28.1	19%	0.186	14%	0.138	C	C	.	.	I	π-helix	trans	-59.2	-53.4	176.6	-171.6	-90.5	0	0	0	112.6	S331 T332 L333 T337 E339 F340 Y386 D388 Q392	S331-W335 WeakPolarHBondContact O-CB 3.49Å; S331-W335 PolarHBondContact O-N 2.79Å; T332-W335 WeakPolarHBondContact O-CB 3.49Å; T332-W335 PolarHBondContact O-N 3.46Å; L333-W335 VanDerWaalsContact C-N 3.27Å; L333-W335 PolarHBondContact O-N 3.42Å; W335-T337 PolarHBondContact O-N 3.12Å; W335-E339 HydrophobicContact CE3-CB 4.47Å; W335-E339 HydrophobicContact CE3-CG 4.25Å; W335-E339 WeakPolarHBondContact O-CB 3.36Å; W335-E339 PolarHBondContact O-N 2.93Å; W335-F340 AromaticContact CD1-CD2 3.8Å; W335-F340 AromaticContact CD2-CD2 3.89Å; W335-F340 HydrophobicContact CD2-CD2 3.89Å; W335-F340 AromaticContact CD2-CE2 3.78Å; W335-F340 HydrophobicContact CD2-CE2 3.78Å; W335-F340 AromaticContact CE2-CD2 3.48Å; W335-F340 VanDerWaalsContact CE2-CD2 3.48Å; W335-F340 AromaticContact CE2-CE2 3.24Å; W335-F340 HydrophobicContact CE3-CE2 4.16Å; W335-F340 HydrophobicContact CG-CD2 4.11Å; W335-F340 HydrophobicContact CG-CE2 4.48Å; W335-F340 AromaticContact CH2-CE2 3.67Å; W335-F340 HydrophobicContact CH2-CE2 3.67Å; W335-F340 HydrophobicContact CH2-CZ 4.25Å; W335-F340 AromaticContact CZ2-CD2 3.95Å; W335-F340 HydrophobicContact CZ2-CD2 3.95Å; W335-F340 AromaticContact CZ2-CE2 3.21Å; W335-F340 HydrophobicContact CZ2-CE2 3.21Å; W335-F340 AromaticContact CZ2-CZ 3.87Å; W335-F340 HydrophobicContact CZ2-CZ 3.87Å; W335-F340 HydrophobicContact CZ3-CE2 4.11Å; W335-F340 AromaticContact NE1-CD2 3.37Å; W335-F340 AromaticContact NE1-CE2 3.63Å; W335-F340 PolarHBondContact O-N 2.8Å; W335-Y386 HydrophobicContact CB-CD1 4.39Å; W335-Y386 HydrophobicContact CB-CE1 4.47Å; W335-Y386 AromaticContact CD1-CD1 3.97Å; W335-Y386 AromaticContact CD1-CG 3.66Å; W335-Y386 HydrophobicContact CD2-CD1 4.42Å; W335-Y386 AromaticContact CD2-CD2 3.81Å; W335-Y386 HydrophobicContact CD2-CD2 3.81Å; W335-Y386 HydrophobicContact CD2-CE2 4.04Å; W335-Y386 HydrophobicContact CD2-CG 4.01Å; W335-Y386 AromaticContact CE2-CD2 3.47Å; W335-Y386 VanDerWaalsContact CE2-CD2 3.47Å; W335-Y386 AromaticContact CE2-CG 3.74Å; W335-Y386 HydrophobicContact CE3-CD2 4.32Å; W335-Y386 HydrophobicContact CE3-CE2 4.14Å; W335-Y386 HydrophobicContact CG-CD1 4.02Å; W335-Y386 HydrophobicContact CG-CD2 4.23Å; W335-Y386 HydrophobicContact CG-CE1 4.38Å; W335-Y386 AromaticContact CG-CG 3.94Å; W335-Y386 HydrophobicContact CG-CG 3.94Å; W335-Y386 HydrophobicContact CH2-CD2 4.22Å; W335-Y386 HydrophobicContact CH2-CE2 4.34Å; W335-Y386 AromaticContact CZ2-CD2 3.69Å; W335-Y386 HydrophobicContact CZ2-CD2 3.69Å; W335-Y386 HydrophobicContact CZ2-CE2 4.25Å; W335-Y386 HydrophobicContact CZ2-CG 4.36Å; W335-Y386 HydrophobicContact CZ3-CE2 4.3Å; W335-Y386 AromaticContact NE1-CD2 3.78Å; W335-Y386 AromaticContact NE1-CG 3.55Å; W335-D388 HydrophobicContact CH2-CB 4.22Å; W335-Q392 VanDerWaalsContact NE1-OE1 3.15Å
336	F	97.8	Very high	96.7	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.013	15%	0.151	C	C	.	.	I	π-helix	trans	-79.1	-1.2	-176.4	-76.3	-65.9	0	0	0	115.1	T332 L333 G341 A381 Q384 Y386 F396	T332-F336 HydrophobicContact CG2-CD2 3.79Å; T332-F336 HydrophobicContact CG2-CE2 3.83Å; T332-F336 WeakPolarHBondContact O-CD2 3.4Å; T332-F336 PolarHBondContact O-N 2.83Å; L333-F336 PolarHBondContact O-N 2.85Å; F336-G341 WeakPolarHBondContact O-CA 3.5Å; F336-A381 HydrophobicContact CB-CB 4.48Å; F336-Q384 HydrophobicContact CD2-CB 4.14Å; F336-Q384 HydrophobicContact CD2-CG 4.35Å; F336-Q384 HydrophobicContact CE1-CG 4.08Å; F336-Q384 HydrophobicContact CE2-CB 3.57Å; F336-Q384 HydrophobicContact CE2-CG 3.51Å; F336-Q384 WeakPolarHBondContact CE2-O 3.42Å; F336-Q384 HydrophobicContact CZ-CB 3.98Å; F336-Q384 HydrophobicContact CZ-CG 3.34Å; F336-Y386 HydrophobicContact CE2-CD1 4.25Å; F336-F396 HydrophobicContact CB-CD2 3.7Å; F336-F396 HydrophobicContact CB-CE2 4.22Å; F336-F396 AromaticContact CD1-CD2 3.57Å; F336-F396 HydrophobicContact CD1-CD2 3.57Å; F336-F396 AromaticContact CD1-CE2 3.8Å; F336-F396 HydrophobicContact CD1-CE2 3.8Å; F336-F396 HydrophobicContact CD2-CD2 4.49Å; F336-F396 HydrophobicContact CD2-CE2 4.22Å; F336-F396 HydrophobicContact CE1-CD2 4.35Å; F336-F396 HydrophobicContact CE1-CE2 4.23Å; F336-F396 AromaticContact CG-CD2 3.66Å; F336-F396 HydrophobicContact CG-CD2 3.66Å; F336-F396 AromaticContact CG-CE2 3.8Å; F336-F396 HydrophobicContact CG-CE2 3.8Å
337	T	97.9	Very high	96.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	17%	0.171	C	C	.	.	I	π-helix	trans	-117.4	-66.1	176.4	56.6	0	0	0	0	111.4	F311 L333 Y334 W335 G341 L352 F376 M404	F311-T337 HydrophobicContact CE1-CG2 4.45Å; F311-T337 WeakPolarHBondContact CE1-OG1 3.39Å; F311-T337 HydrophobicContact CZ-CG2 3.98Å; F311-T337 WeakPolarHBondContact CZ-OG1 3.2Å; L333-T337 WeakPolarHBondContact O-CB 3.09Å; L333-T337 WeakPolarHBondContact O-CG2 3.37Å; L333-T337 PolarHBondContact O-N 2.8Å; L333-T337 VanDerWaalsContact O-N 3.07Å; L333-T337 PolarHBondContact O-OG1 3.34Å; Y334-T337 PolarHBondContact O-N 3.36Å; W335-T337 PolarHBondContact O-N 3.12Å; T337-G341 WeakPolarHBondContact O-CA 3.46Å; T337-G341 PolarHBondContact O-N 3.5Å; T337-L352 WeakPolarHBondContact O-CD1 3.4Å; T337-F376 HydrophobicContact CG2-CD2 4.2Å; T337-F376 HydrophobicContact CG2-CE2 3.4Å; T337-F376 HydrophobicContact CG2-CZ 3.71Å; T337-M404 VanDerWaalsContact CB-SD 3.57Å; T337-M404 HydrophobicContact CG2-CG 4.11Å; T337-M404 HydrophobicContact CG2-SD 3.61Å
338	V	98.3	Very high	96.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.194	C	C	.	.	I	π-helix	trans	-75.6	-36.2	-174.4	-175.8	0	0	0	0	112.3	F308 F311 L315 Y334 G353 A354	F308-V338 HydrophobicContact CE1-CG1 4Å; F308-V338 HydrophobicContact CE1-CG2 4.43Å; F308-V338 HydrophobicContact CZ-CB 4.14Å; F308-V338 HydrophobicContact CZ-CG1 3.84Å; F308-V338 HydrophobicContact CZ-CG2 3.92Å; F311-V338 HydrophobicContact CD1-CG2 4.21Å; F311-V338 HydrophobicContact CE1-CG2 3.8Å; L315-V338 HydrophobicContact CD1-CG2 4.36Å; Y334-V338 HydrophobicContact CD1-CB 4.26Å; Y334-V338 HydrophobicContact CD2-CB 3.92Å; Y334-V338 HydrophobicContact CD2-CG1 4.42Å; Y334-V338 HydrophobicContact CD2-CG2 3.69Å; Y334-V338 HydrophobicContact CE1-CB 4.03Å; Y334-V338 HydrophobicContact CE1-CG1 4.09Å; Y334-V338 HydrophobicContact CE2-CB 3.66Å; Y334-V338 HydrophobicContact CE2-CG1 3.65Å; Y334-V338 HydrophobicContact CE2-CG2 3.65Å; Y334-V338 HydrophobicContact CG-CB 4.2Å; Y334-V338 HydrophobicContact CG-CG2 4.3Å; Y334-V338 VanDerWaalsContact CZ-CG1 3.43Å; Y334-V338 WeakPolarHBondContact O-CA 3.5Å; Y334-V338 WeakPolarHBondContact O-CB 3.44Å; Y334-V338 PolarHBondContact O-N 2.98Å; Y334-V338 WeakPolarHBondContact OH-CG1 3.37Å; V338-G353 CarbonylContact O-C 3.59Å; V338-G353 VanDerWaalsContact O-CA 3.26Å; V338-G353 WeakPolarHBondContact O-CA 3.2Å; V338-A354 PolarHBondContact O-N 2.86Å
339	E	97.7	Very high	97	Very high	20 Å²	20	34.1 Å²	34.1	9%	0.093	19%	0.186	C	C	.	.	I	π-helix	trans	-87.4	-46.6	-179.3	-63.8	-63.4	156.4	0	0	112.8	H294 H299 Y334 W335 G353 A354 G355 I356	H294-E339 IonicContact CE1-OE2 3.51Å; H294-E339 PolarHBondContact CE1-OE2 3.22Å; H294-E339 IonicContact NE2-OE2 2.64Å; H294-E339 PolarHBondContact NE2-OE2 2.89Å; H299-E339 IonicContact CE1-OE1 2.9Å; H299-E339 PolarHBondContact CE1-OE1 2.91Å; H299-E339 IonicContact CE1-OE2 3.83Å; H299-E339 IonicContact NE2-OE1 2.68Å; H299-E339 PolarHBondContact NE2-OE1 3.24Å; H299-E339 IonicContact NE2-OE2 3.17Å; Y334-E339 HydrophobicContact CD1-CG 4.04Å; Y334-E339 HydrophobicContact CE1-CG 3.81Å; Y334-E339 VanDerWaalsContact CE1-OE1 3.26Å; Y334-E339 WeakPolarHBondContact CE1-OE1 3.33Å; Y334-E339 PolarHBondContact O-N 3.4Å; W335-E339 HydrophobicContact CE3-CB 4.47Å; W335-E339 HydrophobicContact CE3-CG 4.25Å; W335-E339 WeakPolarHBondContact O-CB 3.36Å; W335-E339 PolarHBondContact O-N 2.93Å; E339-G353 CarbonylContact O-C 3.47Å; E339-G353 WeakPolarHBondContact O-CA 3.11Å; E339-A354 PolarHBondContact O-N 3.17Å; E339-A354 VanDerWaalsContact O-N 3.17Å; E339-G355 WeakPolarHBondContact O-CA 3.3Å; E339-G355 PolarHBondContact O-N 2.79Å; E339-I356 PolarHBondContact O-N 3Å
340	F	97.8	Very high	97.1	Very high	17 Å²	17	32.1 Å²	32.1	8%	0.075	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.7	25.2	-172.4	-59.2	-86.4	0	0	0	113.3	W335 I356 E362 Q392 Y395	W335-F340 AromaticContact CD1-CD2 3.8Å; W335-F340 AromaticContact CD2-CD2 3.89Å; W335-F340 HydrophobicContact CD2-CD2 3.89Å; W335-F340 AromaticContact CD2-CE2 3.78Å; W335-F340 HydrophobicContact CD2-CE2 3.78Å; W335-F340 AromaticContact CE2-CD2 3.48Å; W335-F340 VanDerWaalsContact CE2-CD2 3.48Å; W335-F340 AromaticContact CE2-CE2 3.24Å; W335-F340 HydrophobicContact CE3-CE2 4.16Å; W335-F340 HydrophobicContact CG-CD2 4.11Å; W335-F340 HydrophobicContact CG-CE2 4.48Å; W335-F340 AromaticContact CH2-CE2 3.67Å; W335-F340 HydrophobicContact CH2-CE2 3.67Å; W335-F340 HydrophobicContact CH2-CZ 4.25Å; W335-F340 AromaticContact CZ2-CD2 3.95Å; W335-F340 HydrophobicContact CZ2-CD2 3.95Å; W335-F340 AromaticContact CZ2-CE2 3.21Å; W335-F340 HydrophobicContact CZ2-CE2 3.21Å; W335-F340 AromaticContact CZ2-CZ 3.87Å; W335-F340 HydrophobicContact CZ2-CZ 3.87Å; W335-F340 HydrophobicContact CZ3-CE2 4.11Å; W335-F340 AromaticContact NE1-CD2 3.37Å; W335-F340 AromaticContact NE1-CE2 3.63Å; W335-F340 PolarHBondContact O-N 2.8Å; F340-I356 HydrophobicContact CD1-CG1 3.98Å; F340-E362 HydrophobicContact CD1-CG 3.92Å; F340-E362 HydrophobicContact CE1-CG 3.67Å; F340-Q392 HydrophobicContact CB-CG 4.18Å; F340-Q392 HydrophobicContact CD1-CG 3.51Å; F340-Q392 HydrophobicContact CD2-CG 4.16Å; F340-Q392 HydrophobicContact CE1-CG 3.85Å; F340-Q392 HydrophobicContact CE2-CG 4.49Å; F340-Q392 HydrophobicContact CG-CG 3.68Å; F340-Q392 HydrophobicContact CZ-CG 4.34Å; F340-Y395 HydrophobicContact CB-CD1 4.09Å; F340-Y395 HydrophobicContact CB-CE1 4.21Å; F340-Y395 HydrophobicContact CD1-CE1 4.13Å; F340-Y395 WeakPolarHBondContact O-CD1 3.32Å
341	G	97.9	Very high	97.1	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	18%	0.177	C	C	.	.			trans	-71.8	147.1	175.3	0	0	0	0	0	113.3	F336 T337 L352 G353	F336-G341 WeakPolarHBondContact O-CA 3.5Å; T337-G341 WeakPolarHBondContact O-CA 3.46Å; T337-G341 PolarHBondContact O-N 3.5Å; G341-L352 WeakPolarHBondContact O-CG 3.4Å; G341-L352 PolarHBondContact O-N 3.47Å; G341-L352 VanDerWaalsContact O-N 3.15Å; G341-G353 PolarHBondContact O-N 3.22Å
