A0A077ZFS3_TRITR Loading...

Isocitrate dehydrogenase [NAD] subunit, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZFS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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	24.1	Very low	27.8	Very low	246 Å²	246	152.5 Å²	152.5	100%	1.212	80%	0.803	S	S	*	*				0	66.1	0	-77.5	-173.1	-73.2	0	0	108.6	H3	M1-H3 PolarHBondContact O-N 2.61Å
2	E	22.3	Very low	28.8	Very low	188 Å²	188	146.4 Å²	146.4	88%	0.879	80%	0.804	S	S	*	*			trans	-81.2	99.5	170.7	-72.5	167.8	133.2	0	0	107.3
3	H	22.7	Very low	30.6	Very low	157 Å²	157	144.8 Å²	144.8	73%	0.727	79%	0.794	S	S	*	*			trans	178.6	82.7	159.2	-100.9	-64.5	0	0	0	109.1	M1	M1-H3 PolarHBondContact O-N 2.61Å
4	A	25.4	Very low	33.2	Very low	108 Å²	108	145 Å²	145	89%	0.893	79%	0.793	S	S	*	*			trans	-150.1	29.9	170.1	0	0	0	0	0	113.8
5	A	26.9	Very low	36.5	Very low	106 Å²	106	138.1 Å²	138.1	88%	0.876	76%	0.759	S	S	*	*			trans	-124.5	35.2	174.2	0	0	0	0	0	112.6
6	R	25.8	Very low	39.9	Very low	169 Å²	169	133.3 Å²	133.3	64%	0.638	73%	0.729	S	S	*	*			trans	-113.9	134.5	169.8	-68.4	-172.9	174.8	169.8	-0.8	110
7	Y	27.2	Very low	43.2	Very low	188 Å²	188	128.7 Å²	128.7	74%	0.737	71%	0.706	S	S	*	*			trans	85.6	80	164.7	-43.8	-71.3	0	0	0	117.2
8	F	32.1	Very low	46.2	Very low	175 Å²	175	121.6 Å²	121.6	77%	0.768	67%	0.667	S	S	*	*			trans	-103	44.4	150.2	-75.8	-73.5	0	0	0	110.8	R39	F8-R39 HydrophobicContact CE2-CG 4.3Å
9	C	34.3	Very low	48.9	Very low	74 Å²	74	115.2 Å²	115.2	50%	0.5	63%	0.632	S	S	.	*			trans	-127.1	82.1	170.5	-56.2	0	0	0	0	106.9	N11 C15	C9-N11 PolarHBondContact O-N 3.2Å; C9-C15 VanDerWaalsContact SG-CB 3.55Å
10	S	30.5	Very low	51.3	Low	106 Å²	106	109.4 Å²	109.4	74%	0.741	60%	0.6	S	S	*	*			trans	-70.7	113.7	168.9	49.8	0	0	0	0	108.2
11	N	34.6	Very low	53.4	Low	161 Å²	161	104.2 Å²	104.2	86%	0.861	57%	0.572	S	S	*	*	S	Bend	trans	42.2	94.5	156.9	-62.2	-20.2	0	0	0	116.8	C9 N13	C9-N11 PolarHBondContact O-N 3.2Å; N11-N13 PolarHBondContact O-N 2.91Å
12	G	39.4	Very low	56.5	Low	79 Å²	79	92.7 Å²	92.7	81%	0.814	52%	0.515	S	S	*	.	S	Bend	trans	92.3	-5.7	149.7	0	0	0	0	0	118.4
13	N	52.2	Low	59.5	Low	126 Å²	126	83.8 Å²	83.8	67%	0.674	47%	0.474	S	S	*	.			trans	-95.2	119.8	170.3	-76.5	-3.5	0	0	0	110.1	N11 C15	N11-N13 PolarHBondContact O-N 2.91Å; N13-C15 PolarHBondContact O-N 3.07Å; N13-C15 VanDerWaalsContact O-N 3.08Å
14	D	67.8	Low	62.3	Low	147 Å²	147	77.1 Å²	77.1	79%	0.786	44%	0.443	S	S	*	.			trans	-54.4	112.2	175.8	-75.4	-36.6	0	0	0	110.1	H16	D14-H16 PolarHBondContact O-N 2.87Å
15	C	82.4	Confident	65.1	Low	41 Å²	41	72.6 Å²	72.6	28%	0.277	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-81	120.9	179	-177.1	0	0	0	0	109.5	C9 N13 P44	C9-C15 VanDerWaalsContact SG-CB 3.55Å; N13-C15 PolarHBondContact O-N 3.07Å; N13-C15 VanDerWaalsContact O-N 3.08Å; C15-P44 PolarHBondContact SG-O 2.69Å
16	H	90.9	Very high	67.9	Low	62 Å²	62	68 Å²	68	29%	0.287	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.9	178.6	-68.5	-91.5	0	0	0	110.7	D14 P44 L45 K46 L304	D14-H16 PolarHBondContact O-N 2.87Å; H16-P44 PolarHBondContact N-O 3.31Å; H16-L45 HydrophobicContact CB-CD1 4.21Å; H16-K46 PolarHBondContact O-N 3.18Å; H16-L304 HydrophobicContact CB-CD1 4.12Å; H16-L304 HydrophobicContact CB-CD2 4.4Å; H16-L304 PolarHBondContact CE1-O 3.03Å; H16-L304 PolarHBondContact NE2-O 2.84Å
17	V	95.6	Very high	70.9	Confident	55 Å²	55	59.9 Å²	59.9	33%	0.333	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.5	173.8	-175.4	0	0	0	0	109.1	K46 E48	V17-K46 WeakPolarHBondContact CA-O 3.37Å; V17-E48 HydrophobicContact CG1-CB 4.14Å
18	V	97.6	Very high	73.9	Confident	0 Å²	0	57 Å²	57	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.4	177.2	167.9	0	0	0	0	109.3	A20 L45 K46 F47 E48 V76 L78 M300 L304	V18-A20 PolarHBondContact O-N 3.22Å; V18-L45 HydrophobicContact CB-CD1 4.05Å; V18-L45 HydrophobicContact CG2-CD1 3.35Å; V18-L45 HydrophobicContact CG2-CG 4.49Å; V18-K46 PolarHBondContact N-O 3.13Å; V18-F47 HydrophobicContact CB-CD1 4.13Å; V18-F47 HydrophobicContact CB-CE1 4.31Å; V18-F47 HydrophobicContact CG1-CD1 4.08Å; V18-F47 HydrophobicContact CG1-CE1 4.08Å; V18-F47 CarbonylContact O-C 3.52Å; V18-F47 WeakPolarHBondContact O-CA 3.45Å; V18-E48 PolarHBondContact O-N 3.42Å; V18-V76 HydrophobicContact CB-CG1 4.36Å; V18-V76 HydrophobicContact CG2-CG1 3.63Å; V18-V76 HydrophobicContact CG2-CG2 4.34Å; V18-L78 HydrophobicContact CG1-CB 4.29Å; V18-M300 HydrophobicContact CB-SD 4.39Å; V18-M300 HydrophobicContact CG1-CE 4.23Å; V18-M300 HydrophobicContact CG1-SD 3.6Å; V18-M300 VanDerWaalsContact CG1-SD 3.6Å; V18-M300 HydrophobicContact CG2-CE 4.13Å; V18-M300 HydrophobicContact CG2-SD 3.9Å; V18-L304 HydrophobicContact CG2-CD1 3.7Å
19	T	98	Very high	76.7	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	116.6	169.4	-56.8	0	0	0	0	109.8	I21 E48 I50 S70 V71 N74 V76 A77 L78	T19-I21 HydrophobicContact CG2-CG1 4.17Å; T19-E48 CarbonylContact C-O 3.56Å; T19-E48 WeakPolarHBondContact CA-O 3.07Å; T19-I50 HydrophobicContact CG2-CD1 4.32Å; T19-I50 HydrophobicContact CG2-CG1 4.44Å; T19-S70 WeakPolarHBondContact CG2-OG 3.31Å; T19-S70 VanDerWaalsContact OG1-C 3.3Å; T19-S70 PolarHBondContact OG1-O 3.41Å; T19-S70 PolarHBondContact OG1-OG 2.88Å; T19-V71 HydrophobicContact CG2-CG2 3.87Å; T19-N74 PolarHBondContact OG1-ND2 2.68Å; T19-V76 PolarHBondContact N-O 3.36Å; T19-V76 VanDerWaalsContact N-O 3.09Å; T19-A77 CarbonylContact O-C 3.6Å; T19-A77 WeakPolarHBondContact O-CA 3.39Å; T19-A77 WeakPolarHBondContact O-CB 3.12Å; T19-L78 PolarHBondContact O-N 3.46Å
20	A	97	Very high	79.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.6	169.8	0	0	0	0	0	109.4	V18 P22 I31 F47 E48 E49 I50 L78	V18-A20 PolarHBondContact O-N 3.22Å; A20-P22 WeakPolarHBondContact O-CD 3.41Å; A20-I31 HydrophobicContact CB-CG2 4.49Å; A20-F47 HydrophobicContact CB-CB 3.89Å; A20-F47 HydrophobicContact CB-CD1 3.74Å; A20-F47 HydrophobicContact CB-CG 4.07Å; A20-E48 PolarHBondContact N-O 3.43Å; A20-E49 HydrophobicContact CB-CG 3.86Å; A20-E49 WeakPolarHBondContact O-CA 3.27Å; A20-I50 PolarHBondContact O-N 2.91Å; A20-L78 WeakPolarHBondContact CA-O 3.3Å
21	I	94.5	Very high	82.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	91	172.4	-53.4	165.7	0	0	0	106	T19 G23 V67 V71 L78 K79 G80 F96 L100	T19-I21 HydrophobicContact CG2-CG1 4.17Å; I21-G23 PolarHBondContact O-N 3.45Å; I21-G23 VanDerWaalsContact O-N 3.07Å; I21-V67 HydrophobicContact CD1-CG1 3.48Å; I21-V67 VanDerWaalsContact CD1-CG1 3.48Å; I21-V67 HydrophobicContact CG1-CG1 3.98Å; I21-V71 HydrophobicContact CD1-CG2 4.34Å; I21-L78 PolarHBondContact N-O 3.1Å; I21-K79 HydrophobicContact CB-CB 4.22Å; I21-K79 HydrophobicContact CB-CG 4.1Å; I21-K79 HydrophobicContact CD1-CB 4.26Å; I21-K79 HydrophobicContact CD1-CD 4.4Å; I21-K79 HydrophobicContact CD1-CG 4.3Å; I21-K79 HydrophobicContact CG2-CG 4.29Å; I21-G80 PolarHBondContact O-N 3.37Å; I21-F96 HydrophobicContact CG2-CE1 4.33Å; I21-F96 HydrophobicContact CG2-CZ 4.23Å; I21-L100 HydrophobicContact CD1-CD2 4.12Å
22	P	90.4	Very high	85.5	Confident	4 Å²	4	37.1 Å²	37.1	3%	0.026	22%	0.219	C	C	.	.			trans	-57.6	-30.8	-170.4	-26.4	36	0	0	0	113.2	A20 G27 Y28 I31 I50	A20-P22 WeakPolarHBondContact O-CD 3.41Å; P22-G27 CarbonylContact O-C 3.59Å; P22-G27 VanDerWaalsContact O-O 3.05Å; P22-Y28 HydrophobicContact CB-CD2 3.78Å; P22-Y28 HydrophobicContact CB-CE2 4.47Å; P22-Y28 PolarHBondContact O-N 2.71Å; P22-Y28 VanDerWaalsContact O-N 3.12Å; P22-I31 HydrophobicContact CB-CB 4.45Å; P22-I31 HydrophobicContact CB-CG2 4.34Å; P22-I31 HydrophobicContact CG-CG2 4.47Å; P22-I50 WeakPolarHBondContact CD-O 3.47Å
23	G	85.3	Confident	88.2	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.01	18%	0.181	C	C	.	.			trans	70.4	-150.6	-172.9	0	0	0	0	0	112.4	I21 N82	I21-G23 PolarHBondContact O-N 3.45Å; I21-G23 VanDerWaalsContact O-N 3.07Å; G23-N82 WeakPolarHBondContact CA-OD1 3.36Å
24	E	80.9	Confident	90.4	Very high	17 Å²	17	27.5 Å²	27.5	8%	0.079	15%	0.149	C	C	.	.	S	Bend	trans	-126.8	153	-174.1	-63.2	-161.8	144.6	0	0	113.3	V26 G27 S53 T81 R83	E24-V26 PolarHBondContact O-N 2.94Å; E24-G27 PolarHBondContact O-N 3.31Å; E24-S53 VanDerWaalsContact OE1-CB 3.24Å; E24-S53 WeakPolarHBondContact OE1-CB 3.37Å; E24-S53 PolarHBondContact OE1-OG 3.34Å; E24-T81 PolarHBondContact N-O 2.85Å; E24-R83 WeakPolarHBondContact OE2-CB 2.95Å; E24-R83 IonicContact OE2-CZ 3.93Å; E24-R83 IonicContact OE2-NE 3.72Å; E24-R83 PolarHBondContact OE2-NE 3.21Å; E24-R83 IonicContact OE2-NH2 2.7Å
25	G	83.4	Confident	91.8	Very high	14 Å²	14	23.9 Å²	23.9	14%	0.144	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-121.4	176	0	0	0	0	0	111.5	G27 Y28 E29 T283	G25-G27 PolarHBondContact O-N 2.65Å; G25-Y28 WeakPolarHBondContact O-CB 3.1Å; G25-Y28 PolarHBondContact O-N 2.65Å; G25-Y28 VanDerWaalsContact O-N 3.09Å; G25-E29 PolarHBondContact O-N 3.31Å; G25-T283 VanDerWaalsContact CA-CG2 3.4Å
26	V	86.5	Confident	92.5	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-54.9	-35.4	176.1	172.1	0	0	0	0	112.3	E24 Y28 E29 L30 F279 A282 A288	E24-V26 PolarHBondContact O-N 2.94Å; V26-Y28 VanDerWaalsContact C-N 3.28Å; V26-Y28 PolarHBondContact O-N 2.88Å; V26-E29 PolarHBondContact O-N 3.44Å; V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 HydrophobicContact CG1-CG 3.93Å; V26-L30 VanDerWaalsContact O-CG 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.27Å; V26-L30 PolarHBondContact O-N 3.45Å; V26-F279 HydrophobicContact CG2-CB 4.39Å; V26-F279 WeakPolarHBondContact CG2-O 3.44Å; V26-A282 HydrophobicContact CG2-CB 3.92Å; V26-A288 HydrophobicContact CB-CB 4.44Å; V26-A288 HydrophobicContact CG1-CB 3.38Å; V26-A288 HydrophobicContact CG2-CB 4.39Å
27	G	88.2	Confident	92.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-55.4	-44.5	177.3	0	0	0	0	0	112.5	P22 E24 G25 L30 I31	P22-G27 CarbonylContact O-C 3.59Å; P22-G27 VanDerWaalsContact O-O 3.05Å; E24-G27 PolarHBondContact O-N 3.31Å; G25-G27 PolarHBondContact O-N 2.65Å; G27-L30 PolarHBondContact O-N 3.43Å; G27-I31 WeakPolarHBondContact O-CG1 2.99Å; G27-I31 PolarHBondContact O-N 3.09Å
28	Y	89.7	Confident	93	Very high	128 Å²	128	19 Å²	19	50%	0.502	10%	0.098	S	C	.	.	H	α-helix	trans	-64.4	-43.3	179.1	-179.4	-89.2	0	0	0	111.8	P22 G25 V26 L30 I31 A32	P22-Y28 HydrophobicContact CB-CD2 3.78Å; P22-Y28 HydrophobicContact CB-CE2 4.47Å; P22-Y28 PolarHBondContact O-N 2.71Å; P22-Y28 VanDerWaalsContact O-N 3.12Å; G25-Y28 WeakPolarHBondContact O-CB 3.1Å; G25-Y28 PolarHBondContact O-N 2.65Å; G25-Y28 VanDerWaalsContact O-N 3.09Å; V26-Y28 VanDerWaalsContact C-N 3.28Å; V26-Y28 PolarHBondContact O-N 2.88Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.06Å; Y28-I31 PolarHBondContact O-N 2.6Å; Y28-A32 WeakPolarHBondContact O-CB 3.25Å; Y28-A32 PolarHBondContact O-N 3.2Å