342	L	98.4	Very high	97.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160	166.6	-59.3	176.6	0	0	0	109	T349 R350 A351 I356 F367 K373 Y395 F396 V397 T398	L342-T349 HydrophobicContact CB-CG2 3.94Å; L342-T349 HydrophobicContact CD1-CG2 3.81Å; L342-T349 HydrophobicContact CG-CG2 4.31Å; L342-R350 CarbonylContact C-O 3.5Å; L342-R350 VanDerWaalsContact CA-O 3.27Å; L342-R350 WeakPolarHBondContact CA-O 3.14Å; L342-A351 HydrophobicContact CD2-CB 3.56Å; L342-I356 HydrophobicContact CD2-CD1 3.65Å; L342-I356 HydrophobicContact CG-CD1 4.38Å; L342-F367 HydrophobicContact CD2-CZ 4.41Å; L342-K373 HydrophobicContact CD1-CG 3.81Å; L342-Y395 HydrophobicContact CD1-CG 4.12Å; L342-F396 PolarHBondContact N-O 2.92Å; L342-V397 HydrophobicContact CB-CB 4.4Å; L342-V397 HydrophobicContact CB-CG1 4.47Å; L342-V397 HydrophobicContact CB-CG2 3.95Å; L342-V397 HydrophobicContact CD1-CG2 4.13Å; L342-V397 CarbonylContact O-C 3.35Å; L342-V397 WeakPolarHBondContact O-CA 3.48Å; L342-T398 PolarHBondContact O-N 3.33Å
343	C	97.7	Very high	97.2	Very high	7 Å²	7	30.5 Å²	30.5	5%	0.047	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.8	169.2	61.9	0	0	0	0	112.8	C212 T349 R350 L352 T398	C212-C343 WeakPolarHBondContact CB-SG 3.46Å; C343-T349 CarbonylContact O-C 3.52Å; C343-T349 WeakPolarHBondContact O-CA 3.44Å; C343-R350 PolarHBondContact N-O 3.19Å; C343-R350 PolarHBondContact O-N 2.89Å; C343-L352 HydrophobicContact CB-CD2 3.65Å; C343-T398 CarbonylContact C-O 3.49Å; C343-T398 WeakPolarHBondContact CA-O 3.45Å; C343-T398 HydrophobicContact CB-CG2 3.83Å; C343-T398 WeakPolarHBondContact CB-O 3.38Å
344	N	97	Very high	97.2	Very high	56 Å²	56	30.4 Å²	30.4	30%	0.299	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.5	167.6	-165.9	-32.6	0	0	0	109.6	G347 V397 T398	N344-G347 VanDerWaalsContact OD1-CA 3.26Å; N344-G347 WeakPolarHBondContact OD1-CA 3.26Å; N344-G347 PolarHBondContact OD1-N 2.92Å; N344-V397 HydrophobicContact CB-CG1 4.5Å; N344-T398 PolarHBondContact N-O 3.41Å
345	E	95.4	Very high	97	Very high	35 Å²	35	30.1 Å²	30.1	16%	0.164	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	116.1	171.1	-172.5	-177.4	129.6	0	0	108.5	R213 G347 E348 R350	R213-E345 WeakPolarHBondContact CB-OE2 3.46Å; R213-E345 PolarHBondContact N-OE2 2.82Å; E345-G347 PolarHBondContact O-N 3.15Å; E345-E348 PolarHBondContact N-O 3.15Å; E345-E348 PolarHBondContact O-N 2.87Å; E345-R350 HydrophobicContact CB-CG 3.64Å
346	N	93.8	Very high	97	Very high	153 Å²	153	27.8 Å²	27.8	82%	0.818	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	33.1	178.8	-56.4	-48.8	0	0	0	114.4	E348	N346-E348 VanDerWaalsContact C-N 3.32Å
347	G	93.6	Very high	97	Very high	65 Å²	65	27.7 Å²	27.7	67%	0.67	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.6	2.7	-179.2	0	0	0	0	0	114.3	N344 E345	N344-G347 VanDerWaalsContact OD1-CA 3.26Å; N344-G347 WeakPolarHBondContact OD1-CA 3.26Å; N344-G347 PolarHBondContact OD1-N 2.92Å; E345-G347 PolarHBondContact O-N 3.15Å
348	E	95.6	Very high	96.9	Very high	109 Å²	109	27.8 Å²	27.8	51%	0.509	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.8	176.2	-64	-177.1	162.6	0	0	110.8	E345 N346 R350	E345-E348 PolarHBondContact N-O 3.15Å; E345-E348 PolarHBondContact O-N 2.87Å; N346-E348 VanDerWaalsContact C-N 3.32Å; E348-R350 PolarHBondContact O-N 3.19Å; E348-R350 IonicContact OE2-CZ 3.51Å; E348-R350 IonicContact OE2-NE 3.76Å; E348-R350 IonicContact OE2-NH2 2.63Å; E348-R350 PolarHBondContact OE2-NH2 3.15Å
349	T	96.9	Very high	96.7	Very high	58 Å²	58	29.2 Å²	29.2	36%	0.356	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	129	171.9	-51.5	0	0	0	0	109.9	L342 C343 F367 V397	L342-T349 HydrophobicContact CB-CG2 3.94Å; L342-T349 HydrophobicContact CD1-CG2 3.81Å; L342-T349 HydrophobicContact CG-CG2 4.31Å; C343-T349 CarbonylContact O-C 3.52Å; C343-T349 WeakPolarHBondContact O-CA 3.44Å; T349-F367 HydrophobicContact CG2-CE1 4.28Å; T349-F367 WeakPolarHBondContact O-CE1 3.19Å; T349-V397 HydrophobicContact CG2-CG1 4.38Å; T349-V397 HydrophobicContact CG2-CG2 4.17Å
350	R	97.8	Very high	96.5	Very high	44 Å²	44	31.8 Å²	31.8	17%	0.166	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	152.7	174.7	-59.5	-60.1	179.7	160.8	-10.6	109.5	S209 R210 C212 L342 C343 E345 E348	S209-R350 PolarHBondContact O-NH1 2.94Å; R210-R350 WeakPolarHBondContact O-CA 3.44Å; C212-R350 HydrophobicContact CB-CB 3.96Å; L342-R350 CarbonylContact C-O 3.5Å; L342-R350 VanDerWaalsContact CA-O 3.27Å; L342-R350 WeakPolarHBondContact CA-O 3.14Å; C343-R350 PolarHBondContact N-O 3.19Å; C343-R350 PolarHBondContact O-N 2.89Å; E345-R350 HydrophobicContact CB-CG 3.64Å; E348-R350 PolarHBondContact O-N 3.19Å; E348-R350 IonicContact OE2-CZ 3.51Å; E348-R350 IonicContact OE2-NE 3.76Å; E348-R350 IonicContact OE2-NH2 2.63Å; E348-R350 PolarHBondContact OE2-NH2 3.15Å
351	A	98.2	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.8	176.8	0	0	0	0	0	110.6	R210 A211 C212 L342 I356 M357 F367	R210-A351 PolarHBondContact O-N 3.07Å; A211-A351 WeakPolarHBondContact CA-O 3.21Å; C212-A351 PolarHBondContact N-O 3.33Å; L342-A351 HydrophobicContact CD2-CB 3.56Å; A351-I356 HydrophobicContact CB-CB 4.38Å; A351-I356 HydrophobicContact CB-CD1 4.23Å; A351-I356 HydrophobicContact CB-CG2 3.81Å; A351-M357 HydrophobicContact CB-CE 3.19Å; A351-M357 WeakPolarHBondContact O-CE 3.37Å; A351-F367 HydrophobicContact CB-CE2 3.91Å; A351-F367 HydrophobicContact CB-CZ 3.86Å
352	L	97.3	Very high	96.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	19%	0.185	C	C	.	.			trans	-130.4	-18.1	174.9	67.5	90.1	0	0	0	112.1	M302 F308 T337 G341 C343 T398	M302-L352 HydrophobicContact CE-CB 4.09Å; M302-L352 HydrophobicContact SD-CB 4.49Å; F308-L352 HydrophobicContact CE2-CD1 3.73Å; F308-L352 HydrophobicContact CZ-CD1 4.34Å; T337-L352 WeakPolarHBondContact O-CD1 3.4Å; G341-L352 WeakPolarHBondContact O-CG 3.4Å; G341-L352 PolarHBondContact O-N 3.47Å; G341-L352 VanDerWaalsContact O-N 3.15Å; C343-L352 HydrophobicContact CB-CD2 3.65Å; L352-T398 HydrophobicContact CD2-CG2 4.15Å
353	G	97.9	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.			trans	-68.6	135.7	-178	0	0	0	0	0	114	V338 E339 G341 G355 I356 M357	V338-G353 CarbonylContact O-C 3.59Å; V338-G353 VanDerWaalsContact O-CA 3.26Å; V338-G353 WeakPolarHBondContact O-CA 3.2Å; E339-G353 CarbonylContact O-C 3.47Å; E339-G353 WeakPolarHBondContact O-CA 3.11Å; G341-G353 PolarHBondContact O-N 3.22Å; G353-G355 PolarHBondContact O-N 2.56Å; G353-I356 WeakPolarHBondContact O-CB 3.23Å; G353-I356 PolarHBondContact O-N 3.01Å; G353-M357 WeakPolarHBondContact O-CG 3.35Å; G353-M357 PolarHBondContact O-N 2.59Å
354	A	97.7	Very high	95.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-64.8	-37.5	-178	0	0	0	0	0	113.9	G298 H299 V338 E339 I356 M357 S358	G298-A354 VanDerWaalsContact C-CB 3.43Å; H299-A354 HydrophobicContact CB-CB 4.39Å; H299-A354 WeakPolarHBondContact CE1-CB 3.48Å; H299-A354 WeakPolarHBondContact ND1-CB 3.4Å; H299-A354 VanDerWaalsContact NE2-CB 3.32Å; H299-A354 WeakPolarHBondContact NE2-CB 3.45Å; V338-A354 PolarHBondContact O-N 2.86Å; E339-A354 PolarHBondContact O-N 3.17Å; E339-A354 VanDerWaalsContact O-N 3.17Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 3.2Å; A354-M357 PolarHBondContact O-N 3.07Å; A354-S358 VanDerWaalsContact O-CB 3.3Å; A354-S358 WeakPolarHBondContact O-CB 3.28Å; A354-S358 PolarHBondContact O-N 3.49Å; A354-S358 PolarHBondContact O-OG 2.92Å
355	G	95.9	Very high	95.9	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	19%	0.19	C	C	.	.	H	α-helix	trans	-60.6	-38.8	173	0	0	0	0	0	112.3	E339 G353 S359	E339-G355 WeakPolarHBondContact O-CA 3.3Å; E339-G355 PolarHBondContact O-N 2.79Å; G353-G355 PolarHBondContact O-N 2.56Å; G355-S359 WeakPolarHBondContact O-CB 3.11Å; G355-S359 PolarHBondContact O-N 3.38Å
356	I	97	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-69.7	-45.7	173.7	-51.7	175.5	0	0	0	110.1	E339 F340 L342 A351 G353 A354 S358 S359 E362 L363 A366 Y395	E339-I356 PolarHBondContact O-N 3Å; F340-I356 HydrophobicContact CD1-CG1 3.98Å; L342-I356 HydrophobicContact CD2-CD1 3.65Å; L342-I356 HydrophobicContact CG-CD1 4.38Å; A351-I356 HydrophobicContact CB-CB 4.38Å; A351-I356 HydrophobicContact CB-CD1 4.23Å; A351-I356 HydrophobicContact CB-CG2 3.81Å; G353-I356 WeakPolarHBondContact O-CB 3.23Å; G353-I356 PolarHBondContact O-N 3.01Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 3.2Å; I356-S358 VanDerWaalsContact C-N 3.27Å; I356-S358 PolarHBondContact O-N 3.25Å; I356-S359 PolarHBondContact O-N 3.41Å; I356-S359 VanDerWaalsContact O-O 3.13Å; I356-E362 HydrophobicContact CG1-CG 4.15Å; I356-L363 HydrophobicContact CG2-CB 3.95Å; I356-L363 HydrophobicContact CG2-CG 4.28Å; I356-A366 HydrophobicContact CD1-CB 4.31Å; I356-A366 HydrophobicContact CG2-CB 4.18Å; I356-Y395 HydrophobicContact CD1-CD1 3.91Å; I356-Y395 HydrophobicContact CD1-CE1 3.91Å; I356-Y395 HydrophobicContact CG1-CE1 4.16Å
357	M	97.2	Very high	96.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-72.2	-16.7	-175.2	-70.7	-60.3	152.9	0	0	114.8	M203 H207 A211 Y215 A351 G353 A354	M203-M357 WeakPolarHBondContact CE-O 3.24Å; H207-M357 PolarHBondContact CD2-SD 3.17Å; H207-M357 PolarHBondContact CE1-O 2.82Å; H207-M357 PolarHBondContact NE2-O 2.89Å; A211-M357 HydrophobicContact CB-CE 3.59Å; A211-M357 HydrophobicContact CB-SD 3.8Å; Y215-M357 HydrophobicContact CD1-SD 4.28Å; Y215-M357 HydrophobicContact CD2-CB 4.38Å; Y215-M357 HydrophobicContact CD2-CG 3.75Å; Y215-M357 HydrophobicContact CD2-SD 4.24Å; Y215-M357 HydrophobicContact CE1-SD 4.08Å; Y215-M357 HydrophobicContact CE2-CB 3.61Å; Y215-M357 HydrophobicContact CE2-CG 3.46Å; Y215-M357 VanDerWaalsContact CE2-CG 3.46Å; Y215-M357 HydrophobicContact CE2-SD 4.06Å; Y215-M357 HydrophobicContact CG-CG 4.44Å; Y215-M357 HydrophobicContact CG-SD 4.38Å; A351-M357 HydrophobicContact CB-CE 3.19Å; A351-M357 WeakPolarHBondContact O-CE 3.37Å; G353-M357 WeakPolarHBondContact O-CG 3.35Å; G353-M357 PolarHBondContact O-N 2.59Å; A354-M357 PolarHBondContact O-N 3.07Å
358	S	95.9	Very high	96.2	Very high	5 Å²	5	25.1 Å²	25.1	4%	0.035	13%	0.131	C	C	.	.	H	α-helix	trans	-105	-4.5	179.2	60.1	0	0	0	0	114.2	H294 A354 I356	H294-S358 PolarHBondContact ND1-OG 3.36Å; A354-S358 VanDerWaalsContact O-CB 3.3Å; A354-S358 WeakPolarHBondContact O-CB 3.28Å; A354-S358 PolarHBondContact O-N 3.49Å; A354-S358 PolarHBondContact O-OG 2.92Å; I356-S358 VanDerWaalsContact C-N 3.27Å; I356-S358 PolarHBondContact O-N 3.25Å
359	S	94.8	Very high	96.1	Very high	30 Å²	30	28.2 Å²	28.2	21%	0.21	15%	0.151	C	C	.	.			trans	-129.2	112.9	-178	176.8	0	0	0	0	111.4	G355 I356 G361 E362 L363	G355-S359 WeakPolarHBondContact O-CB 3.11Å; G355-S359 PolarHBondContact O-N 3.38Å; I356-S359 PolarHBondContact O-N 3.41Å; I356-S359 VanDerWaalsContact O-O 3.13Å; S359-G361 VanDerWaalsContact C-N 3.27Å; S359-G361 PolarHBondContact O-N 2.99Å; S359-E362 PolarHBondContact O-N 3.41Å; S359-E362 WeakPolarHBondContact OG-CB 3.36Å; S359-E362 PolarHBondContact OG-N 3.34Å; S359-L363 WeakPolarHBondContact O-CB 3.11Å; S359-L363 PolarHBondContact O-N 2.74Å