29	E	90.8	Very high	92.9	Very high	35 Å²	35	27 Å²	27	16%	0.164	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-41.5	176.7	-70.2	169.3	-125.1	0	0	111.9	G25 V26 A32 S33 G284 G286	G25-E29 PolarHBondContact O-N 3.31Å; V26-E29 PolarHBondContact O-N 3.44Å; E29-A32 PolarHBondContact O-N 3.16Å; E29-S33 PolarHBondContact O-N 3.21Å; E29-G284 WeakPolarHBondContact OE1-CA 3.28Å; E29-G284 PolarHBondContact OE1-N 3.38Å; E29-G286 WeakPolarHBondContact OE2-CA 3.29Å; E29-G286 PolarHBondContact OE2-N 3.27Å; E29-G286 VanDerWaalsContact OE2-N 3.16Å
30	L	93.9	Very high	92.9	Very high	17 Å²	17	29.8 Å²	29.8	9%	0.089	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-42.6	178.6	-69.5	-172.6	0	0	0	112	V26 G27 Y28 S33 V34 A288 P290 V293 T337	V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 HydrophobicContact CG1-CG 3.93Å; V26-L30 VanDerWaalsContact O-CG 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.27Å; V26-L30 PolarHBondContact O-N 3.45Å; G27-L30 PolarHBondContact O-N 3.43Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.06Å; L30-S33 WeakPolarHBondContact O-CB 3.18Å; L30-S33 PolarHBondContact O-N 2.7Å; L30-V34 PolarHBondContact O-N 3.36Å; L30-V34 VanDerWaalsContact O-N 3.13Å; L30-A288 HydrophobicContact CD2-CB 3.85Å; L30-A288 HydrophobicContact CG-CB 4.38Å; L30-P290 HydrophobicContact CD2-CB 3.92Å; L30-V293 HydrophobicContact CB-CB 4.45Å; L30-V293 HydrophobicContact CB-CG1 3.91Å; L30-V293 HydrophobicContact CD2-CG1 4.47Å; L30-T337 HydrophobicContact CD2-CG2 4.5Å
31	I	95	Very high	92.9	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-70.7	-34	177.1	-64	-67.3	0	0	0	111.3	A20 P22 G27 Y28 S33 V34 K35 L78 V293	A20-I31 HydrophobicContact CB-CG2 4.49Å; P22-I31 HydrophobicContact CB-CB 4.45Å; P22-I31 HydrophobicContact CB-CG2 4.34Å; P22-I31 HydrophobicContact CG-CG2 4.47Å; G27-I31 WeakPolarHBondContact O-CG1 2.99Å; G27-I31 PolarHBondContact O-N 3.09Å; Y28-I31 PolarHBondContact O-N 2.6Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 2.96Å; I31-V34 PolarHBondContact O-N 3.3Å; I31-K35 HydrophobicContact CG2-CD 4.43Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 2.78Å; I31-L78 HydrophobicContact CD1-CD2 3.71Å; I31-L78 HydrophobicContact CD1-CG 3.68Å; I31-V293 HydrophobicContact CD1-CG2 3.91Å
32	A	95.1	Very high	92.9	Very high	43 Å²	43	33.7 Å²	33.7	36%	0.355	18%	0.183	S	C	.	.	H	α-helix	trans	-62.4	-39.6	170.9	0	0	0	0	0	112.2	Y28 E29 K35 N36	Y28-A32 WeakPolarHBondContact O-CB 3.25Å; Y28-A32 PolarHBondContact O-N 3.2Å; E29-A32 PolarHBondContact O-N 3.16Å; A32-K35 PolarHBondContact O-N 2.8Å; A32-N36 PolarHBondContact O-N 3.46Å
33	S	96.8	Very high	93.2	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-47.9	173	165.9	0	0	0	0	111.6	E29 L30 I31 K35 N36 V37 P290 T341	E29-S33 PolarHBondContact O-N 3.21Å; L30-S33 WeakPolarHBondContact O-CB 3.18Å; L30-S33 PolarHBondContact O-N 2.7Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 2.96Å; S33-K35 PolarHBondContact O-N 3.15Å; S33-N36 WeakPolarHBondContact O-CB 3.38Å; S33-N36 PolarHBondContact O-N 3.18Å; S33-N36 VanDerWaalsContact O-N 3.12Å; S33-V37 PolarHBondContact O-N 3.32Å; S33-P290 WeakPolarHBondContact OG-CB 3.43Å; S33-T341 WeakPolarHBondContact CB-OG1 3.22Å; S33-T341 PolarHBondContact OG-OG1 3.26Å
34	V	98.1	Very high	93.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-47.4	175.9	172.3	0	0	0	0	111.7	L30 I31 N36 V37 V38 F47 L78 V293 L294 T297	L30-V34 PolarHBondContact O-N 3.36Å; L30-V34 VanDerWaalsContact O-N 3.13Å; I31-V34 PolarHBondContact O-N 3.3Å; V34-N36 PolarHBondContact O-N 3.28Å; V34-V37 PolarHBondContact O-N 2.87Å; V34-V37 VanDerWaalsContact O-N 3.16Å; V34-V38 HydrophobicContact CG1-CG2 4.33Å; V34-V38 WeakPolarHBondContact O-CG2 3.38Å; V34-V38 PolarHBondContact O-N 2.98Å; V34-F47 HydrophobicContact CG1-CE2 4.25Å; V34-F47 HydrophobicContact CG1-CZ 3.78Å; V34-L78 HydrophobicContact CB-CD2 4.31Å; V34-L78 HydrophobicContact CG1-CD2 3.77Å; V34-L78 HydrophobicContact CG2-CD2 4.23Å; V34-V293 HydrophobicContact CG2-CB 4.27Å; V34-V293 HydrophobicContact CG2-CG1 3.67Å; V34-V293 HydrophobicContact CG2-CG2 3.81Å; V34-L294 HydrophobicContact CG2-CD2 4.1Å; V34-T297 HydrophobicContact CG1-CG2 3.77Å; V34-T297 VanDerWaalsContact CG1-OG1 3.28Å; V34-T297 WeakPolarHBondContact CG1-OG1 3.31Å; V34-T297 WeakPolarHBondContact CG2-OG1 3.36Å
35	K	97.4	Very high	94.3	Very high	71 Å²	71	34.8 Å²	34.8	31%	0.309	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-37.3	178	-70.1	171.2	68	-174.7	0	111.9	I31 A32 S33 R39 F47 E49	I31-K35 HydrophobicContact CG2-CD 4.43Å; I31-K35 WeakPolarHBondContact O-CG 3.43Å; I31-K35 PolarHBondContact O-N 2.78Å; A32-K35 PolarHBondContact O-N 2.8Å; S33-K35 PolarHBondContact O-N 3.15Å; K35-R39 VanDerWaalsContact O-CB 3.32Å; K35-R39 WeakPolarHBondContact O-CB 3.27Å; K35-R39 PolarHBondContact O-N 3.26Å; K35-F47 HydrophobicContact CG-CD2 3.76Å; K35-F47 HydrophobicContact CG-CE2 3.97Å; K35-E49 VanDerWaalsContact CE-OE1 3.29Å; K35-E49 WeakPolarHBondContact CE-OE1 3.4Å; K35-E49 IonicContact NZ-OE1 3.61Å; K35-E49 PolarHBondContact NZ-OE1 2.96Å; K35-E49 IonicContact NZ-OE2 2.8Å; K35-E49 PolarHBondContact NZ-OE2 3.49Å
36	N	97.8	Very high	94.8	Very high	45 Å²	45	40.2 Å²	40.2	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-65.8	-42.4	176.6	-171.7	40.1	0	0	0	111.8	A32 S33 V34 S40 T341	A32-N36 PolarHBondContact O-N 3.46Å; S33-N36 WeakPolarHBondContact O-CB 3.38Å; S33-N36 PolarHBondContact O-N 3.18Å; S33-N36 VanDerWaalsContact O-N 3.12Å; V34-N36 PolarHBondContact O-N 3.28Å; N36-S40 VanDerWaalsContact O-CB 3.25Å; N36-S40 WeakPolarHBondContact O-CB 3.28Å; N36-S40 PolarHBondContact O-N 2.67Å; N36-S40 PolarHBondContact O-OG 2.93Å; N36-S40 PolarHBondContact OD1-OG 3.44Å; N36-T341 HydrophobicContact CB-CG2 4.22Å
37	V	98.3	Very high	95.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-56.2	173.9	176.7	0	0	0	0	110.1	S33 V34 R39 S40 T41 L294 L313 T341 I345	S33-V37 PolarHBondContact O-N 3.32Å; V34-V37 PolarHBondContact O-N 2.87Å; V34-V37 VanDerWaalsContact O-N 3.16Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 2.94Å; V37-S40 PolarHBondContact O-N 2.7Å; V37-T41 HydrophobicContact CG1-CG2 4.07Å; V37-T41 WeakPolarHBondContact O-CB 3.49Å; V37-T41 WeakPolarHBondContact O-CG2 3.34Å; V37-T41 PolarHBondContact O-N 3.33Å; V37-T41 PolarHBondContact O-OG1 2.84Å; V37-L294 HydrophobicContact CB-CD2 4.34Å; V37-L294 HydrophobicContact CG2-CD2 3.71Å; V37-L313 HydrophobicContact CG1-CD1 3.72Å; V37-T341 HydrophobicContact CG2-CG2 3.71Å; V37-I345 HydrophobicContact CB-CG1 4.44Å; V37-I345 HydrophobicContact CG2-CD1 4.44Å; V37-I345 HydrophobicContact CG2-CG1 4.1Å
38	V	97.4	Very high	95.7	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-54.5	-44	-178.6	170.7	0	0	0	0	111.8	V34 G42 I43 L45 F47	V34-V38 HydrophobicContact CG1-CG2 4.33Å; V34-V38 WeakPolarHBondContact O-CG2 3.38Å; V34-V38 PolarHBondContact O-N 2.98Å; V38-G42 PolarHBondContact O-N 2.58Å; V38-I43 HydrophobicContact CG1-CB 4.32Å; V38-I43 PolarHBondContact O-N 3.44Å; V38-L45 HydrophobicContact CG1-CB 3.99Å; V38-L45 HydrophobicContact CG2-CD2 4.12Å; V38-F47 HydrophobicContact CB-CE2 4.29Å; V38-F47 HydrophobicContact CG1-CE2 4.37Å; V38-F47 HydrophobicContact CG2-CE2 3.97Å; V38-F47 HydrophobicContact CG2-CZ 4.23Å
39	R	96.5	Very high	95.9	Very high	169 Å²	169	41.9 Å²	41.9	64%	0.638	22%	0.221	S	C	*	.	H	α-helix	trans	-65.3	-43	177.9	-169.3	-176.7	86.9	167.1	5.9	112.4	F8 K35 V37	F8-R39 HydrophobicContact CE2-CG 4.3Å; K35-R39 VanDerWaalsContact O-CB 3.32Å; K35-R39 WeakPolarHBondContact O-CB 3.27Å; K35-R39 PolarHBondContact O-N 3.26Å; V37-R39 VanDerWaalsContact C-N 3.28Å; V37-R39 PolarHBondContact O-N 2.94Å
40	S	97.6	Very high	96	Very high	58 Å²	58	41.1 Å²	41.1	41%	0.406	22%	0.218	S	C	.	.	H	α-helix	trans	-79.1	-27.2	-172.3	-55.5	0	0	0	0	112.7	N36 V37	N36-S40 VanDerWaalsContact O-CB 3.25Å; N36-S40 WeakPolarHBondContact O-CB 3.28Å; N36-S40 PolarHBondContact O-N 2.67Å; N36-S40 PolarHBondContact O-OG 2.93Å; N36-S40 PolarHBondContact OD1-OG 3.44Å; V37-S40 PolarHBondContact O-N 2.7Å
41	T	97	Very high	95.7	Very high	25 Å²	25	43.4 Å²	43.4	15%	0.153	23%	0.227	C	C	.	.	H	α-helix	trans	-94	-10.8	179.3	60.6	0	0	0	0	113.6	V37 I43 F348	V37-T41 HydrophobicContact CG1-CG2 4.07Å; V37-T41 WeakPolarHBondContact O-CB 3.49Å; V37-T41 WeakPolarHBondContact O-CG2 3.34Å; V37-T41 PolarHBondContact O-N 3.33Å; V37-T41 PolarHBondContact O-OG1 2.84Å; T41-I43 VanDerWaalsContact C-N 3.3Å; T41-I43 PolarHBondContact O-N 2.66Å; T41-I43 VanDerWaalsContact OG1-CD1 3.23Å; T41-I43 WeakPolarHBondContact OG1-CD1 3.41Å; T41-I43 VanDerWaalsContact OG1-CG1 3.27Å; T41-I43 WeakPolarHBondContact OG1-CG1 3.2Å; T41-F348 VanDerWaalsContact CB-CD1 3.49Å; T41-F348 HydrophobicContact CG2-CB 3.71Å; T41-F348 HydrophobicContact CG2-CD1 3.45Å; T41-F348 VanDerWaalsContact CG2-CD1 3.45Å; T41-F348 HydrophobicContact CG2-CD2 4.02Å; T41-F348 HydrophobicContact CG2-CE1 4.02Å; T41-F348 HydrophobicContact CG2-CG 3.44Å; T41-F348 VanDerWaalsContact CG2-CG 3.44Å
42	G	95	Very high	95.3	Very high	56 Å²	56	44 Å²	44	58%	0.577	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	19.5	179.1	0	0	0	0	0	114.3	V38	V38-G42 PolarHBondContact O-N 2.58Å
43	I	96.4	Very high	94.4	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.041	22%	0.216	C	C	.	.			trans	-56.9	131.7	174.7	-69.3	166	0	0	0	108.8	V38 T41 L45 L301 E309 F348	V38-I43 HydrophobicContact CG1-CB 4.32Å; V38-I43 PolarHBondContact O-N 3.44Å; T41-I43 VanDerWaalsContact C-N 3.3Å; T41-I43 PolarHBondContact O-N 2.66Å; T41-I43 VanDerWaalsContact OG1-CD1 3.23Å; T41-I43 WeakPolarHBondContact OG1-CD1 3.41Å; T41-I43 VanDerWaalsContact OG1-CG1 3.27Å; T41-I43 WeakPolarHBondContact OG1-CG1 3.2Å; I43-L45 HydrophobicContact CG2-CB 3.9Å; I43-L45 PolarHBondContact O-N 2.71Å; I43-L301 HydrophobicContact CD1-CD1 3.96Å; I43-L301 HydrophobicContact CG2-CD1 4.08Å; I43-L301 HydrophobicContact CG2-CD2 3.55Å; I43-L301 HydrophobicContact CG2-CG 4.48Å; I43-E309 HydrophobicContact CG1-CB 4.19Å; I43-E309 HydrophobicContact CG1-CG 4.22Å; I43-E309 HydrophobicContact CG2-CB 4.34Å; I43-E309 HydrophobicContact CG2-CG 4.35Å; I43-F348 HydrophobicContact CD1-CE2 3.89Å; I43-F348 HydrophobicContact CD1-CZ 3.99Å; I43-F348 HydrophobicContact CG1-CE2 4.3Å; I43-F348 HydrophobicContact CG1-CZ 3.88Å