360	Y	93.5	Very high	96	Very high	75 Å²	75	32.2 Å²	32.2	29%	0.294	17%	0.169	S	C	.	.	H	α-helix	trans	-58.1	-41.5	175.4	-179.8	-89.5	0	0	0	112.1	K202 M203 V206 M285 L363 E364	K202-Y360 HydrophobicContact CD-CD2 4.2Å; K202-Y360 HydrophobicContact CD-CE2 4.5Å; K202-Y360 VanDerWaalsContact CE-CG 3.42Å; K202-Y360 HydrophobicContact CG-CD2 3.96Å; K202-Y360 HydrophobicContact CG-CE2 4.36Å; M203-Y360 PolarHBondContact SD-N 2.68Å; V206-Y360 HydrophobicContact CG1-CD2 4.13Å; V206-Y360 HydrophobicContact CG1-CE2 3.77Å; V206-Y360 HydrophobicContact CG2-CD2 4.49Å; M285-Y360 HydrophobicContact CE-CG 4.17Å; Y360-L363 PolarHBondContact O-N 2.94Å; Y360-E364 HydrophobicContact CD1-CG 4.19Å; Y360-E364 HydrophobicContact CE1-CG 3.69Å; Y360-E364 WeakPolarHBondContact O-CG 3.5Å; Y360-E364 PolarHBondContact O-N 3.45Å
361	G	93.4	Very high	95.9	Very high	17 Å²	17	30.5 Å²	30.5	18%	0.175	16%	0.164	C	C	.	.	H	α-helix	trans	-67.1	-40.3	-179.5	0	0	0	0	0	112.5	S359 E364 N365	S359-G361 VanDerWaalsContact C-N 3.27Å; S359-G361 PolarHBondContact O-N 2.99Å; G361-E364 PolarHBondContact O-N 2.9Å; G361-N365 WeakPolarHBondContact O-CB 3.5Å; G361-N365 PolarHBondContact O-N 2.81Å
362	E	95.3	Very high	95.9	Very high	9 Å²	9	34 Å²	34	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-43	175.8	-166.8	69.9	-152.2	0	0	111.2	F340 I356 S359 N365 A366 Y391 Q392 Y395	F340-E362 HydrophobicContact CD1-CG 3.92Å; F340-E362 HydrophobicContact CE1-CG 3.67Å; I356-E362 HydrophobicContact CG1-CG 4.15Å; S359-E362 PolarHBondContact O-N 3.41Å; S359-E362 WeakPolarHBondContact OG-CB 3.36Å; S359-E362 PolarHBondContact OG-N 3.34Å; E362-N365 PolarHBondContact O-N 3.15Å; E362-A366 VanDerWaalsContact O-CB 3.3Å; E362-A366 WeakPolarHBondContact O-CB 3.3Å; E362-A366 PolarHBondContact O-N 3.22Å; E362-Y391 WeakPolarHBondContact OE2-CA 3.17Å; E362-Y391 WeakPolarHBondContact OE2-CD1 3.17Å; E362-Q392 WeakPolarHBondContact OE1-CG 3.39Å; E362-Q392 PolarHBondContact OE1-N 3.46Å; E362-Y395 PolarHBondContact OE1-OH 3.36Å
363	L	95.5	Very high	95.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60	-46.9	177	-175.7	151.1	0	0	0	111.5	M203 V206 R210 I356 S359 Y360 N365 A366 F367	M203-L363 HydrophobicContact CE-CD1 4.21Å; V206-L363 HydrophobicContact CB-CD1 4.43Å; V206-L363 HydrophobicContact CB-CD2 4.24Å; V206-L363 HydrophobicContact CG2-CD1 3.81Å; V206-L363 HydrophobicContact CG2-CD2 4.26Å; R210-L363 HydrophobicContact CB-CD1 4.26Å; R210-L363 HydrophobicContact CB-CD2 4.37Å; R210-L363 HydrophobicContact CB-CG 4.46Å; R210-L363 HydrophobicContact CG-CD2 3.96Å; I356-L363 HydrophobicContact CG2-CB 3.95Å; I356-L363 HydrophobicContact CG2-CG 4.28Å; S359-L363 WeakPolarHBondContact O-CB 3.11Å; S359-L363 PolarHBondContact O-N 2.74Å; Y360-L363 PolarHBondContact O-N 2.94Å; L363-N365 VanDerWaalsContact C-N 3.35Å; L363-N365 PolarHBondContact O-N 2.7Å; L363-A366 PolarHBondContact O-N 2.93Å; L363-F367 HydrophobicContact CD2-CD2 4.49Å; L363-F367 HydrophobicContact CG-CD2 4.43Å; L363-F367 HydrophobicContact CG-CE2 4.45Å; L363-F367 VanDerWaalsContact O-CD2 3.24Å; L363-F367 WeakPolarHBondContact O-CD2 3.42Å; L363-F367 PolarHBondContact O-N 2.99Å
364	E	95.1	Very high	95.8	Very high	81 Å²	81	41.3 Å²	41.3	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-42.5	174.5	-69.7	-64.3	120	0	0	111.7	Y360 G361 A366 F367 S368	Y360-E364 HydrophobicContact CD1-CG 4.19Å; Y360-E364 HydrophobicContact CE1-CG 3.69Å; Y360-E364 WeakPolarHBondContact O-CG 3.5Å; Y360-E364 PolarHBondContact O-N 3.45Å; G361-E364 PolarHBondContact O-N 2.9Å; E364-A366 PolarHBondContact O-N 3.39Å; E364-F367 PolarHBondContact O-N 3.24Å; E364-S368 VanDerWaalsContact O-CB 3.3Å; E364-S368 WeakPolarHBondContact O-CB 3.34Å; E364-S368 PolarHBondContact O-N 2.91Å
365	N	96.1	Very high	95.8	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-61.8	-45.3	177.7	-177.2	75.5	0	0	0	112.3	G361 E362 L363 F367 S368 S371 Y391 Q392 Y395	G361-N365 WeakPolarHBondContact O-CB 3.5Å; G361-N365 PolarHBondContact O-N 2.81Å; E362-N365 PolarHBondContact O-N 3.15Å; L363-N365 VanDerWaalsContact C-N 3.35Å; L363-N365 PolarHBondContact O-N 2.7Å; N365-F367 PolarHBondContact O-N 2.9Å; N365-S368 PolarHBondContact O-N 2.92Å; N365-S368 VanDerWaalsContact O-N 3.14Å; N365-S368 PolarHBondContact O-OG 3.37Å; N365-S371 PolarHBondContact O-OG 3.46Å; N365-Y391 HydrophobicContact CB-CD2 3.99Å; N365-Y391 HydrophobicContact CB-CG 4.16Å; N365-Q392 PolarHBondContact ND2-O 2.84Å; N365-Y395 PolarHBondContact ND2-OH 2.9Å
366	A	96.8	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-24.5	179.4	0	0	0	0	0	113.2	I356 E362 L363 E364 K373 Y395	I356-A366 HydrophobicContact CD1-CB 4.31Å; I356-A366 HydrophobicContact CG2-CB 4.18Å; E362-A366 VanDerWaalsContact O-CB 3.3Å; E362-A366 WeakPolarHBondContact O-CB 3.3Å; E362-A366 PolarHBondContact O-N 3.22Å; L363-A366 PolarHBondContact O-N 2.93Å; E364-A366 PolarHBondContact O-N 3.39Å; A366-K373 WeakPolarHBondContact O-CE 3.4Å; A366-K373 PolarHBondContact O-NZ 3.21Å; A366-Y395 HydrophobicContact CB-CD1 4.3Å; A366-Y395 HydrophobicContact CB-CD2 4.46Å; A366-Y395 HydrophobicContact CB-CE1 3.79Å; A366-Y395 HydrophobicContact CB-CE2 3.95Å
367	F	96.2	Very high	95.8	Very high	41 Å²	41	49.3 Å²	49.3	18%	0.18	26%	0.264	C	S	.	.	H	α-helix	trans	-109.3	4	177.1	-68.4	-74.1	0	0	0	114.3	R210 L342 T349 A351 L363 E364 N365	R210-F367 HydrophobicContact CB-CD2 4.37Å; R210-F367 HydrophobicContact CB-CE2 3.78Å; R210-F367 HydrophobicContact CB-CZ 4.2Å; R210-F367 HydrophobicContact CG-CD2 4.22Å; R210-F367 HydrophobicContact CG-CE2 4.13Å; L342-F367 HydrophobicContact CD2-CZ 4.41Å; T349-F367 HydrophobicContact CG2-CE1 4.28Å; T349-F367 WeakPolarHBondContact O-CE1 3.19Å; A351-F367 HydrophobicContact CB-CE2 3.91Å; A351-F367 HydrophobicContact CB-CZ 3.86Å; L363-F367 HydrophobicContact CD2-CD2 4.49Å; L363-F367 HydrophobicContact CG-CD2 4.43Å; L363-F367 HydrophobicContact CG-CE2 4.45Å; L363-F367 VanDerWaalsContact O-CD2 3.24Å; L363-F367 WeakPolarHBondContact O-CD2 3.42Å; L363-F367 PolarHBondContact O-N 2.99Å; E364-F367 PolarHBondContact O-N 3.24Å; N365-F367 PolarHBondContact O-N 2.9Å
368	S	95.8	Very high	95.8	Very high	31 Å²	31	49.9 Å²	49.9	22%	0.217	27%	0.267	C	S	.	.	S	Bend	trans	-92.4	170	174.7	75.8	0	0	0	0	112.3	E364 N365 L370 K373	E364-S368 VanDerWaalsContact O-CB 3.3Å; E364-S368 WeakPolarHBondContact O-CB 3.34Å; E364-S368 PolarHBondContact O-N 2.91Å; N365-S368 PolarHBondContact O-N 2.92Å; N365-S368 VanDerWaalsContact O-N 3.14Å; N365-S368 PolarHBondContact O-OG 3.37Å; S368-L370 PolarHBondContact O-N 2.64Å; S368-L370 WeakPolarHBondContact OG-CB 3.32Å; S368-L370 PolarHBondContact OG-N 3.44Å; S368-K373 PolarHBondContact O-NZ 2.86Å
369	D	94.9	Very high	95.7	Very high	175 Å²	175	54.1 Å²	54.1	94%	0.936	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-0.5	172.8	-59.9	-37.2	0	0	0	113.6	S371	D369-S371 PolarHBondContact O-N 3.07Å
370	L	94.4	Very high	95.8	Very high	141 Å²	141	57 Å²	57	74%	0.738	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-10	178.4	-59.2	175.7	0	0	0	113.1	S368	S368-L370 PolarHBondContact O-N 2.64Å; S368-L370 WeakPolarHBondContact OG-CB 3.32Å; S368-L370 PolarHBondContact OG-N 3.44Å
371	S	95.7	Very high	95.9	Very high	8 Å²	8	53.4 Å²	53.4	6%	0.056	29%	0.288	C	S	.	.	S	Bend	trans	-128.8	148.8	-178.8	60.8	0	0	0	0	112.7	N365 D369 K373 K393 Y395	N365-S371 PolarHBondContact O-OG 3.46Å; D369-S371 PolarHBondContact O-N 3.07Å; S371-K373 PolarHBondContact O-NZ 3.19Å; S371-K373 WeakPolarHBondContact OG-CE 3.49Å; S371-K373 PolarHBondContact OG-NZ 2.87Å; S371-K393 WeakPolarHBondContact CA-O 3.48Å; S371-Y395 WeakPolarHBondContact OG-CE2 3.46Å
372	V	96.9	Very high	96	Very high	75 Å²	75	52.7 Å²	52.7	46%	0.455	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140	176.6	-175	0	0	0	0	109.4	E374 K393 I394 Y395	V372-E374 HydrophobicContact CG1-CG 4.14Å; V372-E374 WeakPolarHBondContact CG1-OE1 3.29Å; V372-K393 PolarHBondContact N-O 2.98Å; V372-I394 HydrophobicContact CB-CG1 4.45Å; V372-I394 CarbonylContact O-C 3.51Å; V372-I394 WeakPolarHBondContact O-CA 3.31Å; V372-Y395 PolarHBondContact O-N 3.04Å
373	K	97.6	Very high	96	Very high	66 Å²	66	56.8 Å²	56.8	29%	0.287	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	107.9	177.9	-66.7	88.4	-171.2	166.8	0	107.6	L342 A366 S368 S371 Y395 V397	L342-K373 HydrophobicContact CD1-CG 3.81Å; A366-K373 WeakPolarHBondContact O-CE 3.4Å; A366-K373 PolarHBondContact O-NZ 3.21Å; S368-K373 PolarHBondContact O-NZ 2.86Å; S371-K373 PolarHBondContact O-NZ 3.19Å; S371-K373 WeakPolarHBondContact OG-CE 3.49Å; S371-K373 PolarHBondContact OG-NZ 2.87Å; K373-Y395 WeakPolarHBondContact CA-O 3.35Å; K373-V397 HydrophobicContact CB-CG2 3.8Å; K373-V397 HydrophobicContact CG-CG2 4.37Å
374	E	97	Very high	96.1	Very high	89 Å²	89	59.7 Å²	59.7	42%	0.416	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146	-179.8	-68.1	-64.4	163.3	0	0	110	V372 F376 I394 Y395 F396 V397	V372-E374 HydrophobicContact CG1-CG 4.14Å; V372-E374 WeakPolarHBondContact CG1-OE1 3.29Å; E374-F376 PolarHBondContact O-N 2.72Å; E374-I394 HydrophobicContact CG-CG2 4.16Å; E374-Y395 PolarHBondContact N-O 3.03Å; E374-F396 HydrophobicContact CB-CD1 3.95Å; E374-F396 HydrophobicContact CB-CE1 4.03Å; E374-F396 CarbonylContact O-C 3.6Å; E374-F396 VanDerWaalsContact O-CA 3.31Å; E374-F396 WeakPolarHBondContact O-CA 3.48Å; E374-V397 PolarHBondContact O-N 3.42Å
375	P	97.2	Very high	96	Very high	95 Å²	95	61.7 Å²	61.7	62%	0.617	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	135.9	166.9	-21.8	33.4	0	0	0	110.3	N377	P375-N377 PolarHBondContact O-N 3.18Å; P375-N377 VanDerWaalsContact O-N 3.13Å
376	F	97.5	Very high	95.7	Very high	19 Å²	19	64.9 Å²	64.9	8%	0.083	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-62.9	118.7	177.5	-177.3	-103.7	0	0	0	110.1	T337 E374 I378 A381 F396 V397 M404 E407	T337-F376 HydrophobicContact CG2-CD2 4.2Å; T337-F376 HydrophobicContact CG2-CE2 3.4Å; T337-F376 HydrophobicContact CG2-CZ 3.71Å; E374-F376 PolarHBondContact O-N 2.72Å; F376-I378 HydrophobicContact CE1-CB 4.13Å; F376-I378 HydrophobicContact CZ-CB 4.16Å; F376-I378 HydrophobicContact CZ-CG1 4.28Å; F376-A381 HydrophobicContact CD2-CB 4.24Å; F376-A381 HydrophobicContact CE2-CB 3.78Å; F376-F396 HydrophobicContact CB-CB 4.19Å; F376-F396 HydrophobicContact CD2-CB 3.76Å; F376-F396 HydrophobicContact CD2-CG 4.26Å; F376-F396 HydrophobicContact CG-CB 4.48Å; F376-V397 WeakPolarHBondContact CB-O 3.44Å; F376-V397 PolarHBondContact N-O 3.41Å; F376-M404 HydrophobicContact CE1-CG 4.25Å; F376-M404 HydrophobicContact CZ-CG 4.46Å; F376-E407 WeakPolarHBondContact CD1-OE2 3.28Å; F376-E407 HydrophobicContact CE1-CB 4.17Å; F376-E407 WeakPolarHBondContact CE1-OE2 3.48Å
377	N	95.9	Very high	95.1	Very high	62 Å²	62	67.8 Å²	67.8	33%	0.332	36%	0.364	S	S	.	.			trans	-126.7	116.9	166.8	176.9	-38.8	0	0	0	107	P375 N379 D380 A381	P375-N377 PolarHBondContact O-N 3.18Å; P375-N377 VanDerWaalsContact O-N 3.13Å; N377-N379 VanDerWaalsContact C-N 3.25Å; N377-N379 PolarHBondContact O-N 2.9Å; N377-N379 PolarHBondContact OD1-N 2.96Å; N377-D380 HydrophobicContact CB-CB 4.23Å; N377-D380 WeakPolarHBondContact CB-OD2 3.1Å; N377-D380 PolarHBondContact ND2-OD2 3.32Å; N377-D380 PolarHBondContact O-N 3.48Å; N377-D380 PolarHBondContact OD1-N 3.34Å; N377-A381 WeakPolarHBondContact O-CB 3.42Å; N377-A381 PolarHBondContact O-N 3.5Å
378	I	95.9	Very high	94.4	Very high	11 Å²	11	69.5 Å²	69.5	6%	0.056	38%	0.375	C	S	.	.	H	α-helix	trans	-58.7	-32.5	-174.3	-165.7	158.8	0	0	0	114.7	L333 F376 A382 E407 L408 Y411	L333-I378 HydrophobicContact CD1-CD1 3.99Å; L333-I378 HydrophobicContact CD1-CG1 3.83Å; L333-I378 HydrophobicContact CD2-CD1 4.44Å; L333-I378 HydrophobicContact CD2-CG1 3.63Å; L333-I378 HydrophobicContact CG-CG1 4.39Å; F376-I378 HydrophobicContact CE1-CB 4.13Å; F376-I378 HydrophobicContact CZ-CB 4.16Å; F376-I378 HydrophobicContact CZ-CG1 4.28Å; I378-A382 WeakPolarHBondContact O-CB 3.47Å; I378-A382 PolarHBondContact O-N 2.82Å; I378-E407 HydrophobicContact CB-CB 4.19Å; I378-E407 HydrophobicContact CD1-CB 4.3Å; I378-E407 HydrophobicContact CG2-CB 4.26Å; I378-E407 PolarHBondContact N-OE2 2.86Å; I378-E407 VanDerWaalsContact N-OE2 3.15Å; I378-L408 HydrophobicContact CD1-CB 4.06Å; I378-L408 HydrophobicContact CD1-CD1 4.11Å; I378-Y411 HydrophobicContact CD1-CD1 4.44Å; I378-Y411 HydrophobicContact CD1-CD2 4.42Å; I378-Y411 HydrophobicContact CD1-CG 3.91Å; I378-Y411 HydrophobicContact CG1-CD2 4.13Å; I378-Y411 HydrophobicContact CG1-CG 4.11Å; I378-Y411 HydrophobicContact CG2-CD2 4.17Å
379	N	95.3	Very high	93.9	Very high	95 Å²	95	74.3 Å²	74.3	51%	0.508	40%	0.403	S	S	.	.	H	α-helix	trans	-73.1	-38.8	-179.2	-63.1	-62.8	0	0	0	111.4	N377	N377-N379 VanDerWaalsContact C-N 3.25Å; N377-N379 PolarHBondContact O-N 2.9Å; N377-N379 PolarHBondContact OD1-N 2.96Å
380	D	95.8	Very high	93.5	Very high	89 Å²	89	67.5 Å²	67.5	48%	0.476	37%	0.374	S	S	.	.	H	α-helix	trans	-71.9	-44.8	177.7	-58.6	-32.6	0	0	0	110.1	N377 A382 V383 Q384	N377-D380 HydrophobicContact CB-CB 4.23Å; N377-D380 WeakPolarHBondContact CB-OD2 3.1Å; N377-D380 PolarHBondContact ND2-OD2 3.32Å; N377-D380 PolarHBondContact O-N 3.48Å; N377-D380 PolarHBondContact OD1-N 3.34Å; D380-A382 VanDerWaalsContact C-N 3.35Å; D380-A382 PolarHBondContact O-N 3.13Å; D380-V383 WeakPolarHBondContact O-CG2 3.31Å; D380-V383 PolarHBondContact O-N 3.19Å; D380-Q384 PolarHBondContact O-N 3.28Å; D380-Q384 VanDerWaalsContact O-N 3.1Å
381	A	96.4	Very high	93.5	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-61.4	-39.4	177.4	0	0	0	0	0	112.3	T332 L333 F336 F376 N377 V383 Q384 F396	T332-A381 WeakPolarHBondContact CG2-O 3.37Å; L333-A381 HydrophobicContact CD2-CB 3.89Å; F336-A381 HydrophobicContact CB-CB 4.48Å; F376-A381 HydrophobicContact CD2-CB 4.24Å; F376-A381 HydrophobicContact CE2-CB 3.78Å; N377-A381 WeakPolarHBondContact O-CB 3.42Å; N377-A381 PolarHBondContact O-N 3.5Å; A381-V383 PolarHBondContact O-N 3.31Å; A381-V383 VanDerWaalsContact O-N 3.15Å; A381-Q384 PolarHBondContact O-N 2.78Å; A381-F396 HydrophobicContact CB-CD2 4.09Å; A381-F396 HydrophobicContact CB-CE1 4.33Å; A381-F396 HydrophobicContact CB-CE2 3.88Å; A381-F396 HydrophobicContact CB-CG 4.38Å; A381-F396 HydrophobicContact CB-CZ 4Å
382	A	95.7	Very high	93.4	Very high	3 Å²	3	66.9 Å²	66.9	3%	0.025	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.5	-178.3	0	0	0	0	0	114.4	R329 L333 I378 D380 Y411	R329-A382 HydrophobicContact CB-CB 4.3Å; L333-A382 HydrophobicContact CD1-CB 4.21Å; L333-A382 HydrophobicContact CD2-CB 3.83Å; L333-A382 HydrophobicContact CG-CB 3.87Å; I378-A382 WeakPolarHBondContact O-CB 3.47Å; I378-A382 PolarHBondContact O-N 2.82Å; D380-A382 VanDerWaalsContact C-N 3.35Å; D380-A382 PolarHBondContact O-N 3.13Å; A382-Y411 HydrophobicContact CB-CE2 4.41Å
383	V	95.5	Very high	93.4	Very high	95 Å²	95	70.5 Å²	70.5	58%	0.576	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-0.6	-178.1	-57.8	0	0	0	0	113.2	D380 A381 V385	D380-V383 WeakPolarHBondContact O-CG2 3.31Å; D380-V383 PolarHBondContact O-N 3.19Å; A381-V383 PolarHBondContact O-N 3.31Å; A381-V383 VanDerWaalsContact O-N 3.15Å; V383-V385 PolarHBondContact O-N 2.93Å
384	Q	96.4	Very high	93.3	Very high	60 Å²	60	69.5 Å²	69.5	28%	0.28	37%	0.369	S	S	.	.			trans	-66	128.3	178.6	178.7	58.2	55.1	0	0	110.2	T332 F336 D380 A381 F396	T332-Q384 WeakPolarHBondContact CG2-O 3.49Å; F336-Q384 HydrophobicContact CD2-CB 4.14Å; F336-Q384 HydrophobicContact CD2-CG 4.35Å; F336-Q384 HydrophobicContact CE1-CG 4.08Å; F336-Q384 HydrophobicContact CE2-CB 3.57Å; F336-Q384 HydrophobicContact CE2-CG 3.51Å; F336-Q384 WeakPolarHBondContact CE2-O 3.42Å; F336-Q384 HydrophobicContact CZ-CB 3.98Å; F336-Q384 HydrophobicContact CZ-CG 3.34Å; D380-Q384 PolarHBondContact O-N 3.28Å; D380-Q384 VanDerWaalsContact O-N 3.1Å; A381-Q384 PolarHBondContact O-N 2.78Å; Q384-F396 HydrophobicContact CB-CE2 4.08Å; Q384-F396 HydrophobicContact CB-CZ 4.25Å; Q384-F396 HydrophobicContact CG-CE2 4.03Å; Q384-F396 HydrophobicContact CG-CZ 4.35Å
385	V	92.7	Very high	93.4	Very high	124 Å²	124	65.3 Å²	65.3	75%	0.752	35%	0.349	S	S	*	.			trans	-76.2	131	174.1	-178.3	0	0	0	0	108.9	V383	V383-V385 PolarHBondContact O-N 2.93Å
386	Y	89.7	Confident	93.4	Very high	84 Å²	84	61.2 Å²	61.2	33%	0.329	32%	0.322	S	S	.	.			trans	-109.7	163.5	176	58.9	-95.5	0	0	0	112.4	T332 W335 F336	T332-Y386 HydrophobicContact CG2-CD1 4.25Å; T332-Y386 HydrophobicContact CG2-CE1 4.45Å; W335-Y386 HydrophobicContact CB-CD1 4.39Å; W335-Y386 HydrophobicContact CB-CE1 4.47Å; W335-Y386 AromaticContact CD1-CD1 3.97Å; W335-Y386 AromaticContact CD1-CG 3.66Å; W335-Y386 HydrophobicContact CD2-CD1 4.42Å; W335-Y386 AromaticContact CD2-CD2 3.81Å; W335-Y386 HydrophobicContact CD2-CD2 3.81Å; W335-Y386 HydrophobicContact CD2-CE2 4.04Å; W335-Y386 HydrophobicContact CD2-CG 4.01Å; W335-Y386 AromaticContact CE2-CD2 3.47Å; W335-Y386 VanDerWaalsContact CE2-CD2 3.47Å; W335-Y386 AromaticContact CE2-CG 3.74Å; W335-Y386 HydrophobicContact CE3-CD2 4.32Å; W335-Y386 HydrophobicContact CE3-CE2 4.14Å; W335-Y386 HydrophobicContact CG-CD1 4.02Å; W335-Y386 HydrophobicContact CG-CD2 4.23Å; W335-Y386 HydrophobicContact CG-CE1 4.38Å; W335-Y386 AromaticContact CG-CG 3.94Å; W335-Y386 HydrophobicContact CG-CG 3.94Å; W335-Y386 HydrophobicContact CH2-CD2 4.22Å; W335-Y386 HydrophobicContact CH2-CE2 4.34Å; W335-Y386 AromaticContact CZ2-CD2 3.69Å; W335-Y386 HydrophobicContact CZ2-CD2 3.69Å; W335-Y386 HydrophobicContact CZ2-CE2 4.25Å; W335-Y386 HydrophobicContact CZ2-CG 4.36Å; W335-Y386 HydrophobicContact CZ3-CE2 4.3Å; W335-Y386 AromaticContact NE1-CD2 3.78Å; W335-Y386 AromaticContact NE1-CG 3.55Å; F336-Y386 HydrophobicContact CE2-CD1 4.25Å
387	D	83.9	Confident	93.5	Very high	61 Å²	61	61.1 Å²	61.1	33%	0.326	32%	0.323	S	S	.	.			trans	-108.9	122.3	177	-170.2	-31.2	0	0	0	108.5	V389 G390 Q392	D387-V389 PolarHBondContact OD1-N 2.64Å; D387-G390 PolarHBondContact OD1-N 3.06Å; D387-Q392 PolarHBondContact O-NE2 2.64Å
388	D	82.9	Confident	93.6	Very high	77 Å²	77	58.4 Å²	58.4	41%	0.412	31%	0.308	S	S	.	.	S	Bend	trans	-97.6	5.8	-179.7	68.8	-23.8	0	0	0	113.5	K146 W335	K146-D388 IonicContact NZ-OD2 3.3Å; K146-D388 PolarHBondContact NZ-OD2 3.31Å; W335-D388 HydrophobicContact CH2-CB 4.22Å
389	V	83.8	Confident	93.6	Very high	131 Å²	131	63.7 Å²	63.7	79%	0.794	33%	0.333	S	S	*	.	S	Bend	trans	-114.8	-45.8	-179.7	-178.2	0	0	0	0	111.3	D387	D387-V389 PolarHBondContact OD1-N 2.64Å
390	G	87.8	Confident	93.5	Very high	33 Å²	33	61.6 Å²	61.6	34%	0.34	33%	0.326	S	S	.	.	S	Bend	trans	-95.5	-179.7	-179.8	0	0	0	0	0	113.9	D387	D387-G390 PolarHBondContact OD1-N 3.06Å
391	Y	93.3	Very high	93.5	Very high	130 Å²	130	57.7 Å²	57.7	51%	0.51	31%	0.305	S	S	.	.			trans	-72.7	149.1	170.3	-55	-36.2	0	0	0	111.1	E362 N365 K393	E362-Y391 WeakPolarHBondContact OE2-CA 3.17Å; E362-Y391 WeakPolarHBondContact OE2-CD1 3.17Å; N365-Y391 HydrophobicContact CB-CD2 3.99Å; N365-Y391 HydrophobicContact CB-CG 4.16Å; Y391-K393 PolarHBondContact O-N 3.13Å
392	Q	95	Very high	93.5	Very high	6 Å²	6	61 Å²	61	3%	0.028	32%	0.32	C	S	.	.			trans	-67.4	138.5	-178	-53.7	-51.8	-67.7	0	0	111.2	W335 F340 E362 N365 D387 Y395	W335-Q392 VanDerWaalsContact NE1-OE1 3.15Å; F340-Q392 HydrophobicContact CB-CG 4.18Å; F340-Q392 HydrophobicContact CD1-CG 3.51Å; F340-Q392 HydrophobicContact CD2-CG 4.16Å; F340-Q392 HydrophobicContact CE1-CG 3.85Å; F340-Q392 HydrophobicContact CE2-CG 4.49Å; F340-Q392 HydrophobicContact CG-CG 3.68Å; F340-Q392 HydrophobicContact CZ-CG 4.34Å; E362-Q392 WeakPolarHBondContact OE1-CG 3.39Å; E362-Q392 PolarHBondContact OE1-N 3.46Å; N365-Q392 PolarHBondContact ND2-O 2.84Å; D387-Q392 PolarHBondContact O-NE2 2.64Å; Q392-Y395 HydrophobicContact CB-CD1 4.35Å; Q392-Y395 HydrophobicContact CB-CE1 3.77Å; Q392-Y395 HydrophobicContact CB-CE2 4.04Å; Q392-Y395 HydrophobicContact CG-CE1 4.12Å; Q392-Y395 WeakPolarHBondContact O-CE2 3.33Å; Q392-Y395 PolarHBondContact O-OH 3.38Å
393	K	95.6	Very high	93.4	Very high	150 Å²	150	61.4 Å²	61.4	65%	0.652	32%	0.323	S	S	*	.	S	Bend	trans	-86.9	-24.6	175.1	-64.8	175.5	-175.8	166.2	0	112.3	S371 V372 Y391	S371-K393 WeakPolarHBondContact CA-O 3.48Å; V372-K393 PolarHBondContact N-O 2.98Å; Y391-K393 PolarHBondContact O-N 3.13Å
394	I	96.9	Very high	93.4	Very high	46 Å²	46	57 Å²	57	24%	0.236	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.6	-176.9	-59.5	173.4	0	0	0	107.5	V372 E374 F396	V372-I394 HydrophobicContact CB-CG1 4.45Å; V372-I394 CarbonylContact O-C 3.51Å; V372-I394 WeakPolarHBondContact O-CA 3.31Å; E374-I394 HydrophobicContact CG-CG2 4.16Å; I394-F396 HydrophobicContact CG2-CE2 4.42Å
395	Y	98.1	Very high	93.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.5	170.7	-59	-94.6	0	0	0	108.6	F340 L342 I356 E362 N365 A366 S371 V372 K373 E374 Q392	F340-Y395 HydrophobicContact CB-CD1 4.09Å; F340-Y395 HydrophobicContact CB-CE1 4.21Å; F340-Y395 HydrophobicContact CD1-CE1 4.13Å; F340-Y395 WeakPolarHBondContact O-CD1 3.32Å; L342-Y395 HydrophobicContact CD1-CG 4.12Å; I356-Y395 HydrophobicContact CD1-CD1 3.91Å; I356-Y395 HydrophobicContact CD1-CE1 3.91Å; I356-Y395 HydrophobicContact CG1-CE1 4.16Å; E362-Y395 PolarHBondContact OE1-OH 3.36Å; N365-Y395 PolarHBondContact ND2-OH 2.9Å; A366-Y395 HydrophobicContact CB-CD1 4.3Å; A366-Y395 HydrophobicContact CB-CD2 4.46Å; A366-Y395 HydrophobicContact CB-CE1 3.79Å; A366-Y395 HydrophobicContact CB-CE2 3.95Å; S371-Y395 WeakPolarHBondContact OG-CE2 3.46Å; V372-Y395 PolarHBondContact O-N 3.04Å; K373-Y395 WeakPolarHBondContact CA-O 3.35Å; E374-Y395 PolarHBondContact N-O 3.03Å; Q392-Y395 HydrophobicContact CB-CD1 4.35Å; Q392-Y395 HydrophobicContact CB-CE1 3.77Å; Q392-Y395 HydrophobicContact CB-CE2 4.04Å; Q392-Y395 HydrophobicContact CG-CE1 4.12Å; Q392-Y395 WeakPolarHBondContact O-CE2 3.33Å; Q392-Y395 PolarHBondContact O-OH 3.38Å