44	P	94.2	Very high	93	Very high	23 Å²	23	44.7 Å²	44.7	15%	0.149	23%	0.227	C	C	.	.	S	Bend	trans	-77.1	56.3	-173.7	33.3	-37	0	0	0	112.5	C15 H16 L306	C15-P44 PolarHBondContact SG-O 2.69Å; H16-P44 PolarHBondContact N-O 3.31Å; P44-L306 HydrophobicContact CG-CD1 4.02Å; P44-L306 HydrophobicContact CG-CD2 3.83Å
45	L	94.7	Very high	91.4	Very high	14 Å²	14	48.8 Å²	48.8	7%	0.073	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131	-175.5	-178.7	68.6	0	0	0	111.2	H16 V18 V38 I43 F47 M300 L301 L304	H16-L45 HydrophobicContact CB-CD1 4.21Å; V18-L45 HydrophobicContact CB-CD1 4.05Å; V18-L45 HydrophobicContact CG2-CD1 3.35Å; V18-L45 HydrophobicContact CG2-CG 4.49Å; V38-L45 HydrophobicContact CG1-CB 3.99Å; V38-L45 HydrophobicContact CG2-CD2 4.12Å; I43-L45 HydrophobicContact CG2-CB 3.9Å; I43-L45 PolarHBondContact O-N 2.71Å; L45-F47 HydrophobicContact CD2-CE1 3.8Å; L45-F47 HydrophobicContact CD2-CE2 4.01Å; L45-F47 HydrophobicContact CD2-CZ 3.41Å; L45-F47 VanDerWaalsContact CD2-CZ 3.41Å; L45-F47 HydrophobicContact CG-CE1 4.43Å; L45-F47 HydrophobicContact CG-CZ 4.23Å; L45-M300 HydrophobicContact CD2-CE 3.56Å; L45-L301 HydrophobicContact CB-CD2 4.43Å; L45-L301 HydrophobicContact CD2-CD2 4.1Å; L45-L304 HydrophobicContact CD1-CD1 3.97Å
46	K	95.2	Very high	89.6	Confident	129 Å²	129	53.3 Å²	53.3	56%	0.561	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.6	174.7	-176.8	-179.7	176.8	-169.9	0	110.4	H16 V17 V18	H16-K46 PolarHBondContact O-N 3.18Å; V17-K46 WeakPolarHBondContact CA-O 3.37Å; V18-K46 PolarHBondContact N-O 3.13Å
47	F	96.8	Very high	87.6	Confident	28 Å²	28	60.9 Å²	60.9	12%	0.123	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.5	173.5	-65.2	-69.5	0	0	0	111.4	V18 A20 V34 K35 V38 L45 E49 L78 M300	V18-F47 HydrophobicContact CB-CD1 4.13Å; V18-F47 HydrophobicContact CB-CE1 4.31Å; V18-F47 HydrophobicContact CG1-CD1 4.08Å; V18-F47 HydrophobicContact CG1-CE1 4.08Å; V18-F47 CarbonylContact O-C 3.52Å; V18-F47 WeakPolarHBondContact O-CA 3.45Å; A20-F47 HydrophobicContact CB-CB 3.89Å; A20-F47 HydrophobicContact CB-CD1 3.74Å; A20-F47 HydrophobicContact CB-CG 4.07Å; V34-F47 HydrophobicContact CG1-CE2 4.25Å; V34-F47 HydrophobicContact CG1-CZ 3.78Å; K35-F47 HydrophobicContact CG-CD2 3.76Å; K35-F47 HydrophobicContact CG-CE2 3.97Å; V38-F47 HydrophobicContact CB-CE2 4.29Å; V38-F47 HydrophobicContact CG1-CE2 4.37Å; V38-F47 HydrophobicContact CG2-CE2 3.97Å; V38-F47 HydrophobicContact CG2-CZ 4.23Å; L45-F47 HydrophobicContact CD2-CE1 3.8Å; L45-F47 HydrophobicContact CD2-CE2 4.01Å; L45-F47 HydrophobicContact CD2-CZ 3.41Å; L45-F47 VanDerWaalsContact CD2-CZ 3.41Å; L45-F47 HydrophobicContact CG-CE1 4.43Å; L45-F47 HydrophobicContact CG-CZ 4.23Å; F47-E49 HydrophobicContact CB-CG 4.32Å; F47-L78 HydrophobicContact CE1-CB 4.5Å; F47-L78 HydrophobicContact CE1-CD2 4.11Å; F47-L78 HydrophobicContact CZ-CD2 4.34Å; F47-M300 HydrophobicContact CE1-CE 4.21Å
48	E	96.2	Very high	85.8	Confident	52 Å²	52	62.8 Å²	62.8	24%	0.243	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	100.9	160.1	-174.2	-168.1	146.1	0	0	107.9	V17 V18 T19 A20 S70 R73 N74	V17-E48 HydrophobicContact CG1-CB 4.14Å; V18-E48 PolarHBondContact O-N 3.42Å; T19-E48 CarbonylContact C-O 3.56Å; T19-E48 WeakPolarHBondContact CA-O 3.07Å; A20-E48 PolarHBondContact N-O 3.43Å; E48-S70 WeakPolarHBondContact OE1-CB 3.38Å; E48-S70 PolarHBondContact OE1-OG 3.44Å; E48-S70 PolarHBondContact OE2-OG 3.29Å; E48-R73 IonicContact OE1-CZ 2.66Å; E48-R73 IonicContact OE1-NH2 3.68Å; E48-R73 PolarHBondContact OE1-NH2 2.95Å; E48-R73 IonicContact OE2-CZ 3.81Å; E48-R73 IonicContact OE2-NH2 2.69Å; E48-R73 PolarHBondContact OE2-NH2 2.85Å; E48-N74 PolarHBondContact OE2-ND2 3.06Å
49	E	94.6	Very high	84.1	Confident	90 Å²	90	69.2 Å²	69.2	42%	0.421	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	124.2	-175.8	-73	174.8	-92.1	0	0	111.7	A20 K35 F47	A20-E49 HydrophobicContact CB-CG 3.86Å; A20-E49 WeakPolarHBondContact O-CA 3.27Å; K35-E49 VanDerWaalsContact CE-OE1 3.29Å; K35-E49 WeakPolarHBondContact CE-OE1 3.4Å; K35-E49 IonicContact NZ-OE1 3.61Å; K35-E49 PolarHBondContact NZ-OE1 2.96Å; K35-E49 IonicContact NZ-OE2 2.8Å; K35-E49 PolarHBondContact NZ-OE2 3.49Å; F47-E49 HydrophobicContact CB-CG 4.32Å
50	I	92.4	Very high	82.9	Confident	19 Å²	19	64.7 Å²	64.7	10%	0.097	35%	0.352	C	S	.	.			trans	-120.5	112.7	172.2	-56	-171.1	0	0	0	109	T19 A20 P22 A62 V67 S70	T19-I50 HydrophobicContact CG2-CD1 4.32Å; T19-I50 HydrophobicContact CG2-CG1 4.44Å; A20-I50 PolarHBondContact O-N 2.91Å; P22-I50 WeakPolarHBondContact CD-O 3.47Å; I50-A62 HydrophobicContact CG2-CB 3.36Å; I50-V67 HydrophobicContact CB-CG2 4.42Å; I50-V67 HydrophobicContact CG2-CG2 3.57Å; I50-S70 VanDerWaalsContact CD1-OG 3.31Å; I50-S70 WeakPolarHBondContact CD1-OG 3.13Å
51	F	88.2	Confident	82.1	Confident	65 Å²	65	63.3 Å²	63.3	29%	0.285	34%	0.342	S	S	.	.			trans	-81.8	128.7	175.4	-177.7	-101.9	0	0	0	110.1	A62	F51-A62 WeakPolarHBondContact O-CB 3.35Å; F51-A62 PolarHBondContact O-N 3.42Å
52	Y	84.7	Confident	81.6	Confident	16 Å²	16	63.2 Å²	63.2	6%	0.063	34%	0.344	C	S	.	.			trans	-130.9	137.1	172.5	177.8	-81.5	0	0	0	109	D54 A62 V64 F96	Y52-D54 HydrophobicContact CE1-CB 4.19Å; Y52-D54 PolarHBondContact OH-OD1 2.95Å; Y52-A62 VanDerWaalsContact CD2-O 3.28Å; Y52-A62 WeakPolarHBondContact CD2-O 3.38Å; Y52-V64 HydrophobicContact CD2-CG2 4.43Å; Y52-V64 HydrophobicContact CE2-CG2 3.51Å; Y52-F96 HydrophobicContact CD1-CB 4.1Å; Y52-F96 HydrophobicContact CD1-CD1 4.15Å; Y52-F96 AromaticContact CD1-CD2 3.42Å; Y52-F96 HydrophobicContact CD1-CD2 3.42Å; Y52-F96 VanDerWaalsContact CD1-CD2 3.42Å; Y52-F96 HydrophobicContact CD1-CE1 4.46Å; Y52-F96 AromaticContact CD1-CE2 3.79Å; Y52-F96 HydrophobicContact CD1-CE2 3.79Å; Y52-F96 AromaticContact CD1-CG 3.6Å; Y52-F96 HydrophobicContact CD1-CG 3.6Å; Y52-F96 HydrophobicContact CD1-CZ 4.29Å; Y52-F96 AromaticContact CD2-CD2 3.83Å; Y52-F96 HydrophobicContact CD2-CD2 3.83Å; Y52-F96 AromaticContact CD2-CE2 3.81Å; Y52-F96 HydrophobicContact CD2-CE2 3.81Å; Y52-F96 HydrophobicContact CE1-CB 3.45Å; Y52-F96 VanDerWaalsContact CE1-CB 3.45Å; Y52-F96 HydrophobicContact CE1-CD1 4.36Å; Y52-F96 AromaticContact CE1-CD2 3.33Å; Y52-F96 HydrophobicContact CE1-CD2 3.33Å; Y52-F96 HydrophobicContact CE1-CE2 4.15Å; Y52-F96 AromaticContact CE1-CG 3.44Å; Y52-F96 HydrophobicContact CE1-CG 3.44Å; Y52-F96 VanDerWaalsContact CE1-CG 3.44Å; Y52-F96 AromaticContact CE2-CD2 3.72Å; Y52-F96 HydrophobicContact CE2-CD2 3.72Å; Y52-F96 HydrophobicContact CE2-CE2 4.13Å; Y52-F96 AromaticContact CG-CD2 3.69Å; Y52-F96 HydrophobicContact CG-CD2 3.69Å; Y52-F96 AromaticContact CG-CE2 3.63Å; Y52-F96 HydrophobicContact CG-CE2 3.63Å; Y52-F96 HydrophobicContact CG-CG 4.31Å; Y52-F96 HydrophobicContact CG-CZ 4.21Å; Y52-F96 AromaticContact CZ-CD2 3.47Å; Y52-F96 VanDerWaalsContact CZ-CD2 3.47Å; Y52-F96 AromaticContact CZ-CG 3.99Å
53	S	77.9	Confident	81.3	Confident	9 Å²	9	63 Å²	63	6%	0.063	33%	0.333	C	S	.	.			trans	-134.9	130.7	172.7	178.3	0	0	0	0	110.5	E24 I55 R56 S61	E24-S53 VanDerWaalsContact OE1-CB 3.24Å; E24-S53 WeakPolarHBondContact OE1-CB 3.37Å; E24-S53 PolarHBondContact OE1-OG 3.34Å; S53-I55 PolarHBondContact OG-N 2.94Å; S53-R56 WeakPolarHBondContact OG-CB 3.41Å; S53-R56 PolarHBondContact OG-N 3.36Å; S53-S61 PolarHBondContact N-OG 2.92Å
54	D	67.8	Low	80.9	Confident	50 Å²	50	63.4 Å²	63.4	27%	0.267	34%	0.336	S	S	.	.	S	Bend	trans	-81.5	-15.7	174	-119	3.2	0	0	0	112.5	Y52	Y52-D54 HydrophobicContact CE1-CB 4.19Å; Y52-D54 PolarHBondContact OH-OD1 2.95Å
55	I	64	Low	80.9	Confident	88 Å²	88	66.4 Å²	66.4	45%	0.451	35%	0.351	S	S	.	.	S	Bend	trans	-112.8	-34.5	-169.3	-62.6	168	0	0	0	111.6	S53 R83 T85	S53-I55 PolarHBondContact OG-N 2.94Å; I55-R83 HydrophobicContact CD1-CB 3.52Å; I55-R83 HydrophobicContact CD1-CG 4.08Å; I55-T85 HydrophobicContact CD1-CG2 4.19Å; I55-T85 HydrophobicContact CG1-CG2 3.93Å
56	R	58.4	Low	80.8	Confident	165 Å²	165	70 Å²	70	62%	0.623	37%	0.37	S	S	*	.			trans	-95.5	109.8	178.6	-64.4	-179	172.6	-171.8	-3.1	107.5	S53 S58	S53-R56 WeakPolarHBondContact OG-CB 3.41Å; S53-R56 PolarHBondContact OG-N 3.36Å; R56-S58 PolarHBondContact O-N 3.24Å
57	E	56.7	Low	80.8	Confident	204 Å²	204	63.9 Å²	63.9	95%	0.953	34%	0.344	S	S	*	.			trans	-61.3	74.9	152.2	-69.7	-178.2	-176.7	0	0	107.9
58	S	61.3	Low	80.7	Confident	42 Å²	42	62.6 Å²	62.6	29%	0.294	34%	0.338	S	S	.	.			trans	-96.6	128.9	171.8	179.2	0	0	0	0	106.2	R56 A60 S61	R56-S58 PolarHBondContact O-N 3.24Å; S58-A60 PolarHBondContact O-N 3.02Å; S58-A60 PolarHBondContact OG-N 3.12Å; S58-S61 WeakPolarHBondContact O-CB 3.34Å; S58-S61 PolarHBondContact O-N 3.28Å
59	P	59.8	Low	80.7	Confident	144 Å²	144	65 Å²	65	94%	0.935	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-18.4	169.5	-22.9	32	0	0	0	113.1
60	A	72.2	Confident	80.8	Confident	73 Å²	73	60.8 Å²	60.8	60%	0.603	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.3	175.5	0	0	0	0	0	114.2	S58 A62	S58-A60 PolarHBondContact O-N 3.02Å; S58-A60 PolarHBondContact OG-N 3.12Å; A60-A62 PolarHBondContact O-N 3.39Å
61	S	81.6	Confident	81	Confident	30 Å²	30	59.9 Å²	59.9	21%	0.21	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-76.9	119.9	173	-172.7	0	0	0	0	109	S53 S58	S53-S61 PolarHBondContact N-OG 2.92Å; S58-S61 WeakPolarHBondContact O-CB 3.34Å; S58-S61 PolarHBondContact O-N 3.28Å
62	A	86.1	Confident	81.4	Confident	23 Å²	23	63.2 Å²	63.2	19%	0.19	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-65.9	159.7	171.4	0	0	0	0	0	110.7	I50 F51 Y52 A60 D66	I50-A62 HydrophobicContact CG2-CB 3.36Å; F51-A62 WeakPolarHBondContact O-CB 3.35Å; F51-A62 PolarHBondContact O-N 3.42Å; Y52-A62 VanDerWaalsContact CD2-O 3.28Å; Y52-A62 WeakPolarHBondContact CD2-O 3.38Å; A60-A62 PolarHBondContact O-N 3.39Å; A62-D66 HydrophobicContact CB-CB 3.96Å
63	S	88.2	Confident	82	Confident	51 Å²	51	69.2 Å²	69.2	36%	0.357	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-73.6	163.4	169.3	73.3	0	0	0	0	110.8	D65 D66 V67	S63-D65 PolarHBondContact O-N 2.91Å; S63-D65 PolarHBondContact OG-N 2.85Å; S63-D66 VanDerWaalsContact CB-OD2 3.31Å; S63-D66 WeakPolarHBondContact CB-OD2 3.49Å; S63-D66 PolarHBondContact N-OD2 3.06Å; S63-D66 PolarHBondContact O-N 2.89Å; S63-D66 PolarHBondContact OG-N 3.31Å; S63-D66 PolarHBondContact OG-OD2 2.98Å; S63-V67 PolarHBondContact O-N 2.61Å