396	F	98.2	Very high	93.5	Very high	9 Å²	9	55.4 Å²	55.4	4%	0.039	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	135.7	173.4	-69.5	-85.4	0	0	0	111	F336 L342 E374 F376 A381 Q384 I394	F336-F396 HydrophobicContact CB-CD2 3.7Å; F336-F396 HydrophobicContact CB-CE2 4.22Å; F336-F396 AromaticContact CD1-CD2 3.57Å; F336-F396 HydrophobicContact CD1-CD2 3.57Å; F336-F396 AromaticContact CD1-CE2 3.8Å; F336-F396 HydrophobicContact CD1-CE2 3.8Å; F336-F396 HydrophobicContact CD2-CD2 4.49Å; F336-F396 HydrophobicContact CD2-CE2 4.22Å; F336-F396 HydrophobicContact CE1-CD2 4.35Å; F336-F396 HydrophobicContact CE1-CE2 4.23Å; F336-F396 AromaticContact CG-CD2 3.66Å; F336-F396 HydrophobicContact CG-CD2 3.66Å; F336-F396 AromaticContact CG-CE2 3.8Å; F336-F396 HydrophobicContact CG-CE2 3.8Å; L342-F396 PolarHBondContact N-O 2.92Å; E374-F396 HydrophobicContact CB-CD1 3.95Å; E374-F396 HydrophobicContact CB-CE1 4.03Å; E374-F396 CarbonylContact O-C 3.6Å; E374-F396 VanDerWaalsContact O-CA 3.31Å; E374-F396 WeakPolarHBondContact O-CA 3.48Å; F376-F396 HydrophobicContact CB-CB 4.19Å; F376-F396 HydrophobicContact CD2-CB 3.76Å; F376-F396 HydrophobicContact CD2-CG 4.26Å; F376-F396 HydrophobicContact CG-CB 4.48Å; A381-F396 HydrophobicContact CB-CD2 4.09Å; A381-F396 HydrophobicContact CB-CE1 4.33Å; A381-F396 HydrophobicContact CB-CE2 3.88Å; A381-F396 HydrophobicContact CB-CG 4.38Å; A381-F396 HydrophobicContact CB-CZ 4Å; Q384-F396 HydrophobicContact CB-CE2 4.08Å; Q384-F396 HydrophobicContact CB-CZ 4.25Å; Q384-F396 HydrophobicContact CG-CE2 4.03Å; Q384-F396 HydrophobicContact CG-CZ 4.35Å; I394-F396 HydrophobicContact CG2-CE2 4.42Å
397	V	98.4	Very high	93.8	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.7	-179.6	-171.9	0	0	0	0	109	L342 N344 T349 K373 E374 F376	L342-V397 HydrophobicContact CB-CB 4.4Å; L342-V397 HydrophobicContact CB-CG1 4.47Å; L342-V397 HydrophobicContact CB-CG2 3.95Å; L342-V397 HydrophobicContact CD1-CG2 4.13Å; L342-V397 CarbonylContact O-C 3.35Å; L342-V397 WeakPolarHBondContact O-CA 3.48Å; N344-V397 HydrophobicContact CB-CG1 4.5Å; T349-V397 HydrophobicContact CG2-CG1 4.38Å; T349-V397 HydrophobicContact CG2-CG2 4.17Å; K373-V397 HydrophobicContact CB-CG2 3.8Å; K373-V397 HydrophobicContact CG-CG2 4.37Å; E374-V397 PolarHBondContact O-N 3.42Å; F376-V397 WeakPolarHBondContact CB-O 3.44Å; F376-V397 PolarHBondContact N-O 3.41Å
398	T	97.6	Very high	94.4	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	149.5	172.5	-166	0	0	0	0	111.7	L342 C343 N344 L352 S400 M404	L342-T398 PolarHBondContact O-N 3.33Å; C343-T398 CarbonylContact C-O 3.49Å; C343-T398 WeakPolarHBondContact CA-O 3.45Å; C343-T398 HydrophobicContact CB-CG2 3.83Å; C343-T398 WeakPolarHBondContact CB-O 3.38Å; N344-T398 PolarHBondContact N-O 3.41Å; L352-T398 HydrophobicContact CD2-CG2 4.15Å; T398-S400 VanDerWaalsContact C-N 3.32Å; T398-S400 PolarHBondContact OG1-O 3.32Å; T398-M404 HydrophobicContact CG2-CB 4.46Å
399	E	96.3	Very high	94.9	Very high	122 Å²	122	52 Å²	52	57%	0.57	25%	0.252	S	S	*	.	S	Bend	trans	-69.9	-31.3	175.2	-68.3	-58.7	137.2	0	0	112.5
400	S	94.5	Very high	95.3	Very high	52 Å²	52	50.1 Å²	50.1	36%	0.364	24%	0.238	S	C	.	.			trans	-170.7	161.7	177.2	54.8	0	0	0	0	110.2	T398 E402 S403 M404	T398-S400 VanDerWaalsContact C-N 3.32Å; T398-S400 PolarHBondContact OG1-O 3.32Å; S400-E402 PolarHBondContact O-N 3Å; S400-S403 WeakPolarHBondContact O-CB 3.38Å; S400-S403 PolarHBondContact O-N 3.23Å; S400-S403 PolarHBondContact OG-N 2.66Å; S400-M404 PolarHBondContact O-N 2.95Å
401	I	95	Very high	95.6	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-56.4	-36.9	172.9	-59.7	170.2	0	0	0	111	E214 M302 Q307 F308 M404 K405	E214-I401 HydrophobicContact CB-CD1 4.27Å; E214-I401 HydrophobicContact CG-CD1 3.81Å; M302-I401 HydrophobicContact CE-CD1 3.93Å; Q307-I401 HydrophobicContact CB-CG2 3.79Å; F308-I401 HydrophobicContact CB-CD1 4.31Å; F308-I401 HydrophobicContact CB-CG2 4.47Å; F308-I401 HydrophobicContact CD2-CD1 4.36Å; F308-I401 HydrophobicContact CD2-CG1 4.5Å; I401-M404 HydrophobicContact CG2-CE 4.23Å; I401-M404 WeakPolarHBondContact O-CB 3.26Å; I401-M404 PolarHBondContact O-N 3.18Å; I401-K405 HydrophobicContact CG2-CD 4.29Å; I401-K405 WeakPolarHBondContact O-CG 3.45Å; I401-K405 PolarHBondContact O-N 3.03Å
402	E	95.2	Very high	95.4	Very high	69 Å²	69	46.1 Å²	46.1	32%	0.322	21%	0.214	S	C	.	.	H	α-helix	trans	-67.5	-35.3	176.2	-73.2	-60.9	145.7	0	0	113.1	Q307 S400 K405 R406	Q307-E402 VanDerWaalsContact CG-OE1 3.32Å; Q307-E402 WeakPolarHBondContact CG-OE1 3.37Å; Q307-E402 VanDerWaalsContact NE2-CG 3.35Å; Q307-E402 PolarHBondContact NE2-OE1 3.34Å; S400-E402 PolarHBondContact O-N 3Å; E402-K405 IonicContact OE1-NZ 2.73Å; E402-K405 PolarHBondContact OE1-NZ 2.83Å; E402-K405 IonicContact OE2-NZ 3.94Å; E402-R406 WeakPolarHBondContact O-CB 3.32Å; E402-R406 PolarHBondContact O-N 3.42Å
403	S	95.4	Very high	95	Very high	13 Å²	13	49.6 Å²	49.6	9%	0.091	23%	0.233	C	C	.	.	H	α-helix	trans	-65.3	-44.6	172.7	-161.2	0	0	0	0	111.3	S400 K405 R406 E407	S400-S403 WeakPolarHBondContact O-CB 3.38Å; S400-S403 PolarHBondContact O-N 3.23Å; S400-S403 PolarHBondContact OG-N 2.66Å; S403-K405 PolarHBondContact O-N 2.86Å; S403-R406 PolarHBondContact O-N 3.49Å; S403-R406 PolarHBondContact OG-NH2 2.9Å; S403-E407 PolarHBondContact O-N 2.72Å
404	M	94.9	Very high	94.6	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-44.7	177.2	-168.5	178	58.2	0	0	112	F308 F311 T337 F376 T398 S400 I401 E407 L408	F308-M404 HydrophobicContact CD2-CE 4.23Å; F308-M404 HydrophobicContact CE2-CE 4.15Å; F311-M404 HydrophobicContact CB-CE 4.25Å; F311-M404 HydrophobicContact CD1-CE 3.42Å; F311-M404 VanDerWaalsContact CD1-CE 3.42Å; F311-M404 HydrophobicContact CD1-SD 4.23Å; F311-M404 HydrophobicContact CD2-CE 3.93Å; F311-M404 HydrophobicContact CD2-CG 4.01Å; F311-M404 HydrophobicContact CD2-SD 4.48Å; F311-M404 HydrophobicContact CE1-CE 3.61Å; F311-M404 HydrophobicContact CE1-CG 4.33Å; F311-M404 HydrophobicContact CE1-SD 3.78Å; F311-M404 HydrophobicContact CE2-CB 4.48Å; F311-M404 HydrophobicContact CE2-CE 4.11Å; F311-M404 HydrophobicContact CE2-CG 3.5Å; F311-M404 HydrophobicContact CE2-SD 4.07Å; F311-M404 HydrophobicContact CG-CE 3.58Å; F311-M404 HydrophobicContact CZ-CE 3.96Å; F311-M404 HydrophobicContact CZ-CG 3.68Å; F311-M404 HydrophobicContact CZ-SD 3.7Å; T337-M404 VanDerWaalsContact CB-SD 3.57Å; T337-M404 HydrophobicContact CG2-CG 4.11Å; T337-M404 HydrophobicContact CG2-SD 3.61Å; F376-M404 HydrophobicContact CE1-CG 4.25Å; F376-M404 HydrophobicContact CZ-CG 4.46Å; T398-M404 HydrophobicContact CG2-CB 4.46Å; S400-M404 PolarHBondContact O-N 2.95Å; I401-M404 HydrophobicContact CG2-CE 4.23Å; I401-M404 WeakPolarHBondContact O-CB 3.26Å; I401-M404 PolarHBondContact O-N 3.18Å; M404-E407 PolarHBondContact O-N 3.1Å; M404-L408 PolarHBondContact O-N 3.46Å
405	K	96	Very high	93.6	Very high	9 Å²	9	48 Å²	48	4%	0.039	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-46.9	173.2	-72.6	166.6	65.8	-177.1	0	112.5	Q307 D310 F311 I401 E402 S403 E407 L408 R409	Q307-K405 WeakPolarHBondContact O-CD 3.45Å; D310-K405 IonicContact OD2-NZ 3.19Å; F311-K405 HydrophobicContact CB-CD 4.39Å; F311-K405 HydrophobicContact CB-CG 3.71Å; F311-K405 HydrophobicContact CD2-CG 4.09Å; F311-K405 HydrophobicContact CG-CG 4.37Å; I401-K405 HydrophobicContact CG2-CD 4.29Å; I401-K405 WeakPolarHBondContact O-CG 3.45Å; I401-K405 PolarHBondContact O-N 3.03Å; E402-K405 IonicContact OE1-NZ 2.73Å; E402-K405 PolarHBondContact OE1-NZ 2.83Å; E402-K405 IonicContact OE2-NZ 3.94Å; S403-K405 PolarHBondContact O-N 2.86Å; K405-E407 VanDerWaalsContact C-N 3.32Å; K405-E407 PolarHBondContact O-N 2.9Å; K405-L408 PolarHBondContact O-N 2.77Å; K405-R409 VanDerWaalsContact O-CG 3.3Å; K405-R409 WeakPolarHBondContact O-CG 3.43Å; K405-R409 PolarHBondContact O-N 2.87Å
406	R	95.8	Very high	92.4	Very high	141 Å²	141	50.9 Å²	50.9	53%	0.532	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-42.7	-179.7	177.9	175.9	55	-134.5	-6.4	111.5	E402 S403 R409 N410	E402-R406 WeakPolarHBondContact O-CB 3.32Å; E402-R406 PolarHBondContact O-N 3.42Å; S403-R406 PolarHBondContact O-N 3.49Å; S403-R406 PolarHBondContact OG-NH2 2.9Å; R406-R409 PolarHBondContact O-N 3.02Å; R406-N410 VanDerWaalsContact O-CG 3.23Å; R406-N410 PolarHBondContact O-N 3.28Å; R406-N410 PolarHBondContact O-ND2 3.31Å
407	E	95.9	Very high	91.4	Very high	41 Å²	41	53.3 Å²	53.3	19%	0.192	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-45.6	175.4	-76	-174.2	-127.7	0	0	112	F376 I378 S403 M404 K405 R409 N410 Y411	F376-E407 WeakPolarHBondContact CD1-OE2 3.28Å; F376-E407 HydrophobicContact CE1-CB 4.17Å; F376-E407 WeakPolarHBondContact CE1-OE2 3.48Å; I378-E407 HydrophobicContact CB-CB 4.19Å; I378-E407 HydrophobicContact CD1-CB 4.3Å; I378-E407 HydrophobicContact CG2-CB 4.26Å; I378-E407 PolarHBondContact N-OE2 2.86Å; I378-E407 VanDerWaalsContact N-OE2 3.15Å; S403-E407 PolarHBondContact O-N 2.72Å; M404-E407 PolarHBondContact O-N 3.1Å; K405-E407 VanDerWaalsContact C-N 3.32Å; K405-E407 PolarHBondContact O-N 2.9Å; E407-R409 PolarHBondContact O-N 2.98Å; E407-N410 WeakPolarHBondContact O-CB 3.38Å; E407-N410 PolarHBondContact O-N 3.32Å; E407-Y411 WeakPolarHBondContact O-CB 3.47Å; E407-Y411 PolarHBondContact O-N 3.17Å
408	L	96.2	Very high	90.3	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-45.9	176.1	179.9	60.8	0	0	0	112.7	F311 E314 L315 L333 I378 M404 K405 N410 Y411 I412	F311-L408 HydrophobicContact CD2-CB 4.41Å; F311-L408 HydrophobicContact CD2-CD2 3.74Å; F311-L408 HydrophobicContact CE2-CB 3.98Å; F311-L408 HydrophobicContact CE2-CD2 3.54Å; F311-L408 HydrophobicContact CE2-CG 4.35Å; F311-L408 HydrophobicContact CZ-CD2 4.38Å; E314-L408 HydrophobicContact CB-CD2 3.69Å; L315-L408 HydrophobicContact CD2-CD1 3.77Å; L315-L408 HydrophobicContact CD2-CD2 3.81Å; L315-L408 HydrophobicContact CD2-CG 4.47Å; L315-L408 HydrophobicContact CG-CD2 3.71Å; L333-L408 HydrophobicContact CD1-CD1 4.43Å; I378-L408 HydrophobicContact CD1-CB 4.06Å; I378-L408 HydrophobicContact CD1-CD1 4.11Å; M404-L408 PolarHBondContact O-N 3.46Å; K405-L408 PolarHBondContact O-N 2.77Å; L408-N410 VanDerWaalsContact C-N 3.3Å; L408-N410 PolarHBondContact O-N 3.5Å; L408-Y411 WeakPolarHBondContact O-CB 3.13Å; L408-Y411 PolarHBondContact O-N 3.34Å; L408-I412 HydrophobicContact CD1-CD1 3.87Å; L408-I412 HydrophobicContact CD1-CG1 4.09Å; L408-I412 HydrophobicContact CD2-CD1 4.46Å; L408-I412 HydrophobicContact CG-CD1 3.76Å; L408-I412 HydrophobicContact CG-CG1 4.42Å; L408-I412 VanDerWaalsContact O-CG1 3.3Å; L408-I412 WeakPolarHBondContact O-CG1 3.27Å; L408-I412 PolarHBondContact O-N 2.77Å