64	V	88.8	Confident	82.8	Confident	16 Å²	16	70.5 Å²	70.5	10%	0.097	36%	0.364	C	S	.	.	H	α-helix	trans	-58.8	-34.9	171.2	-176.6	0	0	0	0	110.8	Y52 V67 V68 F96 K99 K103	Y52-V64 HydrophobicContact CD2-CG2 4.43Å; Y52-V64 HydrophobicContact CE2-CG2 3.51Å; V64-V67 PolarHBondContact O-N 2.96Å; V64-V68 HydrophobicContact CG1-CG2 4.31Å; V64-V68 VanDerWaalsContact O-CG2 3.23Å; V64-V68 WeakPolarHBondContact O-CG2 3.32Å; V64-V68 PolarHBondContact O-N 2.84Å; V64-F96 HydrophobicContact CG2-CD2 4.15Å; V64-K99 HydrophobicContact CG1-CB 3.9Å; V64-K99 HydrophobicContact CG2-CD 4Å; V64-K103 HydrophobicContact CG1-CD 4.24Å
65	D	92.9	Very high	84.2	Confident	86 Å²	86	69 Å²	69	46%	0.46	36%	0.361	S	S	.	.	H	α-helix	trans	-69.7	-38	-179.7	-76.5	-47.6	0	0	0	112.6	S63 V67 V68 E69 K103	S63-D65 PolarHBondContact O-N 2.91Å; S63-D65 PolarHBondContact OG-N 2.85Å; D65-V67 VanDerWaalsContact C-N 3.31Å; D65-V67 PolarHBondContact O-N 3.35Å; D65-V68 PolarHBondContact O-N 2.98Å; D65-E69 WeakPolarHBondContact O-CB 3.35Å; D65-E69 PolarHBondContact O-N 3.32Å; D65-K103 IonicContact OD1-NZ 2.94Å; D65-K103 PolarHBondContact OD1-NZ 3.47Å; D65-K103 IonicContact OD2-NZ 2.59Å; D65-K103 PolarHBondContact OD2-NZ 2.73Å; D65-K103 VanDerWaalsContact OD2-NZ 3.1Å
66	D	94.2	Very high	85.8	Confident	90 Å²	90	65 Å²	65	48%	0.481	34%	0.341	S	S	.	.	H	α-helix	trans	-61.8	-41.6	173.7	-60.6	-46.2	0	0	0	111.4	A62 S63 S70	A62-D66 HydrophobicContact CB-CB 3.96Å; S63-D66 VanDerWaalsContact CB-OD2 3.31Å; S63-D66 WeakPolarHBondContact CB-OD2 3.49Å; S63-D66 PolarHBondContact N-OD2 3.06Å; S63-D66 PolarHBondContact O-N 2.89Å; S63-D66 PolarHBondContact OG-N 3.31Å; S63-D66 PolarHBondContact OG-OD2 2.98Å; D66-S70 PolarHBondContact O-N 3.4Å; D66-S70 VanDerWaalsContact O-N 3.12Å
67	V	94	Very high	87.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-49.7	175.1	179	0	0	0	0	110.1	I21 I50 S63 V64 D65 E69 S70 V71 F96 L100	I21-V67 HydrophobicContact CD1-CG1 3.48Å; I21-V67 VanDerWaalsContact CD1-CG1 3.48Å; I21-V67 HydrophobicContact CG1-CG1 3.98Å; I50-V67 HydrophobicContact CB-CG2 4.42Å; I50-V67 HydrophobicContact CG2-CG2 3.57Å; S63-V67 PolarHBondContact O-N 2.61Å; V64-V67 PolarHBondContact O-N 2.96Å; D65-V67 VanDerWaalsContact C-N 3.31Å; D65-V67 PolarHBondContact O-N 3.35Å; V67-E69 VanDerWaalsContact C-N 3.3Å; V67-E69 PolarHBondContact O-N 3.46Å; V67-S70 PolarHBondContact O-N 2.95Å; V67-V71 HydrophobicContact CG1-CG2 4.33Å; V67-V71 WeakPolarHBondContact O-CG2 3.5Å; V67-V71 PolarHBondContact O-N 3.48Å; V67-F96 HydrophobicContact CG1-CE2 4.43Å; V67-F96 HydrophobicContact CG1-CZ 4.14Å; V67-F96 HydrophobicContact CG2-CE2 4.29Å; V67-F96 HydrophobicContact CG2-CZ 4.48Å; V67-L100 HydrophobicContact CG1-CD1 3.93Å
68	V	95.6	Very high	89.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.266	C	S	.	.	H	α-helix	trans	-57.6	-44.4	179.7	166.1	0	0	0	0	111.1	V64 D65 V71 R72 L100 K103 L104	V64-V68 HydrophobicContact CG1-CG2 4.31Å; V64-V68 VanDerWaalsContact O-CG2 3.23Å; V64-V68 WeakPolarHBondContact O-CG2 3.32Å; V64-V68 PolarHBondContact O-N 2.84Å; D65-V68 PolarHBondContact O-N 2.98Å; V68-V71 PolarHBondContact O-N 3.4Å; V68-R72 HydrophobicContact CG1-CG 4.46Å; V68-R72 VanDerWaalsContact CG1-CZ 3.49Å; V68-R72 WeakPolarHBondContact O-CB 3.23Å; V68-R72 WeakPolarHBondContact O-CG 3.34Å; V68-R72 PolarHBondContact O-N 2.87Å; V68-L100 HydrophobicContact CG2-CD1 3.88Å; V68-K103 HydrophobicContact CG1-CB 4.19Å; V68-K103 HydrophobicContact CG2-CB 3.72Å; V68-K103 HydrophobicContact CG2-CD 3.96Å; V68-K103 HydrophobicContact CG2-CG 4.47Å; V68-L104 HydrophobicContact CB-CD2 4.45Å; V68-L104 HydrophobicContact CG1-CD2 3.83Å; V68-L104 HydrophobicContact CG1-CG 4.34Å; V68-L104 HydrophobicContact CG2-CG 4.32Å
69	E	96.4	Very high	91.2	Very high	103 Å²	103	45.8 Å²	45.8	48%	0.481	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-44	179.9	-177.8	55.5	-151.7	0	0	111.9	D65 V67 R72 R73	D65-E69 WeakPolarHBondContact O-CB 3.35Å; D65-E69 PolarHBondContact O-N 3.32Å; V67-E69 VanDerWaalsContact C-N 3.3Å; V67-E69 PolarHBondContact O-N 3.46Å; E69-R72 PolarHBondContact O-N 3.17Å; E69-R73 WeakPolarHBondContact O-CB 3.11Å; E69-R73 PolarHBondContact O-N 3.25Å
70	S	96.3	Very high	92.7	Very high	1 Å²	1	39 Å²	39	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-45.5	175.5	-176.4	0	0	0	0	112.6	T19 E48 I50 D66 V67 R72 R73 N74	T19-S70 WeakPolarHBondContact CG2-OG 3.31Å; T19-S70 VanDerWaalsContact OG1-C 3.3Å; T19-S70 PolarHBondContact OG1-O 3.41Å; T19-S70 PolarHBondContact OG1-OG 2.88Å; E48-S70 WeakPolarHBondContact OE1-CB 3.38Å; E48-S70 PolarHBondContact OE1-OG 3.44Å; E48-S70 PolarHBondContact OE2-OG 3.29Å; I50-S70 VanDerWaalsContact CD1-OG 3.31Å; I50-S70 WeakPolarHBondContact CD1-OG 3.13Å; D66-S70 PolarHBondContact O-N 3.4Å; D66-S70 VanDerWaalsContact O-N 3.12Å; V67-S70 PolarHBondContact O-N 2.95Å; S70-R72 VanDerWaalsContact C-N 3.34Å; S70-R72 PolarHBondContact O-N 2.88Å; S70-R73 PolarHBondContact O-N 3.21Å; S70-N74 WeakPolarHBondContact O-CB 3.48Å; S70-N74 PolarHBondContact O-N 3.16Å; S70-N74 PolarHBondContact O-ND2 3.44Å
71	V	96.8	Very high	93.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.1	-39.6	178.6	179.5	0	0	0	0	111.3	T19 I21 V67 V68 G75 A77 L104 C268 V270	T19-V71 HydrophobicContact CG2-CG2 3.87Å; I21-V71 HydrophobicContact CD1-CG2 4.34Å; V67-V71 HydrophobicContact CG1-CG2 4.33Å; V67-V71 WeakPolarHBondContact O-CG2 3.5Å; V67-V71 PolarHBondContact O-N 3.48Å; V68-V71 PolarHBondContact O-N 3.4Å; V71-G75 WeakPolarHBondContact O-CA 3.27Å; V71-G75 PolarHBondContact O-N 3.39Å; V71-A77 HydrophobicContact CB-CB 4.49Å; V71-A77 HydrophobicContact CG1-CB 4.03Å; V71-A77 HydrophobicContact CG2-CB 3.72Å; V71-L104 HydrophobicContact CB-CD1 3.92Å; V71-L104 HydrophobicContact CB-CD2 4.3Å; V71-L104 HydrophobicContact CG1-CD1 3.61Å; V71-L104 HydrophobicContact CG1-CD2 4.27Å; V71-L104 HydrophobicContact CG2-CD1 4.38Å; V71-C268 HydrophobicContact CG1-CB 4.15Å; V71-V270 HydrophobicContact CG1-CG2 4.11Å
72	R	96	Very high	92.9	Very high	136 Å²	136	36.2 Å²	36.2	51%	0.513	18%	0.184	S	C	.	.	H	α-helix	trans	-64	-45.5	174.6	-76	-179.3	-179.1	153.3	-2.9	112	V68 E69 S70 N74 G75 K103 L104	V68-R72 HydrophobicContact CG1-CG 4.46Å; V68-R72 VanDerWaalsContact CG1-CZ 3.49Å; V68-R72 WeakPolarHBondContact O-CB 3.23Å; V68-R72 WeakPolarHBondContact O-CG 3.34Å; V68-R72 PolarHBondContact O-N 2.87Å; E69-R72 PolarHBondContact O-N 3.17Å; S70-R72 VanDerWaalsContact C-N 3.34Å; S70-R72 PolarHBondContact O-N 2.88Å; R72-N74 PolarHBondContact O-N 2.91Å; R72-G75 PolarHBondContact O-N 3.36Å; R72-K103 PolarHBondContact NH2-O 2.84Å; R72-L104 HydrophobicContact CG-CD2 3.55Å
73	R	96.4	Very high	92	Very high	142 Å²	142	38.6 Å²	38.6	54%	0.536	19%	0.188	S	C	.	.	H	α-helix	trans	-62.5	-42.4	-179.8	-178.7	177.5	62.8	-123.9	1.6	112.2	E48 E69 S70	E48-R73 IonicContact OE1-CZ 2.66Å; E48-R73 IonicContact OE1-NH2 3.68Å; E48-R73 PolarHBondContact OE1-NH2 2.95Å; E48-R73 IonicContact OE2-CZ 3.81Å; E48-R73 IonicContact OE2-NH2 2.69Å; E48-R73 PolarHBondContact OE2-NH2 2.85Å; E69-R73 WeakPolarHBondContact O-CB 3.11Å; E69-R73 PolarHBondContact O-N 3.25Å; S70-R73 PolarHBondContact O-N 3.21Å
74	N	96	Very high	90.7	Very high	35 Å²	35	40.9 Å²	40.9	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-88.2	-17.5	-176.6	-64	-26	0	0	0	112.7	T19 E48 S70 R72 V76	T19-N74 PolarHBondContact OG1-ND2 2.68Å; E48-N74 PolarHBondContact OE2-ND2 3.06Å; S70-N74 WeakPolarHBondContact O-CB 3.48Å; S70-N74 PolarHBondContact O-N 3.16Å; S70-N74 PolarHBondContact O-ND2 3.44Å; R72-N74 PolarHBondContact O-N 2.91Å; N74-V76 PolarHBondContact O-N 2.83Å
75	G	96.6	Very high	89.2	Confident	20 Å²	20	42.7 Å²	42.7	21%	0.206	21%	0.205	C	C	.	.	S	Bend	trans	70.9	-12.1	-177.2	0	0	0	0	0	114.6	V71 R72 C268 V269	V71-G75 WeakPolarHBondContact O-CA 3.27Å; V71-G75 PolarHBondContact O-N 3.39Å; R72-G75 PolarHBondContact O-N 3.36Å; G75-C268 CarbonylContact O-C 3.54Å; G75-C268 WeakPolarHBondContact O-CA 3.34Å; G75-C268 VanDerWaalsContact O-CB 3.29Å; G75-C268 WeakPolarHBondContact O-CB 3.21Å; G75-V269 PolarHBondContact O-N 3.22Å
76	V	97.8	Very high	87.4	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141	-175.8	57.2	0	0	0	0	111.5	V18 T19 N74 V269 F271 M300 L304	V18-V76 HydrophobicContact CB-CG1 4.36Å; V18-V76 HydrophobicContact CG2-CG1 3.63Å; V18-V76 HydrophobicContact CG2-CG2 4.34Å; T19-V76 PolarHBondContact N-O 3.36Å; T19-V76 VanDerWaalsContact N-O 3.09Å; N74-V76 PolarHBondContact O-N 2.83Å; V76-V269 WeakPolarHBondContact CA-O 3.36Å; V76-F271 HydrophobicContact CG2-CD2 4.08Å; V76-F271 HydrophobicContact CG2-CE2 3.97Å; V76-M300 HydrophobicContact CG2-CG 3.68Å; V76-M300 HydrophobicContact CG2-SD 4.03Å; V76-L304 HydrophobicContact CB-CD2 4.44Å; V76-L304 HydrophobicContact CG1-CD2 3.68Å
77	A	98	Very high	85.4	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	150.5	175.8	0	0	0	0	0	113	T19 V71 V269 V270 F271	T19-A77 CarbonylContact O-C 3.6Å; T19-A77 WeakPolarHBondContact O-CA 3.39Å; T19-A77 WeakPolarHBondContact O-CB 3.12Å; V71-A77 HydrophobicContact CB-CB 4.49Å; V71-A77 HydrophobicContact CG1-CB 4.03Å; V71-A77 HydrophobicContact CG2-CB 3.72Å; A77-V269 PolarHBondContact N-O 3.13Å; A77-V270 HydrophobicContact CB-CG1 4.28Å; A77-V270 HydrophobicContact CB-CG2 4.09Å; A77-V270 CarbonylContact O-C 3.56Å; A77-V270 WeakPolarHBondContact O-CA 3.14Å; A77-F271 PolarHBondContact O-N 2.86Å
78	L	97.8	Very high	83.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	118.5	167	-177.6	67.8	0	0	0	108.6	V18 T19 A20 I21 I31 V34 F47 F271 V293 C296 M300	V18-L78 HydrophobicContact CG1-CB 4.29Å; T19-L78 PolarHBondContact O-N 3.46Å; A20-L78 WeakPolarHBondContact CA-O 3.3Å; I21-L78 PolarHBondContact N-O 3.1Å; I31-L78 HydrophobicContact CD1-CD2 3.71Å; I31-L78 HydrophobicContact CD1-CG 3.68Å; V34-L78 HydrophobicContact CB-CD2 4.31Å; V34-L78 HydrophobicContact CG1-CD2 3.77Å; V34-L78 HydrophobicContact CG2-CD2 4.23Å; F47-L78 HydrophobicContact CE1-CB 4.5Å; F47-L78 HydrophobicContact CE1-CD2 4.11Å; F47-L78 HydrophobicContact CZ-CD2 4.34Å; L78-F271 HydrophobicContact CD1-CB 3.98Å; L78-V293 HydrophobicContact CD1-CG2 4.24Å; L78-C296 HydrophobicContact CD1-CB 4.04Å; L78-M300 HydrophobicContact CB-SD 4Å
79	K	94.6	Very high	81.1	Confident	7 Å²	7	64.4 Å²	64.4	3%	0.03	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	124.3	-172.1	177.3	-177.3	160.4	-63.6	0	111.4	I21 F96 L100 V270 F271 E272	I21-K79 HydrophobicContact CB-CB 4.22Å; I21-K79 HydrophobicContact CB-CG 4.1Å; I21-K79 HydrophobicContact CD1-CB 4.26Å; I21-K79 HydrophobicContact CD1-CD 4.4Å; I21-K79 HydrophobicContact CD1-CG 4.3Å; I21-K79 HydrophobicContact CG2-CG 4.29Å; K79-F96 HydrophobicContact CD-CE1 4.36Å; K79-L100 HydrophobicContact CD-CD2 3.97Å; K79-V270 HydrophobicContact CB-CG1 3.74Å; K79-V270 HydrophobicContact CD-CG1 4.28Å; K79-F271 PolarHBondContact N-O 3.31Å; K79-E272 HydrophobicContact CB-CB 4.34Å; K79-E272 IonicContact NZ-OE2 3.63Å; K79-E272 PolarHBondContact NZ-OE2 3.36Å; K79-E272 WeakPolarHBondContact O-CB 3.4Å