409	R	93.3	Very high	89.6	Confident	108 Å²	108	55.5 Å²	55.5	41%	0.408	30%	0.295	S	S	.	.	H	α-helix	trans	-60	-42.1	176.1	-70	171.5	-176.3	179.8	-4.4	111.8	E314 K405 R406 E407 N413	E314-R409 IonicContact OE1-CZ 2.68Å; E314-R409 IonicContact OE1-NE 3.94Å; E314-R409 PolarHBondContact OE1-NE 2.78Å; E314-R409 IonicContact OE1-NH2 3.12Å; E314-R409 PolarHBondContact OE1-NH2 3.26Å; E314-R409 WeakPolarHBondContact OE2-CG 3.36Å; E314-R409 IonicContact OE2-NE 3.81Å; E314-R409 PolarHBondContact OE2-NE 3.13Å; E314-R409 VanDerWaalsContact OE2-NE 3.17Å; K405-R409 VanDerWaalsContact O-CG 3.3Å; K405-R409 WeakPolarHBondContact O-CG 3.43Å; K405-R409 PolarHBondContact O-N 2.87Å; R406-R409 PolarHBondContact O-N 3.02Å; E407-R409 PolarHBondContact O-N 2.98Å; R409-N413 WeakPolarHBondContact O-CB 3.22Å; R409-N413 PolarHBondContact O-N 2.96Å; R409-N413 PolarHBondContact O-ND2 3.35Å
410	N	92.7	Very high	89.2	Confident	93 Å²	93	51.3 Å²	51.3	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-62.9	-46.3	176.6	-71.8	-18.6	0	0	0	111	R406 E407 L408 I412 N413 T414	R406-N410 VanDerWaalsContact O-CG 3.23Å; R406-N410 PolarHBondContact O-N 3.28Å; R406-N410 PolarHBondContact O-ND2 3.31Å; E407-N410 WeakPolarHBondContact O-CB 3.38Å; E407-N410 PolarHBondContact O-N 3.32Å; L408-N410 VanDerWaalsContact C-N 3.3Å; L408-N410 PolarHBondContact O-N 3.5Å; N410-I412 PolarHBondContact O-N 2.84Å; N410-N413 PolarHBondContact O-N 3.23Å; N410-N413 VanDerWaalsContact O-N 3.17Å; N410-T414 WeakPolarHBondContact O-CG2 3.31Å; N410-T414 PolarHBondContact O-N 3Å; N410-T414 PolarHBondContact O-OG1 3.3Å; N410-T414 VanDerWaalsContact O-OG1 3.14Å
411	Y	93.1	Very high	89	Confident	46 Å²	46	49.6 Å²	49.6	18%	0.18	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-48.5	177.5	-177.3	-95.6	0	0	0	112.4	R329 L333 I378 A382 E407 L408 N413 T414 S415	R329-Y411 VanDerWaalsContact CD-OH 3.3Å; R329-Y411 WeakPolarHBondContact CD-OH 3.38Å; L333-Y411 HydrophobicContact CD1-CD1 4.32Å; L333-Y411 HydrophobicContact CD1-CE1 4.2Å; I378-Y411 HydrophobicContact CD1-CD1 4.44Å; I378-Y411 HydrophobicContact CD1-CD2 4.42Å; I378-Y411 HydrophobicContact CD1-CG 3.91Å; I378-Y411 HydrophobicContact CG1-CD2 4.13Å; I378-Y411 HydrophobicContact CG1-CG 4.11Å; I378-Y411 HydrophobicContact CG2-CD2 4.17Å; A382-Y411 HydrophobicContact CB-CE2 4.41Å; E407-Y411 WeakPolarHBondContact O-CB 3.47Å; E407-Y411 PolarHBondContact O-N 3.17Å; L408-Y411 WeakPolarHBondContact O-CB 3.13Å; L408-Y411 PolarHBondContact O-N 3.34Å; Y411-N413 VanDerWaalsContact C-N 3.33Å; Y411-N413 PolarHBondContact O-N 3.43Å; Y411-T414 WeakPolarHBondContact CA-OG1 3.09Å; Y411-T414 PolarHBondContact O-N 3.25Å; Y411-T414 PolarHBondContact O-OG1 2.85Å; Y411-S415 PolarHBondContact O-N 2.91Å
412	I	90.3	Very high	88.9	Confident	33 Å²	33	52.2 Å²	52.2	17%	0.169	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-43.2	175.4	-65.1	164.2	0	0	0	110.4	A318 L408 N410 T414 S415	A318-I412 HydrophobicContact CB-CD1 3.72Å; A318-I412 HydrophobicContact CB-CG1 3.85Å; L408-I412 HydrophobicContact CD1-CD1 3.87Å; L408-I412 HydrophobicContact CD1-CG1 4.09Å; L408-I412 HydrophobicContact CD2-CD1 4.46Å; L408-I412 HydrophobicContact CG-CD1 3.76Å; L408-I412 HydrophobicContact CG-CG1 4.42Å; L408-I412 VanDerWaalsContact O-CG1 3.3Å; L408-I412 WeakPolarHBondContact O-CG1 3.27Å; L408-I412 PolarHBondContact O-N 2.77Å; N410-I412 PolarHBondContact O-N 2.84Å; I412-T414 PolarHBondContact O-N 3.41Å; I412-S415 WeakPolarHBondContact O-CB 3.42Å; I412-S415 PolarHBondContact O-N 3.47Å; I412-S415 PolarHBondContact O-OG 3.1Å
413	N	86.5	Confident	89	Confident	79 Å²	79	50.7 Å²	50.7	42%	0.422	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-25.2	-179.8	-77.6	-35.6	0	0	0	113.1	R409 N410 Y411 R435	R409-N413 WeakPolarHBondContact O-CB 3.22Å; R409-N413 PolarHBondContact O-N 2.96Å; R409-N413 PolarHBondContact O-ND2 3.35Å; N410-N413 PolarHBondContact O-N 3.23Å; N410-N413 VanDerWaalsContact O-N 3.17Å; Y411-N413 VanDerWaalsContact C-N 3.33Å; Y411-N413 PolarHBondContact O-N 3.43Å; N413-R435 VanDerWaalsContact O-CZ 3.3Å; N413-R435 PolarHBondContact O-NH1 2.69Å; N413-R435 PolarHBondContact O-NH2 3.3Å
414	T	85.7	Confident	89	Confident	109 Å²	109	52.7 Å²	52.7	67%	0.669	28%	0.279	S	S	*	.	H	α-helix	trans	-85.2	-10.3	175.9	50.2	0	0	0	0	114.9	N410 Y411 I412 G416	N410-T414 WeakPolarHBondContact O-CG2 3.31Å; N410-T414 PolarHBondContact O-N 3Å; N410-T414 PolarHBondContact O-OG1 3.3Å; N410-T414 VanDerWaalsContact O-OG1 3.14Å; Y411-T414 WeakPolarHBondContact CA-OG1 3.09Å; Y411-T414 PolarHBondContact O-N 3.25Å; Y411-T414 PolarHBondContact O-OG1 2.85Å; I412-T414 PolarHBondContact O-N 3.41Å; T414-G416 PolarHBondContact O-N 3.3Å
415	S	77.2	Confident	88.9	Confident	54 Å²	54	56.9 Å²	56.9	38%	0.378	31%	0.306	S	S	.	.	S	Bend	trans	-60.7	-11.5	-177.9	64.3	0	0	0	0	115.7	Y411 I412 K417	Y411-S415 PolarHBondContact O-N 2.91Å; I412-S415 WeakPolarHBondContact O-CB 3.42Å; I412-S415 PolarHBondContact O-N 3.47Å; I412-S415 PolarHBondContact O-OG 3.1Å; S415-K417 PolarHBondContact O-N 2.73Å
416	G	71.9	Confident	88.9	Confident	60 Å²	60	63.8 Å²	63.8	62%	0.619	34%	0.342	S	S	*	.			trans	71.8	1.6	-177.3	0	0	0	0	0	114.8	T414 S418	T414-G416 PolarHBondContact O-N 3.3Å; G416-S418 PolarHBondContact O-N 2.84Å
417	K	76.9	Confident	88.9	Confident	60 Å²	60	60.2 Å²	60.2	26%	0.261	34%	0.336	S	S	.	.			trans	-61.6	127.8	176.1	-66.1	-172.6	179.9	-173.2	0	111.1	E326 S415 T419 R435	E326-K417 WeakPolarHBondContact OE1-CE 3.48Å; E326-K417 IonicContact OE1-NZ 3.96Å; E326-K417 PolarHBondContact OE1-NZ 3.04Å; E326-K417 WeakPolarHBondContact OE2-CE 3.32Å; E326-K417 IonicContact OE2-NZ 3.56Å; E326-K417 PolarHBondContact OE2-NZ 3.44Å; S415-K417 PolarHBondContact O-N 2.73Å; K417-T419 VanDerWaalsContact C-N 3.33Å; K417-R435 PolarHBondContact O-NE 3.4Å
418	S	75.7	Confident	89	Confident	33 Å²	33	59.5 Å²	59.5	23%	0.231	33%	0.333	C	S	.	.	S	Bend	trans	-73.7	-26.9	179.8	55.4	0	0	0	0	112.5	N123 G416 S434 R435	N123-S418 PolarHBondContact ND2-OG 3.41Å; N123-S418 PolarHBondContact OD1-OG 3.26Å; G416-S418 PolarHBondContact O-N 2.84Å; S418-S434 WeakPolarHBondContact O-CA 3.07Å; S418-R435 PolarHBondContact O-N 3.48Å
419	T	83.6	Confident	89	Confident	34 Å²	34	60.6 Å²	60.6	21%	0.209	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	149	175	55.9	0	0	0	0	111.4	K417 K433	K417-T419 VanDerWaalsContact C-N 3.33Å; T419-K433 CarbonylContact C-O 3.54Å; T419-K433 VanDerWaalsContact CA-O 3.27Å; T419-K433 WeakPolarHBondContact CA-O 3.21Å
420	I	86.5	Confident	89.1	Confident	35 Å²	35	55.7 Å²	55.7	18%	0.179	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.3	178.6	-58.4	175.7	0	0	0	107.8	K433 R435 I438	I420-K433 PolarHBondContact N-O 2.94Å; I420-K433 PolarHBondContact O-N 2.97Å; I420-R435 HydrophobicContact CD1-CG 3.9Å; I420-R435 HydrophobicContact CG1-CG 4.33Å; I420-I438 HydrophobicContact CB-CD1 3.99Å; I420-I438 HydrophobicContact CD1-CD1 4.29Å
421	P	91.7	Very high	89	Confident	16 Å²	16	55.6 Å²	55.6	10%	0.104	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.5	173.6	24.1	-27.4	0	0	0	110.7	L317 L320 V430 M432	L317-P421 HydrophobicContact CB-CG 4.27Å; L317-P421 HydrophobicContact CD2-CB 4.19Å; L317-P421 WeakPolarHBondContact O-CG 3.32Å; L320-P421 HydrophobicContact CB-CB 4.3Å; L320-P421 HydrophobicContact CB-CG 4.3Å; L320-P421 HydrophobicContact CD1-CB 4.12Å; P421-V430 HydrophobicContact CB-CG1 3.63Å; P421-M432 HydrophobicContact CB-SD 3.8Å; P421-M432 HydrophobicContact CG-SD 4.29Å
422	I	92.4	Very high	88.8	Confident	60 Å²	60	55.8 Å²	55.8	31%	0.308	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	123.8	176.8	-60.5	-96	0	0	0	107.2	V430 H431 K433 I438	I422-V430 WeakPolarHBondContact O-CA 3.38Å; I422-H431 PolarHBondContact N-O 3.25Å; I422-H431 PolarHBondContact O-N 3.4Å; I422-K433 HydrophobicContact CB-CD 4.5Å; I422-K433 HydrophobicContact CG1-CB 4.12Å; I422-K433 HydrophobicContact CG1-CD 4.1Å; I422-K433 HydrophobicContact CG1-CG 4.11Å; I422-I438 HydrophobicContact CD1-CD1 3.87Å; I422-I438 HydrophobicContact CD1-CG1 4.05Å; I422-I438 HydrophobicContact CG1-CD1 4.17Å; I422-I438 HydrophobicContact CG1-CG1 4.43Å
423	Y	96.5	Very high	88.5	Confident	38 Å²	38	56.7 Å²	56.7	15%	0.149	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127.7	172.7	177.2	-110.4	0	0	0	110.7	F269 P425 T429 V430	F269-Y423 HydrophobicContact CB-CE2 4.45Å; F269-Y423 HydrophobicContact CD1-CD2 4.16Å; F269-Y423 AromaticContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CE1-CE2 4.45Å; F269-Y423 HydrophobicContact CG-CE2 4.43Å; Y423-P425 HydrophobicContact CD1-CB 4.31Å; Y423-P425 HydrophobicContact CE1-CB 3.8Å; Y423-T429 CarbonylContact C-O 3.56Å; Y423-T429 WeakPolarHBondContact CA-O 3.11Å; Y423-T429 WeakPolarHBondContact CD2-O 3.4Å; Y423-V430 HydrophobicContact CD2-CG2 4.01Å
424	D	95.3	Very high	88.4	Confident	54 Å²	54	54.7 Å²	54.7	29%	0.289	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	111.3	168.4	-171.6	-27.6	0	0	0	109	I426 T427 E428 T429	D424-I426 VanDerWaalsContact C-N 3.28Å; D424-I426 PolarHBondContact O-N 3.48Å; D424-I426 WeakPolarHBondContact OD1-CB 3.35Å; D424-I426 PolarHBondContact OD1-N 3.47Å; D424-T427 WeakPolarHBondContact CB-OG1 3.32Å; D424-T427 PolarHBondContact OD1-N 3.41Å; D424-T427 PolarHBondContact OD2-OG1 3.01Å; D424-E428 VanDerWaalsContact O-CA 3.25Å; D424-E428 WeakPolarHBondContact O-CA 3.42Å; D424-E428 PolarHBondContact O-N 3.37Å; D424-T429 PolarHBondContact N-O 2.8Å; D424-T429 PolarHBondContact O-N 3.24Å
425	P	94.8	Very high	88.1	Confident	90 Å²	90	52 Å²	52	58%	0.584	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-16.8	-179.3	30.5	-35.5	0	0	0	113.9	Y423	Y423-P425 HydrophobicContact CD1-CB 4.31Å; Y423-P425 HydrophobicContact CE1-CB 3.8Å
426	I	95.1	Very high	88.3	Confident	154 Å²	154	51.7 Å²	51.7	79%	0.79	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-43.1	-179.3	-61.2	173.5	0	0	0	109.8	D424	D424-I426 VanDerWaalsContact C-N 3.28Å; D424-I426 PolarHBondContact O-N 3.48Å; D424-I426 WeakPolarHBondContact OD1-CB 3.35Å; D424-I426 PolarHBondContact OD1-N 3.47Å
427	T	96.2	Very high	88.8	Confident	67 Å²	67	50 Å²	50	41%	0.411	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.9	-179.6	51.9	0	0	0	0	113.5	H133 D424 T429	H133-T427 PolarHBondContact CD2-O 3.4Å; D424-T427 WeakPolarHBondContact CB-OG1 3.32Å; D424-T427 PolarHBondContact OD1-N 3.41Å; D424-T427 PolarHBondContact OD2-OG1 3.01Å; T427-T429 PolarHBondContact O-N 3.05Å; T427-T429 PolarHBondContact OG1-OG1 3.28Å