80	G	90.2	Very high	79	Confident	3 Å²	3	66.5 Å²	66.5	3%	0.031	31%	0.306	C	S	.	.			trans	-77.5	175.1	168.5	0	0	0	0	0	113.1	I21	I21-G80 PolarHBondContact O-N 3.37Å
81	T	82.4	Confident	77	Confident	27 Å²	27	69.2 Å²	69.2	17%	0.166	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-76.1	132.8	178.2	-52	0	0	0	0	110.8	E24	E24-T81 PolarHBondContact N-O 2.85Å
82	N	75.3	Confident	75.2	Confident	17 Å²	17	73.5 Å²	73.5	9%	0.091	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-100.6	150.3	170.9	-74.8	-55.7	0	0	0	109.9	G23 F96	G23-N82 WeakPolarHBondContact CA-OD1 3.36Å; N82-F96 WeakPolarHBondContact ND2-CD1 3.25Å; N82-F96 WeakPolarHBondContact ND2-CE1 2.92Å
83	R	67	Low	73.5	Confident	73 Å²	73	71.3 Å²	71.3	28%	0.275	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60.8	139.3	164.7	-93.5	-178.3	-98.5	-114.8	-0.4	109.8	E24 I55 H280	E24-R83 WeakPolarHBondContact OE2-CB 2.95Å; E24-R83 IonicContact OE2-CZ 3.93Å; E24-R83 IonicContact OE2-NE 3.72Å; E24-R83 PolarHBondContact OE2-NE 3.21Å; E24-R83 IonicContact OE2-NH2 2.7Å; I55-R83 HydrophobicContact CD1-CB 3.52Å; I55-R83 HydrophobicContact CD1-CG 4.08Å; R83-H280 WeakPolarHBondContact CG-CE1 3.38Å
84	M	62.7	Low	72	Confident	98 Å²	98	66.9 Å²	66.9	48%	0.483	34%	0.337	S	S	.	.			trans	-108.9	130.4	166.5	-68.8	-173.4	60	0	0	108
85	T	55.5	Low	71.1	Confident	55 Å²	55	65.8 Å²	65.8	34%	0.337	33%	0.332	S	S	.	.			trans	-82.9	128.5	167.5	32.6	0	0	0	0	108.6	I55 V87 N88	I55-T85 HydrophobicContact CD1-CG2 4.19Å; I55-T85 HydrophobicContact CG1-CG2 3.93Å; T85-V87 PolarHBondContact O-N 3.16Å; T85-N88 WeakPolarHBondContact CB-OD1 3.47Å; T85-N88 PolarHBondContact OG1-OD1 2.93Å
86	Y	55.5	Low	70.5	Confident	232 Å²	232	64.9 Å²	64.9	91%	0.91	32%	0.323	S	S	*	.	S	Bend	trans	-72	-19.4	177.7	-64.8	-79.1	0	0	0	112.8
87	V	52.3	Low	69.8	Low	119 Å²	119	65.1 Å²	65.1	72%	0.721	33%	0.325	S	S	*	.	S	Bend	trans	-140.3	110.9	177.9	-166.2	0	0	0	0	105.8	T85 R89	T85-V87 PolarHBondContact O-N 3.16Å; V87-R89 PolarHBondContact O-N 2.94Å
88	N	51.1	Low	69.2	Low	38 Å²	38	66.5 Å²	66.5	20%	0.203	33%	0.331	C	S	.	.			trans	-74.4	122.8	169.6	-78.2	-5.5	0	0	0	107.4	T85 D90 G91 E92	T85-N88 WeakPolarHBondContact CB-OD1 3.47Å; T85-N88 PolarHBondContact OG1-OD1 2.93Å; N88-D90 PolarHBondContact O-N 2.92Å; N88-D90 VanDerWaalsContact O-N 3.13Å; N88-G91 PolarHBondContact O-N 2.49Å; N88-E92 HydrophobicContact CB-CB 4.48Å; N88-E92 WeakPolarHBondContact CB-O 3.2Å; N88-E92 VanDerWaalsContact CG-O 3.24Å; N88-E92 PolarHBondContact ND2-O 2.84Å
89	R	48.4	Very low	68.8	Low	243 Å²	243	68.2 Å²	68.2	92%	0.917	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26	-177.8	-71.8	-176.9	-178.4	178.1	0.9	112.1	V87	V87-R89 PolarHBondContact O-N 2.94Å
90	D	52.4	Low	68.6	Low	148 Å²	148	68 Å²	68	79%	0.791	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	10.1	-173	-48.6	-46.1	0	0	0	113.1	N88 E92	N88-D90 PolarHBondContact O-N 2.92Å; N88-D90 VanDerWaalsContact O-N 3.13Å; D90-E92 PolarHBondContact O-N 3.44Å
91	G	54.3	Low	68.7	Low	58 Å²	58	68.6 Å²	68.6	60%	0.598	34%	0.339	S	S	*	.			trans	71.7	2.5	-177.6	0	0	0	0	0	114.4	N88 L93	N88-G91 PolarHBondContact O-N 2.49Å; G91-L93 PolarHBondContact O-N 3.47Å
92	E	58.6	Low	69.1	Low	89 Å²	89	74.3 Å²	74.3	42%	0.416	36%	0.362	S	S	.	.			trans	-70.6	111.9	179	-165	175.5	-154.8	0	0	110.3	N88 D90 H94 K99	N88-E92 HydrophobicContact CB-CB 4.48Å; N88-E92 WeakPolarHBondContact CB-O 3.2Å; N88-E92 VanDerWaalsContact CG-O 3.24Å; N88-E92 PolarHBondContact ND2-O 2.84Å; D90-E92 PolarHBondContact O-N 3.44Å; E92-H94 VanDerWaalsContact C-N 3.32Å; E92-H94 PolarHBondContact O-N 3.49Å; E92-K99 WeakPolarHBondContact OE1-CE 3.21Å; E92-K99 IonicContact OE1-NZ 2.75Å; E92-K99 PolarHBondContact OE1-NZ 3.48Å; E92-K99 WeakPolarHBondContact OE2-CE 3.32Å; E92-K99 IonicContact OE2-NZ 3.31Å; E92-K99 PolarHBondContact OE2-NZ 3.39Å
93	L	59.6	Low	70	Confident	90 Å²	90	77.6 Å²	77.6	47%	0.471	38%	0.375	S	S	.	.			trans	-81.1	-13.2	-174.6	-60.2	172.4	0	0	0	113.7	G91 A141 E143	G91-L93 PolarHBondContact O-N 3.47Å; L93-A141 HydrophobicContact CB-CB 3.62Å; L93-A141 HydrophobicContact CD1-CB 4.32Å; L93-A141 VanDerWaalsContact CD1-O 3.27Å; L93-A141 WeakPolarHBondContact CD1-O 3.4Å; L93-E143 HydrophobicContact CD1-CB 4.34Å
94	H	65.2	Low	71.4	Confident	49 Å²	49	74.7 Å²	74.7	23%	0.227	37%	0.365	C	S	.	.			trans	-92.3	116.2	-177.3	-67	-60.9	0	0	0	112.1	E92 M98 K99 S140	E92-H94 VanDerWaalsContact C-N 3.32Å; E92-H94 PolarHBondContact O-N 3.49Å; H94-M98 HydrophobicContact CB-CB 4.33Å; H94-K99 HydrophobicContact CB-CG 3.93Å; H94-K99 WeakPolarHBondContact O-CE 3.08Å; H94-S140 PolarHBondContact CE1-O 3.26Å
95	S	77.9	Confident	72.9	Confident	12 Å²	12	72.6 Å²	72.6	8%	0.084	36%	0.356	C	S	.	.			trans	-65.6	160	168.2	66.1	0	0	0	0	112.4	S97 M98 K99	S95-S97 PolarHBondContact O-N 2.98Å; S95-S97 VanDerWaalsContact O-N 3.15Å; S95-M98 WeakPolarHBondContact O-CA 3.32Å; S95-M98 WeakPolarHBondContact O-CB 3.16Å; S95-M98 PolarHBondContact O-N 3.39Å; S95-M98 VanDerWaalsContact OG-CG 3.32Å; S95-M98 WeakPolarHBondContact OG-CG 3.24Å; S95-M98 PolarHBondContact OG-N 3.01Å; S95-M98 PolarHBondContact OG-SD 3.37Å; S95-M98 VanDerWaalsContact OG-SD 3.36Å; S95-K99 PolarHBondContact O-N 3.36Å
96	F	82.9	Confident	74.9	Confident	2 Å²	2	70 Å²	70	1%	0.009	34%	0.34	C	S	.	.	H	α-helix	trans	-45	-46.7	169.8	168.9	-105.8	0	0	0	113.3	I21 Y52 V64 V67 K79 N82 M98 K99 L100	I21-F96 HydrophobicContact CG2-CE1 4.33Å; I21-F96 HydrophobicContact CG2-CZ 4.23Å; Y52-F96 HydrophobicContact CD1-CB 4.1Å; Y52-F96 HydrophobicContact CD1-CD1 4.15Å; Y52-F96 AromaticContact CD1-CD2 3.42Å; Y52-F96 HydrophobicContact CD1-CD2 3.42Å; Y52-F96 VanDerWaalsContact CD1-CD2 3.42Å; Y52-F96 HydrophobicContact CD1-CE1 4.46Å; Y52-F96 AromaticContact CD1-CE2 3.79Å; Y52-F96 HydrophobicContact CD1-CE2 3.79Å; Y52-F96 AromaticContact CD1-CG 3.6Å; Y52-F96 HydrophobicContact CD1-CG 3.6Å; Y52-F96 HydrophobicContact CD1-CZ 4.29Å; Y52-F96 AromaticContact CD2-CD2 3.83Å; Y52-F96 HydrophobicContact CD2-CD2 3.83Å; Y52-F96 AromaticContact CD2-CE2 3.81Å; Y52-F96 HydrophobicContact CD2-CE2 3.81Å; Y52-F96 HydrophobicContact CE1-CB 3.45Å; Y52-F96 VanDerWaalsContact CE1-CB 3.45Å; Y52-F96 HydrophobicContact CE1-CD1 4.36Å; Y52-F96 AromaticContact CE1-CD2 3.33Å; Y52-F96 HydrophobicContact CE1-CD2 3.33Å; Y52-F96 HydrophobicContact CE1-CE2 4.15Å; Y52-F96 AromaticContact CE1-CG 3.44Å; Y52-F96 HydrophobicContact CE1-CG 3.44Å; Y52-F96 VanDerWaalsContact CE1-CG 3.44Å; Y52-F96 AromaticContact CE2-CD2 3.72Å; Y52-F96 HydrophobicContact CE2-CD2 3.72Å; Y52-F96 HydrophobicContact CE2-CE2 4.13Å; Y52-F96 AromaticContact CG-CD2 3.69Å; Y52-F96 HydrophobicContact CG-CD2 3.69Å; Y52-F96 AromaticContact CG-CE2 3.63Å; Y52-F96 HydrophobicContact CG-CE2 3.63Å; Y52-F96 HydrophobicContact CG-CG 4.31Å; Y52-F96 HydrophobicContact CG-CZ 4.21Å; Y52-F96 AromaticContact CZ-CD2 3.47Å; Y52-F96 VanDerWaalsContact CZ-CD2 3.47Å; Y52-F96 AromaticContact CZ-CG 3.99Å; V64-F96 HydrophobicContact CG2-CD2 4.15Å; V67-F96 HydrophobicContact CG1-CE2 4.43Å; V67-F96 HydrophobicContact CG1-CZ 4.14Å; V67-F96 HydrophobicContact CG2-CE2 4.29Å; V67-F96 HydrophobicContact CG2-CZ 4.48Å; K79-F96 HydrophobicContact CD-CE1 4.36Å; N82-F96 WeakPolarHBondContact ND2-CD1 3.25Å; N82-F96 WeakPolarHBondContact ND2-CE1 2.92Å; F96-M98 VanDerWaalsContact C-N 3.26Å; F96-M98 PolarHBondContact O-N 2.84Å; F96-K99 PolarHBondContact O-N 2.99Å; F96-L100 HydrophobicContact CE1-CD2 4.13Å; F96-L100 HydrophobicContact CZ-CD2 4.01Å; F96-L100 WeakPolarHBondContact O-CB 3.45Å; F96-L100 PolarHBondContact O-N 3.27Å
97	S	83.9	Confident	76.9	Confident	8 Å²	8	59.8 Å²	59.8	6%	0.056	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-32.4	179.9	-65.7	0	0	0	0	112.3	S95 R101 R276	S95-S97 PolarHBondContact O-N 2.98Å; S95-S97 VanDerWaalsContact O-N 3.15Å; S97-R101 WeakPolarHBondContact O-CB 3.34Å; S97-R101 WeakPolarHBondContact O-CG 3.25Å; S97-R101 PolarHBondContact O-N 2.95Å; S97-R101 PolarHBondContact O-NE 3.39Å; S97-R276 VanDerWaalsContact CB-NH1 3.35Å; S97-R276 PolarHBondContact OG-NH1 3.11Å
98	M	86.1	Confident	79.1	Confident	29 Å²	29	54.1 Å²	54.1	14%	0.143	27%	0.266	C	S	.	.	H	α-helix	trans	-74.2	-44	176.7	-67.1	160	76.8	0	0	110.8	H94 S95 F96 L100 R101 K102 Y139 A141	H94-M98 HydrophobicContact CB-CB 4.33Å; S95-M98 WeakPolarHBondContact O-CA 3.32Å; S95-M98 WeakPolarHBondContact O-CB 3.16Å; S95-M98 PolarHBondContact O-N 3.39Å; S95-M98 VanDerWaalsContact OG-CG 3.32Å; S95-M98 WeakPolarHBondContact OG-CG 3.24Å; S95-M98 PolarHBondContact OG-N 3.01Å; S95-M98 PolarHBondContact OG-SD 3.37Å; S95-M98 VanDerWaalsContact OG-SD 3.36Å; F96-M98 VanDerWaalsContact C-N 3.26Å; F96-M98 PolarHBondContact O-N 2.84Å; M98-L100 PolarHBondContact O-N 2.71Å; M98-R101 PolarHBondContact O-N 3.29Å; M98-K102 WeakPolarHBondContact O-CB 3.23Å; M98-K102 PolarHBondContact O-N 3.43Å; M98-Y139 HydrophobicContact CE-CD1 4.3Å; M98-Y139 WeakPolarHBondContact CE-O 3.42Å; M98-Y139 HydrophobicContact SD-CD1 4.44Å; M98-A141 HydrophobicContact CE-CB 4.17Å
99	K	88.5	Confident	81.3	Confident	36 Å²	36	52.6 Å²	52.6	16%	0.157	26%	0.258	C	S	.	.	H	α-helix	trans	-59.8	-46.6	176.2	-61.4	177.9	-170	178.5	0	111.3	V64 E92 H94 S95 F96 K102 K103	V64-K99 HydrophobicContact CG1-CB 3.9Å; V64-K99 HydrophobicContact CG2-CD 4Å; E92-K99 WeakPolarHBondContact OE1-CE 3.21Å; E92-K99 IonicContact OE1-NZ 2.75Å; E92-K99 PolarHBondContact OE1-NZ 3.48Å; E92-K99 WeakPolarHBondContact OE2-CE 3.32Å; E92-K99 IonicContact OE2-NZ 3.31Å; E92-K99 PolarHBondContact OE2-NZ 3.39Å; H94-K99 HydrophobicContact CB-CG 3.93Å; H94-K99 WeakPolarHBondContact O-CE 3.08Å; S95-K99 PolarHBondContact O-N 3.36Å; F96-K99 PolarHBondContact O-N 2.99Å; K99-K102 PolarHBondContact O-N 2.89Å; K99-K103 WeakPolarHBondContact O-CB 3.38Å; K99-K103 WeakPolarHBondContact O-CG 3.43Å; K99-K103 PolarHBondContact O-N 3.2Å
100	L	91.1	Very high	83.7	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-58.8	-50.4	177.7	-175	65.7	0	0	0	111.1	I21 V67 V68 K79 F96 M98 K102 K103 L104	I21-L100 HydrophobicContact CD1-CD2 4.12Å; V67-L100 HydrophobicContact CG1-CD1 3.93Å; V68-L100 HydrophobicContact CG2-CD1 3.88Å; K79-L100 HydrophobicContact CD-CD2 3.97Å; F96-L100 HydrophobicContact CE1-CD2 4.13Å; F96-L100 HydrophobicContact CZ-CD2 4.01Å; F96-L100 WeakPolarHBondContact O-CB 3.45Å; F96-L100 PolarHBondContact O-N 3.27Å; M98-L100 PolarHBondContact O-N 2.71Å; L100-K102 PolarHBondContact O-N 2.67Å; L100-K103 PolarHBondContact O-N 3.45Å; L100-L104 HydrophobicContact CD1-CD1 3.46Å; L100-L104 VanDerWaalsContact CD1-CD1 3.46Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 VanDerWaalsContact O-CB 3.32Å; L100-L104 WeakPolarHBondContact O-CB 3.45Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3Å
101	R	92.1	Very high	85.9	Confident	14 Å²	14	34.3 Å²	34.3	5%	0.053	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-39	180	-73.1	-179.4	-86.5	-174	5.3	113.1	S97 M98 D105 L106 R276	S97-R101 WeakPolarHBondContact O-CB 3.34Å; S97-R101 WeakPolarHBondContact O-CG 3.25Å; S97-R101 PolarHBondContact O-N 2.95Å; S97-R101 PolarHBondContact O-NE 3.39Å; M98-R101 PolarHBondContact O-N 3.29Å; R101-D105 WeakPolarHBondContact O-CA 3.29Å; R101-D105 PolarHBondContact O-N 2.94Å; R101-L106 HydrophobicContact CB-CB 4.29Å; R101-L106 HydrophobicContact CG-CB 4.13Å; R101-L106 HydrophobicContact CG-CD1 3.97Å; R101-L106 PolarHBondContact O-N 2.91Å; R101-R276 VanDerWaalsContact NH2-CZ 3.25Å
102	K	91.3	Very high	87.9	Confident	148 Å²	148	34.2 Å²	34.2	64%	0.643	16%	0.162	S	C	*	.	H	α-helix	trans	-69.3	-47.1	176.5	-172.4	174	-178.2	175.9	0	112	M98 K99 L100 L104 D105	M98-K102 WeakPolarHBondContact O-CB 3.23Å; M98-K102 PolarHBondContact O-N 3.43Å; K99-K102 PolarHBondContact O-N 2.89Å; L100-K102 PolarHBondContact O-N 2.67Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 3.22Å; K102-D105 PolarHBondContact O-N 3.13Å
103	K	93.8	Very high	89.8	Confident	86 Å²	86	30 Å²	30	37%	0.374	14%	0.142	S	C	.	.	H	α-helix	trans	-68.6	-31.6	-178.2	-74.5	-173.9	179.8	-123.3	0	112.7	V64 D65 V68 R72 K99 L100	V64-K103 HydrophobicContact CG1-CD 4.24Å; D65-K103 IonicContact OD1-NZ 2.94Å; D65-K103 PolarHBondContact OD1-NZ 3.47Å; D65-K103 IonicContact OD2-NZ 2.59Å; D65-K103 PolarHBondContact OD2-NZ 2.73Å; D65-K103 VanDerWaalsContact OD2-NZ 3.1Å; V68-K103 HydrophobicContact CG1-CB 4.19Å; V68-K103 HydrophobicContact CG2-CB 3.72Å; V68-K103 HydrophobicContact CG2-CD 3.96Å; V68-K103 HydrophobicContact CG2-CG 4.47Å; R72-K103 PolarHBondContact NH2-O 2.84Å; K99-K103 WeakPolarHBondContact O-CB 3.38Å; K99-K103 WeakPolarHBondContact O-CG 3.43Å; K99-K103 PolarHBondContact O-N 3.2Å; L100-K103 PolarHBondContact O-N 3.45Å
104	L	95.4	Very high	91.6	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.063	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.3	176.8	-68.5	175.3	0	0	0	113.8	V68 V71 R72 L100 K102 L106 V270	V68-L104 HydrophobicContact CB-CD2 4.45Å; V68-L104 HydrophobicContact CG1-CD2 3.83Å; V68-L104 HydrophobicContact CG1-CG 4.34Å; V68-L104 HydrophobicContact CG2-CG 4.32Å; V71-L104 HydrophobicContact CB-CD1 3.92Å; V71-L104 HydrophobicContact CB-CD2 4.3Å; V71-L104 HydrophobicContact CG1-CD1 3.61Å; V71-L104 HydrophobicContact CG1-CD2 4.27Å; V71-L104 HydrophobicContact CG2-CD1 4.38Å; R72-L104 HydrophobicContact CG-CD2 3.55Å; L100-L104 HydrophobicContact CD1-CD1 3.46Å; L100-L104 VanDerWaalsContact CD1-CD1 3.46Å; L100-L104 HydrophobicContact CD1-CG 4.21Å; L100-L104 HydrophobicContact CG-CD1 3.88Å; L100-L104 VanDerWaalsContact O-CB 3.32Å; L100-L104 WeakPolarHBondContact O-CB 3.45Å; L100-L104 WeakPolarHBondContact O-CG 3.35Å; L100-L104 PolarHBondContact O-N 3Å; K102-L104 VanDerWaalsContact C-N 3.33Å; K102-L104 PolarHBondContact O-N 3.22Å; L104-L106 HydrophobicContact CB-CD1 4.23Å; L104-L106 HydrophobicContact CB-CD2 4.06Å; L104-L106 HydrophobicContact CB-CG 3.73Å; L104-L106 HydrophobicContact CD1-CD1 4.12Å; L104-L106 HydrophobicContact CD1-CG 4.45Å; L104-L106 PolarHBondContact O-N 2.87Å; L104-V270 HydrophobicContact CD1-CG2 4.38Å
105	D	95.9	Very high	93.1	Very high	54 Å²	54	28 Å²	28	29%	0.289	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.8	47.2	-170.7	-169.4	34	0	0	0	112.8	R101 K102 F107 R164 G265	R101-D105 WeakPolarHBondContact O-CA 3.29Å; R101-D105 PolarHBondContact O-N 2.94Å; K102-D105 PolarHBondContact O-N 3.13Å; D105-F107 PolarHBondContact O-N 3.42Å; D105-R164 IonicContact OD1-CZ 2.6Å; D105-R164 IonicContact OD1-NH1 2.7Å; D105-R164 PolarHBondContact OD1-NH1 2.85Å; D105-R164 IonicContact OD1-NH2 2.75Å; D105-R164 PolarHBondContact OD1-NH2 2.83Å; D105-R164 IonicContact OD2-CZ 3.59Å; D105-R164 IonicContact OD2-NH1 3.45Å; D105-R164 PolarHBondContact OD2-NH1 2.93Å; D105-R164 IonicContact OD2-NH2 2.71Å; D105-G265 WeakPolarHBondContact O-CA 3.46Å
106	L	96.4	Very high	94	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	13%	0.13	C	C	.	.			trans	-72.1	81	174.3	-59.3	175.1	0	0	0	108.2	R101 L104 Q134 V264 V270	R101-L106 HydrophobicContact CB-CB 4.29Å; R101-L106 HydrophobicContact CG-CB 4.13Å; R101-L106 HydrophobicContact CG-CD1 3.97Å; R101-L106 PolarHBondContact O-N 2.91Å; L104-L106 HydrophobicContact CB-CD1 4.23Å; L104-L106 HydrophobicContact CB-CD2 4.06Å; L104-L106 HydrophobicContact CB-CG 3.73Å; L104-L106 HydrophobicContact CD1-CD1 4.12Å; L104-L106 HydrophobicContact CD1-CG 4.45Å; L104-L106 PolarHBondContact O-N 2.87Å; L106-Q134 WeakPolarHBondContact O-CB 3.21Å; L106-Q134 PolarHBondContact O-OE1 2.92Å; L106-Q134 VanDerWaalsContact O-OE1 3.04Å; L106-V264 CarbonylContact C-O 3.33Å; L106-V264 WeakPolarHBondContact CA-O 3.41Å; L106-V270 HydrophobicContact CD1-CB 4.08Å; L106-V270 HydrophobicContact CD1-CG2 3.55Å; L106-V270 HydrophobicContact CD2-CG2 4.16Å
107	F	97.1	Very high	94.6	Very high	17 Å²	17	30.9 Å²	30.9	8%	0.075	16%	0.155	C	C	.	.			trans	-78.5	-31.1	-167.5	74.9	-91.2	0	0	0	114.4	D105 Q134 T135 R164 I165 Y168 V264	D105-F107 PolarHBondContact O-N 3.42Å; F107-Q134 PolarHBondContact O-N 2.91Å; F107-T135 HydrophobicContact CB-CG2 4.27Å; F107-R164 HydrophobicContact CD2-CG 3.89Å; F107-R164 HydrophobicContact CE2-CG 3.86Å; F107-R164 HydrophobicContact CG-CG 4.44Å; F107-R164 HydrophobicContact CZ-CG 4.4Å; F107-I165 HydrophobicContact CD2-CD1 4.24Å; F107-I165 HydrophobicContact CE2-CD1 4.45Å; F107-Y168 AromaticContact CE2-CD2 3.96Å; F107-Y168 HydrophobicContact CE2-CD2 3.96Å; F107-Y168 AromaticContact CE2-CG 3.96Å; F107-Y168 HydrophobicContact CE2-CG 3.96Å; F107-Y168 AromaticContact CZ-CD2 3.68Å; F107-Y168 HydrophobicContact CZ-CD2 3.68Å; F107-Y168 HydrophobicContact CZ-CE2 4.26Å; F107-Y168 HydrophobicContact CZ-CG 4.18Å; F107-V264 WeakPolarHBondContact CD1-O 3.25Å; F107-V264 PolarHBondContact N-O 3.16Å
108	A	98.2	Very high	95.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123	-177.4	0	0	0	0	0	110.4	I165 Y168 S263 V264	A108-I165 HydrophobicContact CB-CD1 3.6Å; A108-Y168 HydrophobicContact CB-CD1 3.81Å; A108-Y168 HydrophobicContact CB-CE1 3.8Å; A108-Y168 HydrophobicContact CB-CE2 4.47Å; A108-Y168 HydrophobicContact CB-CG 4.19Å; A108-S263 CarbonylContact O-C 3.46Å; A108-S263 WeakPolarHBondContact O-CA 3.3Å; A108-V264 HydrophobicContact CB-CB 4.4Å; A108-V264 PolarHBondContact N-O 3.32Å; A108-V264 VanDerWaalsContact N-O 3.13Å; A108-V264 PolarHBondContact O-N 2.95Å
109	N	97.9	Very high	95.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.032	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.9	165.1	-176.8	-119.2	0	0	0	109.4	V111 I131 R132 Q134 K262 S263	N109-V111 WeakPolarHBondContact OD1-CG2 3.47Å; N109-I131 CarbonylContact O-C 3.5Å; N109-I131 VanDerWaalsContact O-CA 3.3Å; N109-I131 WeakPolarHBondContact O-CA 3.43Å; N109-R132 HydrophobicContact CB-CB 4.11Å; N109-R132 HydrophobicContact CB-CG 4.45Å; N109-R132 PolarHBondContact N-O 3.16Å; N109-R132 PolarHBondContact O-N 3.47Å; N109-Q134 HydrophobicContact CB-CG 4.07Å; N109-Q134 PolarHBondContact ND2-NE2 3.21Å; N109-K262 CarbonylContact C-O 3.47Å; N109-K262 WeakPolarHBondContact CA-O 3.28Å; N109-K262 PolarHBondContact ND2-O 2.79Å; N109-S263 PolarHBondContact ND2-OG 3.24Å; N109-S263 VanDerWaalsContact ND2-OG 3.14Å
110	V	98.4	Very high	95.7	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	118.6	-179.1	-173.2	0	0	0	0	108.3	Y129 I130 I131 Y168 F172 G261 K262	V110-Y129 HydrophobicContact CG1-CD1 4.24Å; V110-I130 CarbonylContact C-O 2.89Å; V110-I130 WeakPolarHBondContact CA-O 3.36Å; V110-I131 HydrophobicContact CG1-CG1 4.44Å; V110-I131 HydrophobicContact CG2-CG1 4.41Å; V110-Y168 HydrophobicContact CG2-CE1 3.62Å; V110-F172 HydrophobicContact CG1-CE2 3.82Å; V110-F172 HydrophobicContact CG1-CZ 3.9Å; V110-G261 CarbonylContact O-C 3.53Å; V110-G261 WeakPolarHBondContact O-CA 3.39Å; V110-K262 HydrophobicContact CB-CG 4.03Å; V110-K262 PolarHBondContact N-O 3.42Å; V110-K262 PolarHBondContact O-N 2.97Å
111	V	98.4	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.9	178.6	178.4	0	0	0	0	109	N109 I113 Y129 I130 D246 V259	N109-V111 WeakPolarHBondContact OD1-CG2 3.47Å; V111-I113 HydrophobicContact CG1-CD1 3.7Å; V111-I113 HydrophobicContact CG1-CG1 4.38Å; V111-Y129 WeakPolarHBondContact O-CA 3.03Å; V111-I130 HydrophobicContact CB-CB 4.34Å; V111-I130 PolarHBondContact N-O 2.68Å; V111-I130 PolarHBondContact O-N 2.6Å; V111-D246 WeakPolarHBondContact CG2-OD1 3.2Å; V111-V259 HydrophobicContact CG1-CG1 3.34Å
112	H	97.7	Very high	95.8	Very high	56 Å²	56	52 Å²	52	26%	0.259	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.2	178.7	-171.5	-168.8	0	0	0	110	D127 Y129 A260	H112-D127 IonicContact CD2-OD1 2.93Å; H112-D127 IonicContact CE1-OD1 3.53Å; H112-D127 IonicContact NE2-OD1 3.9Å; H112-D127 PolarHBondContact NE2-OD1 3.39Å; H112-Y129 HydrophobicContact CB-CD1 3.94Å; H112-Y129 HydrophobicContact CB-CE1 3.67Å; H112-Y129 AromaticContact CD2-CD1 3.85Å; H112-Y129 AromaticContact CD2-CE1 3.42Å; H112-Y129 VanDerWaalsContact CD2-CE1 3.42Å; H112-Y129 WeakPolarHBondContact CD2-CE1 3.12Å; H112-Y129 AromaticContact CD2-CZ 3.62Å; H112-Y129 AromaticContact CE1-CZ 3.96Å; H112-Y129 AromaticContact CG-CE1 3.41Å; H112-Y129 VanDerWaalsContact CG-CE1 3.41Å; H112-Y129 AromaticContact CG-CZ 3.93Å; H112-Y129 AromaticContact ND1-CE1 3.93Å; H112-Y129 AromaticContact NE2-CE1 3.93Å; H112-Y129 AromaticContact NE2-CZ 3.65Å; H112-A260 PolarHBondContact N-O 3.33Å