428	E	97.2	Very high	89.1	Confident	26 Å²	26	48.6 Å²	48.6	12%	0.121	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	34.9	-177.3	-49.7	-170.7	134.7	0	0	112.8	I134 Y179 R250 F269 D424	I134-E428 HydrophobicContact CB-CB 4.03Å; I134-E428 HydrophobicContact CG2-CB 3.54Å; I134-E428 HydrophobicContact CG2-CG 4.41Å; I134-E428 WeakPolarHBondContact CG2-OE2 3.07Å; I134-E428 PolarHBondContact N-O 3.17Å; Y179-E428 PolarHBondContact OH-OE2 2.95Å; R250-E428 IonicContact CZ-OE1 2.99Å; R250-E428 IonicContact NH1-OE1 3.59Å; R250-E428 PolarHBondContact NH1-OE1 3.32Å; R250-E428 IonicContact NH1-OE2 3.34Å; R250-E428 IonicContact NH2-OE1 3.01Å; R250-E428 PolarHBondContact NH2-OE1 2.94Å; F269-E428 WeakPolarHBondContact CE1-O 3.48Å; D424-E428 VanDerWaalsContact O-CA 3.25Å; D424-E428 WeakPolarHBondContact O-CA 3.42Å; D424-E428 PolarHBondContact O-N 3.37Å
429	T	97	Very high	89.6	Confident	23 Å²	23	54.6 Å²	54.6	14%	0.141	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	157.5	-177.9	48.9	0	0	0	0	112.2	K132 H133 Y423 D424 T427 H431	K132-T429 CarbonylContact O-C 3.53Å; K132-T429 WeakPolarHBondContact O-CA 2.95Å; K132-T429 WeakPolarHBondContact O-CB 2.87Å; H133-T429 HydrophobicContact CB-CG2 4.23Å; Y423-T429 CarbonylContact C-O 3.56Å; Y423-T429 WeakPolarHBondContact CA-O 3.11Å; Y423-T429 WeakPolarHBondContact CD2-O 3.4Å; D424-T429 PolarHBondContact N-O 2.8Å; D424-T429 PolarHBondContact O-N 3.24Å; T427-T429 PolarHBondContact O-N 3.05Å; T427-T429 PolarHBondContact OG1-OG1 3.28Å; T429-H431 WeakPolarHBondContact CB-NE2 3.43Å; T429-H431 PolarHBondContact OG1-NE2 2.85Å
430	V	95	Very high	89.7	Confident	5 Å²	5	57.8 Å²	57.8	3%	0.03	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.3	167.2	174.1	0	0	0	0	109.9	K132 F269 L317 L320 P421 I422 Y423	K132-V430 PolarHBondContact O-N 3.49Å; F269-V430 HydrophobicContact CD1-CG2 4.46Å; F269-V430 HydrophobicContact CE1-CB 4.48Å; F269-V430 HydrophobicContact CE1-CG2 3.77Å; F269-V430 HydrophobicContact CE2-CG2 3.98Å; F269-V430 HydrophobicContact CZ-CB 4.05Å; F269-V430 HydrophobicContact CZ-CG2 3.49Å; F269-V430 VanDerWaalsContact CZ-CG2 3.49Å; L317-V430 HydrophobicContact CD2-CG2 4.25Å; L320-V430 HydrophobicContact CD1-CB 4.08Å; L320-V430 HydrophobicContact CD1-CG1 3.61Å; L320-V430 HydrophobicContact CD1-CG2 3.86Å; P421-V430 HydrophobicContact CB-CG1 3.63Å; I422-V430 WeakPolarHBondContact O-CA 3.38Å; Y423-V430 HydrophobicContact CD2-CG2 4.01Å
431	H	90.6	Very high	89.7	Confident	91 Å²	91	60.3 Å²	60.3	42%	0.421	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132	176	-57.2	-76.8	0	0	0	110.6	I422 T429 K433	I422-H431 PolarHBondContact N-O 3.25Å; I422-H431 PolarHBondContact O-N 3.4Å; T429-H431 WeakPolarHBondContact CB-NE2 3.43Å; T429-H431 PolarHBondContact OG1-NE2 2.85Å; H431-K433 PolarHBondContact O-N 2.82Å
432	M	88.8	Confident	89.6	Confident	51 Å²	51	64.3 Å²	64.3	25%	0.251	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	116.8	168.2	-67.6	-59.2	-142.7	0	0	109.3	Y130 P421	Y130-M432 HydrophobicContact CE1-CE 4.31Å; Y130-M432 VanDerWaalsContact OH-CG 3.27Å; Y130-M432 WeakPolarHBondContact OH-CG 3.49Å; P421-M432 HydrophobicContact CB-SD 3.8Å; P421-M432 HydrophobicContact CG-SD 4.29Å
433	K	84.3	Confident	89.6	Confident	52 Å²	52	66.7 Å²	66.7	23%	0.226	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	140.5	174.7	-66.6	-163.7	-179.9	-167.5	0	110.6	T419 I420 I422 H431 I438 E441	T419-K433 CarbonylContact C-O 3.54Å; T419-K433 VanDerWaalsContact CA-O 3.27Å; T419-K433 WeakPolarHBondContact CA-O 3.21Å; I420-K433 PolarHBondContact N-O 2.94Å; I420-K433 PolarHBondContact O-N 2.97Å; I422-K433 HydrophobicContact CB-CD 4.5Å; I422-K433 HydrophobicContact CG1-CB 4.12Å; I422-K433 HydrophobicContact CG1-CD 4.1Å; I422-K433 HydrophobicContact CG1-CG 4.11Å; H431-K433 PolarHBondContact O-N 2.82Å; K433-I438 HydrophobicContact CB-CD1 4Å; K433-I438 HydrophobicContact CB-CG1 3.74Å; K433-I438 HydrophobicContact CD-CG1 4.36Å; K433-E441 IonicContact NZ-OE1 2.69Å; K433-E441 PolarHBondContact NZ-OE1 2.65Å; K433-E441 IonicContact NZ-OE2 2.91Å; K433-E441 PolarHBondContact NZ-OE2 2.97Å
434	S	83.4	Confident	89.3	Confident	36 Å²	36	71.2 Å²	71.2	25%	0.252	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	150.4	171.7	69.7	0	0	0	0	110.5	S418 F436 S437 I438	S418-S434 WeakPolarHBondContact O-CA 3.07Å; S434-F436 PolarHBondContact O-N 3.1Å; S434-S437 WeakPolarHBondContact O-CB 3.35Å; S434-S437 PolarHBondContact O-N 3.08Å; S434-S437 WeakPolarHBondContact OG-CB 3.43Å; S434-S437 PolarHBondContact OG-N 3.35Å; S434-S437 VanDerWaalsContact OG-N 3.12Å; S434-I438 WeakPolarHBondContact O-CG1 3.48Å; S434-I438 PolarHBondContact O-N 2.7Å
435	R	81	Confident	89.2	Confident	52 Å²	52	73.1 Å²	73.1	20%	0.196	36%	0.359	C	S	.	.	H	α-helix	trans	-55.2	-35.2	174.2	-67.6	-177.3	178.5	-130.3	-0.3	112.3	N413 K417 S418 I420 R439	N413-R435 VanDerWaalsContact O-CZ 3.3Å; N413-R435 PolarHBondContact O-NH1 2.69Å; N413-R435 PolarHBondContact O-NH2 3.3Å; K417-R435 PolarHBondContact O-NE 3.4Å; S418-R435 PolarHBondContact O-N 3.48Å; I420-R435 HydrophobicContact CD1-CG 3.9Å; I420-R435 HydrophobicContact CG1-CG 4.33Å; R435-R439 WeakPolarHBondContact O-CB 3.43Å; R435-R439 VanDerWaalsContact O-CG 3.26Å; R435-R439 WeakPolarHBondContact O-CG 3.3Å; R435-R439 PolarHBondContact O-N 3.09Å
436	F	80.8	Confident	89.2	Confident	49 Å²	49	72.2 Å²	72.2	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-63.1	-49.1	175.2	-179.6	-95.5	0	0	0	111.9	S434 I438 R439 K440	S434-F436 PolarHBondContact O-N 3.1Å; F436-I438 VanDerWaalsContact C-N 3.32Å; F436-I438 PolarHBondContact O-N 3.28Å; F436-R439 PolarHBondContact O-N 3.26Å; F436-K440 HydrophobicContact CE1-CD 4.26Å; F436-K440 WeakPolarHBondContact O-CB 3.31Å; F436-K440 PolarHBondContact O-N 3.33Å
437	S	81.1	Confident	89.1	Confident	25 Å²	25	72 Å²	72	18%	0.175	35%	0.345	C	S	.	.	H	α-helix	trans	-57.9	-45.8	177.4	-172	0	0	0	0	111.3	S434 K440 E441	S434-S437 WeakPolarHBondContact O-CB 3.35Å; S434-S437 PolarHBondContact O-N 3.08Å; S434-S437 WeakPolarHBondContact OG-CB 3.43Å; S434-S437 PolarHBondContact OG-N 3.35Å; S434-S437 VanDerWaalsContact OG-N 3.12Å; S437-K440 PolarHBondContact O-N 2.86Å; S437-E441 WeakPolarHBondContact O-CG 3.24Å; S437-E441 PolarHBondContact O-N 3.09Å
438	I	85.1	Confident	89	Confident	29 Å²	29	73.4 Å²	73.4	15%	0.149	35%	0.346	C	S	.	.	H	α-helix	trans	-61.2	-48.1	179	-64.9	164.9	0	0	0	110.4	I420 I422 K433 S434 F436 K440 E441 L442	I420-I438 HydrophobicContact CB-CD1 3.99Å; I420-I438 HydrophobicContact CD1-CD1 4.29Å; I422-I438 HydrophobicContact CD1-CD1 3.87Å; I422-I438 HydrophobicContact CD1-CG1 4.05Å; I422-I438 HydrophobicContact CG1-CD1 4.17Å; I422-I438 HydrophobicContact CG1-CG1 4.43Å; K433-I438 HydrophobicContact CB-CD1 4Å; K433-I438 HydrophobicContact CB-CG1 3.74Å; K433-I438 HydrophobicContact CD-CG1 4.36Å; S434-I438 WeakPolarHBondContact O-CG1 3.48Å; S434-I438 PolarHBondContact O-N 2.7Å; F436-I438 VanDerWaalsContact C-N 3.32Å; F436-I438 PolarHBondContact O-N 3.28Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.48Å; I438-E441 PolarHBondContact O-N 2.9Å; I438-L442 HydrophobicContact CG2-CD1 3.81Å; I438-L442 HydrophobicContact CG2-CG 4.37Å; I438-L442 WeakPolarHBondContact O-CB 2.74Å; I438-L442 WeakPolarHBondContact O-CG 3.42Å; I438-L442 PolarHBondContact O-N 3.25Å
439	R	85.5	Confident	88.9	Confident	159 Å²	159	77 Å²	77	60%	0.6	36%	0.363	S	S	*	.	H	α-helix	trans	-58.6	-44.8	177.6	-74.6	173.2	-173.8	167.4	2.5	111.7	R435 F436 L442 L443	R435-R439 WeakPolarHBondContact O-CB 3.43Å; R435-R439 VanDerWaalsContact O-CG 3.26Å; R435-R439 WeakPolarHBondContact O-CG 3.3Å; R435-R439 PolarHBondContact O-N 3.09Å; F436-R439 PolarHBondContact O-N 3.26Å; R439-L442 PolarHBondContact O-N 2.63Å; R439-L443 VanDerWaalsContact O-CB 3.28Å; R439-L443 WeakPolarHBondContact O-CB 3.38Å; R439-L443 WeakPolarHBondContact O-CD1 3.3Å; R439-L443 VanDerWaalsContact O-CG 3.31Å; R439-L443 WeakPolarHBondContact O-CG 3.38Å; R439-L443 PolarHBondContact O-N 3.28Å
440	K	85.9	Confident	88.8	Confident	101 Å²	101	80.8 Å²	80.8	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-44.6	-180	-174.8	177.7	176.3	-178.1	0	111.9	E107 F436 S437 I438 L443 K444	E107-K440 WeakPolarHBondContact OE1-CD 3.35Å; E107-K440 IonicContact OE1-NZ 2.76Å; E107-K440 PolarHBondContact OE1-NZ 3.11Å; E107-K440 IonicContact OE2-NZ 3.99Å; E107-K440 PolarHBondContact OE2-NZ 3.35Å; F436-K440 HydrophobicContact CE1-CD 4.26Å; F436-K440 WeakPolarHBondContact O-CB 3.31Å; F436-K440 PolarHBondContact O-N 3.33Å; S437-K440 PolarHBondContact O-N 2.86Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.48Å; K440-L443 PolarHBondContact O-N 2.93Å; K440-K444 WeakPolarHBondContact O-CB 3.5Å; K440-K444 PolarHBondContact O-N 3.3Å
441	E	86.9	Confident	88.7	Confident	88 Å²	88	82.2 Å²	82.2	41%	0.411	40%	0.397	S	S	.	.	H	α-helix	trans	-62.4	-47	175.6	-73.7	175.1	-172	0	0	111.6	K433 S437 I438 L443 K444 H445	K433-E441 IonicContact NZ-OE1 2.69Å; K433-E441 PolarHBondContact NZ-OE1 2.65Å; K433-E441 IonicContact NZ-OE2 2.91Å; K433-E441 PolarHBondContact NZ-OE2 2.97Å; S437-E441 WeakPolarHBondContact O-CG 3.24Å; S437-E441 PolarHBondContact O-N 3.09Å; I438-E441 PolarHBondContact O-N 2.9Å; E441-L443 PolarHBondContact O-N 2.85Å; E441-K444 PolarHBondContact O-N 2.9Å; E441-H445 PolarHBondContact O-N 3.47Å; E441-H445 WeakPolarHBondContact O-CB 3.35Å
442	L	88.4	Confident	88.7	Confident	101 Å²	101	84 Å²	84	53%	0.529	41%	0.405	S	S	.	.	H	α-helix	trans	-60.9	-45.7	176.1	-74.1	171.4	0	0	0	111.8	I438 R439 K444 H445 V446	I438-L442 HydrophobicContact CG2-CD1 3.81Å; I438-L442 HydrophobicContact CG2-CG 4.37Å; I438-L442 WeakPolarHBondContact O-CB 2.74Å; I438-L442 WeakPolarHBondContact O-CG 3.42Å; I438-L442 PolarHBondContact O-N 3.25Å; R439-L442 PolarHBondContact O-N 2.63Å; L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 2.89Å; L442-H445 PolarHBondContact O-N 3.48Å; L442-V446 WeakPolarHBondContact O-CB 3.46Å; L442-V446 VanDerWaalsContact O-CG2 3.29Å; L442-V446 WeakPolarHBondContact O-CG2 3.07Å; L442-V446 PolarHBondContact O-N 3.41Å
443	L	91.8	Very high	88.9	Confident	109 Å²	109	86.3 Å²	86.3	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-60	-40.8	176	-83.5	156.5	0	0	0	111.9	R439 K440 E441 K447	R439-L443 VanDerWaalsContact O-CB 3.28Å; R439-L443 WeakPolarHBondContact O-CB 3.38Å; R439-L443 WeakPolarHBondContact O-CD1 3.3Å; R439-L443 VanDerWaalsContact O-CG 3.31Å; R439-L443 WeakPolarHBondContact O-CG 3.38Å; R439-L443 PolarHBondContact O-N 3.28Å; K440-L443 PolarHBondContact O-N 2.93Å; E441-L443 PolarHBondContact O-N 2.85Å; L443-K447 PolarHBondContact O-N 2.95Å; L443-K447 VanDerWaalsContact O-N 3.11Å; L443-K447 WeakPolarHBondContact O-CG 3.33Å; L443-K447 VanDerWaalsContact O-CG 3.25Å; L443-K447 WeakPolarHBondContact O-CB 3.35Å