113	I	97.9	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	98	178	-53.1	-62.6	0	0	0	108.3	V111 V126 D127 F128 I130 A249 V253 V259	V111-I113 HydrophobicContact CG1-CD1 3.7Å; V111-I113 HydrophobicContact CG1-CG1 4.38Å; I113-V126 HydrophobicContact CG2-CG2 4.42Å; I113-D127 CarbonylContact O-C 3.55Å; I113-D127 VanDerWaalsContact O-CA 3.29Å; I113-D127 WeakPolarHBondContact O-CA 3.46Å; I113-F128 WeakPolarHBondContact CA-O 3.44Å; I113-F128 HydrophobicContact CB-CD1 4.12Å; I113-F128 HydrophobicContact CB-CD2 4.06Å; I113-F128 HydrophobicContact CB-CE1 3.83Å; I113-F128 HydrophobicContact CB-CE2 3.77Å; I113-F128 HydrophobicContact CB-CG 4.23Å; I113-F128 HydrophobicContact CB-CZ 3.65Å; I113-F128 HydrophobicContact CG1-CD2 4.23Å; I113-F128 HydrophobicContact CG1-CE2 3.7Å; I113-F128 HydrophobicContact CG1-CZ 3.91Å; I113-F128 HydrophobicContact CG2-CD1 4.14Å; I113-F128 HydrophobicContact CG2-CE1 3.46Å; I113-F128 VanDerWaalsContact CG2-CE1 3.46Å; I113-F128 HydrophobicContact CG2-CE2 4.11Å; I113-F128 HydrophobicContact CG2-CZ 3.45Å; I113-F128 VanDerWaalsContact CG2-CZ 3.45Å; I113-F128 PolarHBondContact N-O 3.32Å; I113-F128 PolarHBondContact O-N 2.98Å; I113-I130 HydrophobicContact CD1-CD1 4Å; I113-I130 HydrophobicContact CG1-CD1 3.61Å; I113-I130 HydrophobicContact CG1-CG1 4.19Å; I113-A249 HydrophobicContact CB-CB 4.47Å; I113-A249 HydrophobicContact CD1-CB 3.59Å; I113-A249 HydrophobicContact CG1-CB 3.69Å; I113-A249 HydrophobicContact CG2-CB 4.04Å; I113-V253 HydrophobicContact CG2-CB 4.43Å; I113-V253 HydrophobicContact CG2-CG1 3.44Å; I113-V253 VanDerWaalsContact CG2-CG1 3.44Å; I113-V253 HydrophobicContact CG2-CG2 4.13Å; I113-V259 HydrophobicContact CD1-CG1 3.76Å; I113-V259 HydrophobicContact CD1-CG2 4.29Å
114	K	97.4	Very high	95.9	Very high	75 Å²	75	50.2 Å²	50.2	33%	0.326	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133	-178.7	-174.4	-175.8	174.1	-165.2	0	110.7	L116 V126 E318	K114-L116 PolarHBondContact O-N 3.23Å; K114-V126 CarbonylContact C-O 3.57Å; K114-V126 WeakPolarHBondContact CA-O 3.31Å; K114-E318 IonicContact NZ-OE1 2.65Å; K114-E318 PolarHBondContact NZ-OE1 3.26Å
115	T	97.6	Very high	95.9	Very high	22 Å²	22	54.7 Å²	54.7	14%	0.135	28%	0.275	C	S	.	.			trans	-69.9	115.8	167.1	-58	0	0	0	0	109.4	T121 P125 V126	T115-T121 HydrophobicContact CG2-CG2 4.09Å; T115-P125 HydrophobicContact CG2-CB 4.46Å; T115-P125 WeakPolarHBondContact OG1-CA 3.36Å; T115-V126 PolarHBondContact N-O 3.42Å; T115-V126 PolarHBondContact OG1-N 3.25Å
116	L	96.9	Very high	96	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.052	26%	0.263	C	S	.	.			trans	-80.8	130.2	173.2	-59.6	179	0	0	0	110.1	K114 G118 V119 V258 T291 I295 E318 I321	K114-L116 PolarHBondContact O-N 3.23Å; L116-G118 PolarHBondContact O-N 3.5Å; L116-V119 HydrophobicContact CB-CG2 3.9Å; L116-V119 WeakPolarHBondContact O-CB 3.36Å; L116-V119 PolarHBondContact O-N 3.47Å; L116-V258 HydrophobicContact CD1-CB 4.02Å; L116-V258 HydrophobicContact CD1-CG1 4.38Å; L116-T291 HydrophobicContact CD1-CG2 3.96Å; L116-I295 HydrophobicContact CD1-CD1 4.02Å; L116-E318 HydrophobicContact CD2-CG 4.44Å; L116-I321 HydrophobicContact CB-CG2 4.2Å; L116-I321 HydrophobicContact CD1-CD1 3.58Å
117	A	95.4	Very high	96.1	Very high	65 Å²	65	55.4 Å²	55.4	54%	0.537	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	130.7	176.2	0	0	0	0	0	110	R322	A117-R322 HydrophobicContact CB-CG 4.23Å; A117-R322 VanDerWaalsContact O-CA 3.24Å; A117-R322 WeakPolarHBondContact O-CA 3.15Å; A117-R322 PolarHBondContact O-N 3.34Å
118	G	93.9	Very high	96.1	Very high	33 Å²	33	54.6 Å²	54.6	34%	0.34	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-19.1	-174.9	0	0	0	0	0	114.6	L116 R327	L116-G118 PolarHBondContact O-N 3.5Å; G118-R327 PolarHBondContact O-NH2 2.72Å
119	V	94.6	Very high	96.2	Very high	20 Å²	20	56.1 Å²	56.1	12%	0.121	28%	0.282	C	S	.	.	S	Bend	trans	-82.1	128.8	171.5	-176.8	0	0	0	0	109.8	L116 T121 I321 L331	L116-V119 HydrophobicContact CB-CG2 3.9Å; L116-V119 WeakPolarHBondContact O-CB 3.36Å; L116-V119 PolarHBondContact O-N 3.47Å; V119-T121 HydrophobicContact CG1-CG2 4.38Å; V119-T121 PolarHBondContact O-N 2.8Å; V119-I321 HydrophobicContact CG2-CG2 3.49Å; V119-I321 VanDerWaalsContact CG2-CG2 3.49Å; V119-L331 HydrophobicContact CG1-CD2 4.2Å; V119-L331 HydrophobicContact CG2-CD2 4.2Å
120	K	91.5	Very high	96.2	Very high	199 Å²	199	55.9 Å²	55.9	87%	0.865	28%	0.28	S	S	*	.			trans	-80.3	110.8	178.5	-174.2	179.5	-179.8	179.2	0	110.2
121	T	93.9	Very high	96.2	Very high	37 Å²	37	55.6 Å²	55.6	23%	0.227	28%	0.279	C	S	.	.			trans	-111.6	162.5	175.8	56.3	0	0	0	0	111.4	T115 V119 H123 I252	T115-T121 HydrophobicContact CG2-CG2 4.09Å; V119-T121 HydrophobicContact CG1-CG2 4.38Å; V119-T121 PolarHBondContact O-N 2.8Å; T121-H123 PolarHBondContact OG1-O 3.04Å; T121-H123 VanDerWaalsContact OG1-O 3.11Å; T121-I252 WeakPolarHBondContact CG2-O 3.42Å
122	R	93.4	Very high	96.2	Very high	245 Å²	245	55.6 Å²	55.6	93%	0.925	28%	0.279	S	S	*	.	S	Bend	trans	-78.2	-32.2	174.7	-70.9	-178.5	177.7	178.7	-0.1	112.4
123	H	94.5	Very high	96.2	Very high	46 Å²	46	53.5 Å²	53.5	21%	0.213	27%	0.269	C	S	.	.	S	Bend	trans	-97	166.5	-174.4	-56.8	74.4	0	0	0	111.6	T121 V226 P229	T121-H123 PolarHBondContact OG1-O 3.04Å; T121-H123 VanDerWaalsContact OG1-O 3.11Å; H123-V226 PolarHBondContact NE2-O 3.08Å; H123-P229 HydrophobicContact CB-CG 4.01Å; H123-P229 WeakPolarHBondContact CD2-CD 3.11Å; H123-P229 VanDerWaalsContact CD2-CG 3.47Å; H123-P229 WeakPolarHBondContact CD2-CG 3.31Å
124	K	92.3	Very high	96	Very high	150 Å²	150	53.9 Å²	53.9	65%	0.652	27%	0.271	S	S	*	.	S	Bend	trans	-56.8	159.7	164.1	-66.4	178.9	-177	173.2	0	110.1	V126	K124-V126 WeakPolarHBondContact O-CG1 3.44Å; K124-V126 PolarHBondContact O-N 3.01Å
125	P	95.5	Very high	95.8	Very high	107 Å²	107	51.7 Å²	51.7	70%	0.695	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-52.1	130	175	-26.4	35.2	0	0	0	111.5	T115	T115-P125 HydrophobicContact CG2-CB 4.46Å; T115-P125 WeakPolarHBondContact OG1-CA 3.36Å
126	V	97.3	Very high	95.6	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.036	26%	0.261	C	S	.	.			trans	-118.5	152.2	175.9	-61.3	0	0	0	0	110.7	I113 K114 T115 K124 F128 P229 E230 I252 V253	I113-V126 HydrophobicContact CG2-CG2 4.42Å; K114-V126 CarbonylContact C-O 3.57Å; K114-V126 WeakPolarHBondContact CA-O 3.31Å; T115-V126 PolarHBondContact N-O 3.42Å; T115-V126 PolarHBondContact OG1-N 3.25Å; K124-V126 WeakPolarHBondContact O-CG1 3.44Å; K124-V126 PolarHBondContact O-N 3.01Å; V126-F128 HydrophobicContact CB-CD1 4.25Å; V126-F128 HydrophobicContact CB-CE1 4.32Å; V126-F128 HydrophobicContact CG2-CD1 4.45Å; V126-F128 HydrophobicContact CG2-CE1 4.15Å; V126-P229 HydrophobicContact CG1-CB 3.87Å; V126-P229 HydrophobicContact CG1-CG 3.72Å; V126-E230 HydrophobicContact CG1-CB 4.29Å; V126-I252 HydrophobicContact CG2-CG2 4.44Å; V126-V253 HydrophobicContact CG2-CG1 3.53Å
127	D	97.9	Very high	95.4	Very high	63 Å²	63	51.1 Å²	51.1	34%	0.337	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	93.4	179.9	177.4	22	0	0	0	110	H112 I113 R178	H112-D127 IonicContact CD2-OD1 2.93Å; H112-D127 IonicContact CE1-OD1 3.53Å; H112-D127 IonicContact NE2-OD1 3.9Å; H112-D127 PolarHBondContact NE2-OD1 3.39Å; I113-D127 CarbonylContact O-C 3.55Å; I113-D127 VanDerWaalsContact O-CA 3.29Å; I113-D127 WeakPolarHBondContact O-CA 3.46Å; D127-R178 PolarHBondContact O-NH1 3.33Å; D127-R178 IonicContact OD1-NH2 3.44Å; D127-R178 PolarHBondContact OD1-NH2 3.25Å; D127-R178 IonicContact OD2-CZ 3.77Å; D127-R178 IonicContact OD2-NH1 2.71Å; D127-R178 PolarHBondContact OD2-NH1 3.12Å; D127-R178 IonicContact OD2-NH2 3.93Å; D127-R178 PolarHBondContact OD2-NH2 3.22Å
128	F	98.5	Very high	95.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	164.4	-179.9	67.5	-91	0	0	0	112	I113 V126 I130 L225 P229 F232 E233 M235 A249	I113-F128 WeakPolarHBondContact CA-O 3.44Å; I113-F128 HydrophobicContact CB-CD1 4.12Å; I113-F128 HydrophobicContact CB-CD2 4.06Å; I113-F128 HydrophobicContact CB-CE1 3.83Å; I113-F128 HydrophobicContact CB-CE2 3.77Å; I113-F128 HydrophobicContact CB-CG 4.23Å; I113-F128 HydrophobicContact CB-CZ 3.65Å; I113-F128 HydrophobicContact CG1-CD2 4.23Å; I113-F128 HydrophobicContact CG1-CE2 3.7Å; I113-F128 HydrophobicContact CG1-CZ 3.91Å; I113-F128 HydrophobicContact CG2-CD1 4.14Å; I113-F128 HydrophobicContact CG2-CE1 3.46Å; I113-F128 VanDerWaalsContact CG2-CE1 3.46Å; I113-F128 HydrophobicContact CG2-CE2 4.11Å; I113-F128 HydrophobicContact CG2-CZ 3.45Å; I113-F128 VanDerWaalsContact CG2-CZ 3.45Å; I113-F128 PolarHBondContact N-O 3.32Å; I113-F128 PolarHBondContact O-N 2.98Å; V126-F128 HydrophobicContact CB-CD1 4.25Å; V126-F128 HydrophobicContact CB-CE1 4.32Å; V126-F128 HydrophobicContact CG2-CD1 4.45Å; V126-F128 HydrophobicContact CG2-CE1 4.15Å; F128-I130 HydrophobicContact CD2-CG1 4.25Å; F128-I130 HydrophobicContact CE2-CD1 4.1Å; F128-I130 HydrophobicContact CE2-CG1 3.89Å; F128-L225 HydrophobicContact CE1-CD2 4.23Å; F128-L225 HydrophobicContact CE2-CD2 4.06Å; F128-L225 HydrophobicContact CZ-CD2 3.56Å; F128-P229 HydrophobicContact CE1-CB 4.46Å; F128-F232 HydrophobicContact CB-CB 4.04Å; F128-F232 WeakPolarHBondContact CB-O 3.43Å; F128-F232 HydrophobicContact CD1-CB 4.35Å; F128-F232 HydrophobicContact CD2-CB 4.28Å; F128-F232 HydrophobicContact CG-CB 4Å; F128-E233 CarbonylContact C-O 3.49Å; F128-E233 WeakPolarHBondContact CA-O 3.44Å; F128-E233 VanDerWaalsContact CB-O 3.32Å; F128-E233 WeakPolarHBondContact CB-O 3.37Å; F128-M235 HydrophobicContact CD2-CG 4.5Å; F128-M235 HydrophobicContact CD2-SD 3.8Å; F128-M235 HydrophobicContact CE2-SD 3.76Å; F128-A249 HydrophobicContact CE2-CB 4.22Å; F128-A249 HydrophobicContact CZ-CB 3.85Å
129	Y	98.7	Very high	94.7	Very high	33 Å²	33	51.2 Å²	51.2	13%	0.129	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	138.9	-179.7	-65.8	-86	0	0	0	111.3	V110 V111 H112 F172 R178 E233 M235	V110-Y129 HydrophobicContact CG1-CD1 4.24Å; V111-Y129 WeakPolarHBondContact O-CA 3.03Å; H112-Y129 HydrophobicContact CB-CD1 3.94Å; H112-Y129 HydrophobicContact CB-CE1 3.67Å; H112-Y129 AromaticContact CD2-CD1 3.85Å; H112-Y129 AromaticContact CD2-CE1 3.42Å; H112-Y129 VanDerWaalsContact CD2-CE1 3.42Å; H112-Y129 WeakPolarHBondContact CD2-CE1 3.12Å; H112-Y129 AromaticContact CD2-CZ 3.62Å; H112-Y129 AromaticContact CE1-CZ 3.96Å; H112-Y129 AromaticContact CG-CE1 3.41Å; H112-Y129 VanDerWaalsContact CG-CE1 3.41Å; H112-Y129 AromaticContact CG-CZ 3.93Å; H112-Y129 AromaticContact ND1-CE1 3.93Å; H112-Y129 AromaticContact NE2-CE1 3.93Å; H112-Y129 AromaticContact NE2-CZ 3.65Å; Y129-F172 AromaticContact CD1-CE1 3.83Å; Y129-F172 HydrophobicContact CD1-CE1 3.83Å; Y129-F172 AromaticContact CD1-CZ 3.67Å; Y129-F172 HydrophobicContact CD1-CZ 3.67Å; Y129-F172 AromaticContact CD2-CE1 3.69Å; Y129-F172 HydrophobicContact CD2-CE1 3.69Å; Y129-F172 HydrophobicContact CD2-CZ 4.28Å; Y129-F172 HydrophobicContact CE1-CE1 4.18Å; Y129-F172 AromaticContact CE1-CZ 3.78Å; Y129-F172 HydrophobicContact CE1-CZ 3.78Å; Y129-F172 HydrophobicContact CE2-CE1 4.01Å; Y129-F172 HydrophobicContact CE2-CZ 4.35Å; Y129-F172 AromaticContact CG-CE1 3.56Å; Y129-F172 HydrophobicContact CG-CE1 3.56Å; Y129-F172 AromaticContact CG-CZ 3.94Å; Y129-F172 HydrophobicContact CG-CZ 3.94Å; Y129-R178 VanDerWaalsContact CE2-NH2 3.32Å; Y129-E233 PolarHBondContact N-O 3.16Å; Y129-M235 PolarHBondContact O-N 2.96Å