444	K	92	Very high	89.3	Confident	133 Å²	133	88.1 Å²	88.1	58%	0.578	43%	0.431	S	S	*	.	H	α-helix	trans	-64.6	-48.1	175.9	-177.1	-176.8	172.4	-171.6	0	110.7	K440 E441 L442 K447 E448	K440-K444 WeakPolarHBondContact O-CB 3.5Å; K440-K444 PolarHBondContact O-N 3.3Å; E441-K444 PolarHBondContact O-N 2.9Å; L442-K444 VanDerWaalsContact C-N 3.3Å; L442-K444 PolarHBondContact O-N 2.89Å; K444-K447 WeakPolarHBondContact O-CB 3.43Å; K444-K447 PolarHBondContact O-N 2.79Å; K444-E448 WeakPolarHBondContact CE-OE1 3.19Å; K444-E448 IonicContact NZ-OE1 2.66Å; K444-E448 WeakPolarHBondContact O-CG 3.41Å; K444-E448 PolarHBondContact O-N 3.5Å
445	H	91.3	Very high	89.6	Confident	95 Å²	95	89.9 Å²	89.9	44%	0.44	44%	0.44	S	S	.	.	H	α-helix	trans	-61.5	-47.4	-179.8	-173.2	52.8	0	0	0	112.2	E441 L442 K447 E448 E449	E441-H445 PolarHBondContact O-N 3.47Å; E441-H445 WeakPolarHBondContact O-CB 3.35Å; L442-H445 PolarHBondContact O-N 3.48Å; H445-K447 VanDerWaalsContact C-N 3.29Å; H445-K447 PolarHBondContact O-N 3.03Å; H445-E448 WeakPolarHBondContact O-CB 3.4Å; H445-E448 VanDerWaalsContact O-N 3.07Å; H445-E448 PolarHBondContact O-N 3.46Å; H445-E449 IonicContact CE1-OE1 2.78Å; H445-E449 IonicContact NE2-OE1 3.32Å; H445-E449 PolarHBondContact NE2-OE1 3.47Å; H445-E449 PolarHBondContact O-N 3.2Å
446	V	95.3	Very high	90	Very high	70 Å²	70	93.1 Å²	93.1	42%	0.424	46%	0.46	S	S	.	.	H	α-helix	trans	-60.7	-38.2	176.3	170.9	0	0	0	0	111.5	L442 E449 I450	L442-V446 WeakPolarHBondContact O-CB 3.46Å; L442-V446 VanDerWaalsContact O-CG2 3.29Å; L442-V446 WeakPolarHBondContact O-CG2 3.07Å; L442-V446 PolarHBondContact O-N 3.41Å; V446-E449 PolarHBondContact O-N 3.44Å; V446-I450 PolarHBondContact O-N 2.85Å; V446-I450 WeakPolarHBondContact O-CG1 3.16Å; V446-I450 WeakPolarHBondContact O-CB 3.3Å; V446-I450 HydrophobicContact CG1-CG1 4.35Å; V446-I450 HydrophobicContact CG1-CD1 3.75Å
447	K	94.1	Very high	90.4	Very high	151 Å²	151	95.7 Å²	95.7	66%	0.657	48%	0.476	S	S	*	.	H	α-helix	trans	-64.2	-40	174.3	-77.7	175.5	179.1	-175.6	0	112.4	L443 K444 H445 G451	L443-K447 PolarHBondContact O-N 2.95Å; L443-K447 VanDerWaalsContact O-N 3.11Å; L443-K447 WeakPolarHBondContact O-CG 3.33Å; L443-K447 VanDerWaalsContact O-CG 3.25Å; L443-K447 WeakPolarHBondContact O-CB 3.35Å; K444-K447 WeakPolarHBondContact O-CB 3.43Å; K444-K447 PolarHBondContact O-N 2.79Å; H445-K447 VanDerWaalsContact C-N 3.29Å; H445-K447 PolarHBondContact O-N 3.03Å; K447-G451 PolarHBondContact O-N 3.2Å
448	E	94.5	Very high	90.6	Very high	95 Å²	95	100.1 Å²	100.1	44%	0.444	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-44.4	176	-71.1	169.3	178.6	0	0	111.2	K444 H445 G451 Q452	K444-E448 WeakPolarHBondContact CE-OE1 3.19Å; K444-E448 IonicContact NZ-OE1 2.66Å; K444-E448 WeakPolarHBondContact O-CG 3.41Å; K444-E448 PolarHBondContact O-N 3.5Å; H445-E448 WeakPolarHBondContact O-CB 3.4Å; H445-E448 VanDerWaalsContact O-N 3.07Å; H445-E448 PolarHBondContact O-N 3.46Å; E448-G451 PolarHBondContact O-N 3.3Å; E448-Q452 WeakPolarHBondContact O-CG 3.42Å; E448-Q452 PolarHBondContact O-N 3.01Å
449	E	93.9	Very high	90.1	Very high	102 Å²	102	106.5 Å²	106.5	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-43.1	175.4	-69.7	-171.2	149.8	0	0	112.3	H445 V446 G451 Q452 L453	H445-E449 IonicContact CE1-OE1 2.78Å; H445-E449 IonicContact NE2-OE1 3.32Å; H445-E449 PolarHBondContact NE2-OE1 3.47Å; H445-E449 PolarHBondContact O-N 3.2Å; V446-E449 PolarHBondContact O-N 3.44Å; E449-G451 VanDerWaalsContact C-N 3.32Å; E449-G451 PolarHBondContact O-N 3.35Å; E449-Q452 PolarHBondContact O-N 3.49Å; E449-L453 PolarHBondContact O-N 3.08Å
450	I	94.7	Very high	89.1	Confident	103 Å²	103	101 Å²	101	53%	0.528	51%	0.512	S	S	.	.	H	α-helix	trans	-61.7	-41.3	174.5	-70.6	168.5	0	0	0	110.8	V446 Q452 L453 D454	V446-I450 PolarHBondContact O-N 2.85Å; V446-I450 WeakPolarHBondContact O-CG1 3.16Å; V446-I450 WeakPolarHBondContact O-CB 3.3Å; V446-I450 HydrophobicContact CG1-CG1 4.35Å; V446-I450 HydrophobicContact CG1-CD1 3.75Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; I450-Q452 PolarHBondContact O-N 2.49Å; I450-L453 PolarHBondContact O-N 2.86Å; I450-D454 PolarHBondContact O-N 2.9Å
451	G	93.2	Very high	87.9	Confident	34 Å²	34	104.4 Å²	104.4	35%	0.351	54%	0.535	S	S	.	.	H	α-helix	trans	-63.9	-37.6	175.9	0	0	0	0	0	113.1	K447 E448 E449 T455	K447-G451 PolarHBondContact O-N 3.2Å; E448-G451 PolarHBondContact O-N 3.3Å; E449-G451 VanDerWaalsContact C-N 3.32Å; E449-G451 PolarHBondContact O-N 3.35Å; G451-T455 PolarHBondContact O-N 3.43Å; G451-T455 VanDerWaalsContact O-N 3.08Å; G451-T455 PolarHBondContact O-OG1 3.35Å
452	Q	91.8	Very high	86.4	Confident	129 Å²	129	109.9 Å²	109.9	60%	0.603	55%	0.554	S	S	*	*	H	α-helix	trans	-65.5	-42.9	172.8	-71.2	180	22.9	0	0	111.5	E448 E449 I450 D454 T455 L456	E448-Q452 WeakPolarHBondContact O-CG 3.42Å; E448-Q452 PolarHBondContact O-N 3.01Å; E449-Q452 PolarHBondContact O-N 3.49Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; I450-Q452 PolarHBondContact O-N 2.49Å; Q452-D454 PolarHBondContact O-N 2.73Å; Q452-T455 WeakPolarHBondContact O-CB 3.36Å; Q452-T455 PolarHBondContact O-N 3.04Å; Q452-L456 WeakPolarHBondContact O-CG 3.43Å; Q452-L456 PolarHBondContact O-N 2.79Å
453	L	92.4	Very high	84.6	Confident	100 Å²	100	111.3 Å²	111.3	52%	0.524	57%	0.567	S	S	.	*	H	α-helix	trans	-60.4	-45.3	176.6	-178	63.3	0	0	0	111.7	E449 I450 T455 L456 L457	E449-L453 PolarHBondContact O-N 3.08Å; I450-L453 PolarHBondContact O-N 2.86Å; L453-T455 VanDerWaalsContact C-N 3.34Å; L453-T455 PolarHBondContact O-N 3.21Å; L453-L456 PolarHBondContact O-N 3.12Å; L453-L457 HydrophobicContact CD1-CD1 4.47Å; L453-L457 HydrophobicContact CD1-CG 4.49Å; L453-L457 HydrophobicContact CG-CD1 4.14Å; L453-L457 WeakPolarHBondContact O-CG 3.37Å; L453-L457 PolarHBondContact O-N 3.26Å
454	D	91.4	Very high	82.7	Confident	90 Å²	90	113.9 Å²	113.9	48%	0.481	58%	0.58	S	S	.	*	H	α-helix	trans	-61.8	-41.2	176.7	-174.1	53.2	0	0	0	112	I450 Q452 L456 L457 N458	I450-D454 PolarHBondContact O-N 2.9Å; Q452-D454 PolarHBondContact O-N 2.73Å; D454-L456 VanDerWaalsContact C-N 3.33Å; D454-L456 PolarHBondContact O-N 3.23Å; D454-L457 PolarHBondContact O-N 2.66Å; D454-N458 WeakPolarHBondContact O-CB 3.3Å; D454-N458 PolarHBondContact OD2-ND2 3.29Å; D454-N458 VanDerWaalsContact OD1-ND2 3.13Å; D454-N458 PolarHBondContact OD1-ND2 3.21Å; D454-N458 PolarHBondContact O-ND2 3Å; D454-N458 PolarHBondContact O-N 3.14Å; D454-N458 VanDerWaalsContact O-ND2 3.08Å
455	T	90.3	Very high	80.7	Confident	73 Å²	73	116.8 Å²	116.8	45%	0.448	61%	0.613	S	S	.	*	H	α-helix	trans	-60.4	-42.5	174.7	-56.9	0	0	0	0	111.6	G451 Q452 L453 H459	G451-T455 PolarHBondContact O-N 3.43Å; G451-T455 VanDerWaalsContact O-N 3.08Å; G451-T455 PolarHBondContact O-OG1 3.35Å; Q452-T455 WeakPolarHBondContact O-CB 3.36Å; Q452-T455 PolarHBondContact O-N 3.04Å; L453-T455 VanDerWaalsContact C-N 3.34Å; L453-T455 PolarHBondContact O-N 3.21Å; T455-H459 PolarHBondContact O-CD2 2.81Å; T455-H459 VanDerWaalsContact O-CD2 3.22Å; T455-H459 PolarHBondContact O-N 3.3Å; T455-H459 VanDerWaalsContact O-N 3.15Å
456	L	90.2	Very high	80.1	Confident	119 Å²	119	117.9 Å²	117.9	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-66.5	-38.9	176.8	-70.9	170.6	0	0	0	112.3	Q452 L453 D454 S460	Q452-L456 WeakPolarHBondContact O-CG 3.43Å; Q452-L456 PolarHBondContact O-N 2.79Å; L453-L456 PolarHBondContact O-N 3.12Å; D454-L456 VanDerWaalsContact C-N 3.33Å; D454-L456 PolarHBondContact O-N 3.23Å; L456-S460 PolarHBondContact O-OG 3.19Å; L456-S460 PolarHBondContact O-N 2.85Å; L456-S460 WeakPolarHBondContact O-CB 3.4Å
457	L	88.8	Confident	79.3	Confident	104 Å²	104	120.4 Å²	120.4	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-68.8	-38.1	177.4	-70.6	172.4	0	0	0	112.4	L453 D454 S460	L453-L457 HydrophobicContact CD1-CD1 4.47Å; L453-L457 HydrophobicContact CD1-CG 4.49Å; L453-L457 HydrophobicContact CG-CD1 4.14Å; L453-L457 WeakPolarHBondContact O-CG 3.37Å; L453-L457 PolarHBondContact O-N 3.26Å; D454-L457 PolarHBondContact O-N 2.66Å; L457-S460 WeakPolarHBondContact CA-OG 3.38Å; L457-S460 PolarHBondContact O-N 2.85Å; L457-S460 PolarHBondContact O-OG 2.74Å
458	N	84.1	Confident	78.5	Confident	117 Å²	117	118.7 Å²	118.7	63%	0.626	63%	0.63	S	S	*	*	H	α-helix	trans	-77.6	-24.9	179.9	-70.2	-42.1	0	0	0	113.6	D454	D454-N458 WeakPolarHBondContact O-CB 3.3Å; D454-N458 PolarHBondContact OD2-ND2 3.29Å; D454-N458 VanDerWaalsContact OD1-ND2 3.13Å; D454-N458 PolarHBondContact OD1-ND2 3.21Å; D454-N458 PolarHBondContact O-ND2 3Å; D454-N458 PolarHBondContact O-N 3.14Å; D454-N458 VanDerWaalsContact O-ND2 3.08Å
459	H	75.1	Confident	77.6	Confident	164 Å²	164	120.1 Å²	120.1	76%	0.759	64%	0.641	S	S	*	*	H	α-helix	trans	-86	-13.8	173.3	-77.2	-52.4	0	0	0	114	T455 N461	T455-H459 PolarHBondContact O-CD2 2.81Å; T455-H459 VanDerWaalsContact O-CD2 3.22Å; T455-H459 PolarHBondContact O-N 3.3Å; T455-H459 VanDerWaalsContact O-N 3.15Å; H459-N461 PolarHBondContact O-N 2.97Å
460	S	64.2	Low	76.6	Confident	42 Å²	42	121.3 Å²	121.3	29%	0.294	65%	0.651	S	S	.	*			trans	-86.5	104.4	176.5	38.5	0	0	0	0	110.5	L456 L457 Y462	L456-S460 PolarHBondContact O-OG 3.19Å; L456-S460 PolarHBondContact O-N 2.85Å; L456-S460 WeakPolarHBondContact O-CB 3.4Å; L457-S460 WeakPolarHBondContact CA-OG 3.38Å; L457-S460 PolarHBondContact O-N 2.85Å; L457-S460 PolarHBondContact O-OG 2.74Å; S460-Y462 VanDerWaalsContact CB-CD2 3.41Å; S460-Y462 PolarHBondContact O-N 3.41Å
461	N	61	Low	75.4	Confident	174 Å²	174	122.5 Å²	122.5	93%	0.93	66%	0.66	S	S	*	*			trans	-67.5	45.9	154	-81.8	-29.6	0	0	0	110.3	H459 T463	H459-N461 PolarHBondContact O-N 2.97Å; N461-T463 PolarHBondContact O-N 2.84Å
462	Y	56.6	Low	74.1	Confident	203 Å²	203	128.8 Å²	128.8	80%	0.796	68%	0.682	S	S	*	*			trans	-86.5	92.2	175.9	-91	-101	0	0	0	108.2	S460 L464	S460-Y462 VanDerWaalsContact CB-CD2 3.41Å; S460-Y462 PolarHBondContact O-N 3.41Å; Y462-L464 PolarHBondContact O-N 2.8Å
463	T	50.6	Low	72.7	Confident	131 Å²	131	128.8 Å²	128.8	80%	0.804	69%	0.688	S	S	*	*			trans	-62.7	115.1	150.7	35.7	0	0	0	0	107.4	N461	N461-T463 PolarHBondContact O-N 2.84Å
464	L	50.7	Low	71.1	Confident	163 Å²	163	131.2 Å²	131.2	85%	0.853	70%	0.702	S	S	*	*			trans	-52.7	134.9	164.3	-79.3	156.5	0	0	0	108.2	Y462	Y462-L464 PolarHBondContact O-N 2.8Å
465	P	49.9	Very low	69.2	Low	194 Å²	194	134.9 Å²	134.9	100%	1.26	72%	0.722	S	S	*	*			trans	-62.1	0	-179	24.9	-32	0	0	0	113

Retrieved 465 of 465 residues in 491 ms (Link to these results)

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