130	I	98.7	Very high	94	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.3	169.7	-58.7	160.5	0	0	0	107.4	V110 V111 I113 F128 M237 I245 D246 A249	V110-I130 CarbonylContact C-O 2.89Å; V110-I130 WeakPolarHBondContact CA-O 3.36Å; V111-I130 HydrophobicContact CB-CB 4.34Å; V111-I130 PolarHBondContact N-O 2.68Å; V111-I130 PolarHBondContact O-N 2.6Å; I113-I130 HydrophobicContact CD1-CD1 4Å; I113-I130 HydrophobicContact CG1-CD1 3.61Å; I113-I130 HydrophobicContact CG1-CG1 4.19Å; F128-I130 HydrophobicContact CD2-CG1 4.25Å; F128-I130 HydrophobicContact CE2-CD1 4.1Å; F128-I130 HydrophobicContact CE2-CG1 3.89Å; I130-M237 HydrophobicContact CG2-CE 3.88Å; I130-M237 HydrophobicContact CG2-SD 4.16Å; I130-I245 HydrophobicContact CD1-CG2 3.6Å; I130-I245 HydrophobicContact CG1-CG2 3.95Å; I130-I245 HydrophobicContact CG2-CG2 4.46Å; I130-D246 WeakPolarHBondContact CD1-OD1 3.38Å; I130-D246 WeakPolarHBondContact CG2-OD1 3.32Å; I130-A249 HydrophobicContact CD1-CB 3.77Å
131	I	98.8	Very high	93.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.9	177.1	-61.6	-178.7	0	0	0	107.7	N109 V110 I165 Y168 A169 F172 V234 M235 V236 M237	N109-I131 CarbonylContact O-C 3.5Å; N109-I131 VanDerWaalsContact O-CA 3.3Å; N109-I131 WeakPolarHBondContact O-CA 3.43Å; V110-I131 HydrophobicContact CG1-CG1 4.44Å; V110-I131 HydrophobicContact CG2-CG1 4.41Å; I131-I165 HydrophobicContact CG2-CD1 3.67Å; I131-I165 HydrophobicContact CG2-CG1 4.14Å; I131-Y168 HydrophobicContact CD1-CD1 4.32Å; I131-Y168 HydrophobicContact CD1-CE1 4.31Å; I131-Y168 HydrophobicContact CG2-CD1 3.87Å; I131-Y168 HydrophobicContact CG2-CE1 4.27Å; I131-A169 HydrophobicContact CB-CB 4.4Å; I131-A169 HydrophobicContact CD1-CB 3.87Å; I131-A169 HydrophobicContact CG2-CB 4.17Å; I131-F172 HydrophobicContact CD1-CB 3.82Å; I131-F172 HydrophobicContact CD1-CD1 3.84Å; I131-F172 HydrophobicContact CD1-CD2 4.45Å; I131-F172 HydrophobicContact CD1-CG 3.78Å; I131-V234 HydrophobicContact CD1-CG1 3.68Å; I131-V234 HydrophobicContact CG1-CG1 4.28Å; I131-M235 PolarHBondContact N-O 3.08Å; I131-V236 HydrophobicContact CG2-CG2 4.38Å; I131-V236 CarbonylContact O-C 3.53Å; I131-V236 VanDerWaalsContact O-CA 3.28Å; I131-V236 WeakPolarHBondContact O-CA 3.39Å; I131-M237 PolarHBondContact O-N 3.05Å
132	R	98.2	Very high	93.1	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.3	-173.7	163.9	-169.6	178.1	169.9	7.1	110.1	N109 Q134 M237 N239 N243 D246	N109-R132 HydrophobicContact CB-CB 4.11Å; N109-R132 HydrophobicContact CB-CG 4.45Å; N109-R132 PolarHBondContact N-O 3.16Å; N109-R132 PolarHBondContact O-N 3.47Å; R132-Q134 PolarHBondContact O-N 2.8Å; R132-M237 WeakPolarHBondContact CA-O 3.41Å; R132-N239 PolarHBondContact NE-O 2.88Å; R132-N239 PolarHBondContact NE-OD1 2.93Å; R132-N239 PolarHBondContact NH2-O 2.99Å; R132-N239 PolarHBondContact NH2-OD1 3.13Å; R132-N243 VanDerWaalsContact NH1-CA 3.32Å; R132-N243 VanDerWaalsContact NH1-CB 3.34Å; R132-N243 PolarHBondContact NH1-OD1 2.75Å; R132-D246 IonicContact NH1-OD2 3.42Å
133	E	97.7	Very high	92.8	Very high	11 Å²	11	37.4 Å²	37.4	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.1	165.4	-157.4	-65.8	127.5	0	0	108.3	T135 E136 I165 M237 N239	E133-T135 WeakPolarHBondContact OE1-CB 3.34Å; E133-T135 PolarHBondContact OE1-N 2.67Å; E133-T135 PolarHBondContact OE1-OG1 3.35Å; E133-T135 PolarHBondContact OE2-N 3.31Å; E133-T135 VanDerWaalsContact OE2-N 3.16Å; E133-E136 PolarHBondContact OE2-N 3.35Å; E133-I165 HydrophobicContact CB-CB 4.11Å; E133-I165 HydrophobicContact CB-CG1 3.92Å; E133-I165 HydrophobicContact CB-CG2 4.02Å; E133-I165 HydrophobicContact CG-CB 3.99Å; E133-I165 HydrophobicContact CG-CG1 4.31Å; E133-I165 HydrophobicContact CG-CG2 3.98Å; E133-M237 PolarHBondContact N-O 3.21Å; E133-N239 WeakPolarHBondContact O-CA 3.11Å; E133-N239 WeakPolarHBondContact O-CB 3.32Å; E133-N239 VanDerWaalsContact O-CG 3.23Å; E133-N239 PolarHBondContact O-N 3.2Å
134	Q	93.6	Very high	92.5	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.037	20%	0.199	C	C	.	.			trans	-110.9	-7.3	-165	-138.5	-177.4	28.2	0	0	114.5	L106 F107 N109 R132 N239 S263	L106-Q134 WeakPolarHBondContact O-CB 3.21Å; L106-Q134 PolarHBondContact O-OE1 2.92Å; L106-Q134 VanDerWaalsContact O-OE1 3.04Å; F107-Q134 PolarHBondContact O-N 2.91Å; N109-Q134 HydrophobicContact CB-CG 4.07Å; N109-Q134 PolarHBondContact ND2-NE2 3.21Å; R132-Q134 PolarHBondContact O-N 2.8Å; Q134-N239 PolarHBondContact O-ND2 3.47Å; Q134-S263 PolarHBondContact NE2-OG 3.06Å; Q134-S263 PolarHBondContact OE1-OG 3.16Å
135	T	92.6	Very high	92.4	Very high	29 Å²	29	37.5 Å²	37.5	18%	0.178	19%	0.193	C	C	.	.	S	Bend	trans	-109	-13.9	-169	67.1	0	0	0	0	114.6	F107 E133 K161	F107-T135 HydrophobicContact CB-CG2 4.27Å; E133-T135 WeakPolarHBondContact OE1-CB 3.34Å; E133-T135 PolarHBondContact OE1-N 2.67Å; E133-T135 PolarHBondContact OE1-OG1 3.35Å; E133-T135 PolarHBondContact OE2-N 3.31Å; E133-T135 VanDerWaalsContact OE2-N 3.16Å; T135-K161 WeakPolarHBondContact OG1-CD 3.38Å; T135-K161 PolarHBondContact OG1-NZ 2.74Å
136	E	93.7	Very high	92.2	Very high	17 Å²	17	35.3 Å²	35.3	8%	0.079	18%	0.18	C	C	.	.	S	Bend	trans	-127	-163.1	179.5	-78.4	-178	-175.5	0	0	111.8	E133 I156 T158 K161 N239	E133-E136 PolarHBondContact OE2-N 3.35Å; E136-I156 HydrophobicContact CG-CG2 4.48Å; E136-T158 VanDerWaalsContact CD-OG1 3.3Å; E136-T158 VanDerWaalsContact OE1-CG2 3.28Å; E136-T158 WeakPolarHBondContact OE1-CG2 3.33Å; E136-T158 PolarHBondContact OE1-OG1 3.03Å; E136-T158 PolarHBondContact OE2-N 3.49Å; E136-T158 PolarHBondContact OE2-OG1 2.96Å; E136-K161 HydrophobicContact CG-CD 3.79Å; E136-K161 WeakPolarHBondContact OE1-CD 3.22Å; E136-K161 WeakPolarHBondContact OE1-CE 3.18Å; E136-K161 IonicContact OE1-NZ 2.8Å; E136-K161 PolarHBondContact OE1-NZ 3.48Å; E136-K161 VanDerWaalsContact OE1-NZ 3.09Å; E136-N239 WeakPolarHBondContact O-CB 3.39Å; E136-N239 PolarHBondContact O-ND2 3.32Å
137	G	92.9	Very high	92	Very high	4 Å²	4	39.5 Å²	39.5	4%	0.041	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	81.3	-152.2	-173.4	0	0	0	0	0	112.3	Y139 S140 I156	G137-Y139 PolarHBondContact O-N 2.99Å; G137-S140 WeakPolarHBondContact O-CB 3.09Å; G137-S140 PolarHBondContact O-N 3.22Å; G137-S140 VanDerWaalsContact O-N 3.16Å; G137-S140 PolarHBondContact O-OG 3.08Å; G137-I156 VanDerWaalsContact CA-O 3.27Å; G137-I156 WeakPolarHBondContact CA-O 3.47Å; G137-I156 PolarHBondContact N-O 3.46Å
138	E	90.9	Very high	91.8	Very high	39 Å²	39	46.2 Å²	46.2	18%	0.182	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-64.8	-18.8	-179.1	-58	83.9	172.8	0	0	111.9	S140 K155 L240	E138-S140 PolarHBondContact O-N 3.07Å; E138-K155 HydrophobicContact CG-CB 4.42Å; E138-K155 HydrophobicContact CG-CG 4.25Å; E138-K155 VanDerWaalsContact OE1-CD 3.25Å; E138-K155 WeakPolarHBondContact OE1-CD 3.35Å; E138-K155 WeakPolarHBondContact OE1-CE 3.47Å; E138-K155 IonicContact OE1-NZ 3.72Å; E138-K155 PolarHBondContact OE1-NZ 3.39Å; E138-L240 HydrophobicContact CB-CD2 4.46Å; E138-L240 HydrophobicContact CG-CB 4.39Å; E138-L240 HydrophobicContact CG-CD2 3.92Å; E138-L240 WeakPolarHBondContact OE2-CB 3.43Å
139	Y	83.2	Confident	91.6	Very high	61 Å²	61	49.3 Å²	49.3	24%	0.239	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-79.5	0.5	177.2	-74.1	-107.2	0	0	0	113.5	M98 G137 A141 N239 L240 N243	M98-Y139 HydrophobicContact CE-CD1 4.3Å; M98-Y139 WeakPolarHBondContact CE-O 3.42Å; M98-Y139 HydrophobicContact SD-CD1 4.44Å; G137-Y139 PolarHBondContact O-N 2.99Å; Y139-A141 PolarHBondContact O-N 3.15Å; Y139-N239 WeakPolarHBondContact CB-ND2 3.45Å; Y139-N239 HydrophobicContact CD2-CB 4Å; Y139-L240 HydrophobicContact CE2-CB 4.23Å; Y139-L240 HydrophobicContact CE2-CD1 4.17Å; Y139-N243 VanDerWaalsContact OH-CG 3.28Å; Y139-N243 PolarHBondContact OH-ND2 2.8Å; Y139-N243 VanDerWaalsContact OH-ND2 3.08Å
140	S	80.6	Confident	91.4	Very high	20 Å²	20	51.1 Å²	51.1	14%	0.14	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-63.6	-15.9	171.1	-54.5	0	0	0	0	112.1	H94 G137 E138 L142	H94-S140 PolarHBondContact CE1-O 3.26Å; G137-S140 WeakPolarHBondContact O-CB 3.09Å; G137-S140 PolarHBondContact O-N 3.22Å; G137-S140 VanDerWaalsContact O-N 3.16Å; G137-S140 PolarHBondContact O-OG 3.08Å; E138-S140 PolarHBondContact O-N 3.07Å; S140-L142 PolarHBondContact O-N 2.76Å
141	A	81.6	Confident	91.1	Very high	12 Å²	12	55.2 Å²	55.2	10%	0.099	30%	0.303	C	S	.	.			trans	56.2	37.7	177.5	0	0	0	0	0	112.7	L93 M98 Y139 E143	L93-A141 HydrophobicContact CB-CB 3.62Å; L93-A141 HydrophobicContact CD1-CB 4.32Å; L93-A141 VanDerWaalsContact CD1-O 3.27Å; L93-A141 WeakPolarHBondContact CD1-O 3.4Å; M98-A141 HydrophobicContact CE-CB 4.17Å; Y139-A141 PolarHBondContact O-N 3.15Å; A141-E143 PolarHBondContact O-N 2.72Å
142	L	84.7	Confident	90.8	Very high	83 Å²	83	59.3 Å²	59.3	44%	0.435	32%	0.322	S	S	.	.			trans	-98.7	78.2	177	-64.2	-179	0	0	0	108.4	S140 L154 I156	S140-L142 PolarHBondContact O-N 2.76Å; L142-L154 HydrophobicContact CB-CB 4.02Å; L142-L154 HydrophobicContact CB-CD1 4.35Å; L142-L154 PolarHBondContact O-N 2.96Å; L142-I156 HydrophobicContact CD1-CD1 3.82Å; L142-I156 HydrophobicContact CD1-CG1 3.64Å
143	E	87.2	Confident	90.5	Very high	96 Å²	96	62.4 Å²	62.4	45%	0.449	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.3	178.4	-62.5	-177.1	-108.3	0	0	110	L93 A141 E152 C153	L93-E143 HydrophobicContact CD1-CB 4.34Å; A141-E143 PolarHBondContact O-N 2.72Å; E143-E152 VanDerWaalsContact CA-O 3.25Å; E143-E152 WeakPolarHBondContact CA-O 3.4Å; E143-C153 HydrophobicContact CG-CB 3.95Å
144	H	88.3	Confident	90.2	Very high	83 Å²	83	65.8 Å²	65.8	38%	0.384	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	156.9	177.4	59.5	-74.8	0	0	0	111.3	V151 E152	H144-V151 WeakPolarHBondContact O-CA 3.49Å; H144-E152 IonicContact CE1-OE2 2.76Å; H144-E152 PolarHBondContact N-O 3Å; H144-E152 IonicContact NE2-OE2 2.72Å; H144-E152 PolarHBondContact NE2-OE2 3.35Å; H144-E152 PolarHBondContact O-N 3.02Å
145	E	90.4	Very high	90.3	Very high	115 Å²	115	67.6 Å²	67.6	54%	0.537	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111	169.1	-76.8	-171.4	-148	0	0	109.9	V147 K148 G149 V150 V151	E145-V147 VanDerWaalsContact C-N 3.34Å; E145-K148 VanDerWaalsContact OE2-CA 3.3Å; E145-K148 WeakPolarHBondContact OE2-CA 3.33Å; E145-G149 PolarHBondContact OE2-N 3.21Å; E145-V150 VanDerWaalsContact CA-O 3.27Å; E145-V150 WeakPolarHBondContact CA-O 3.35Å; E145-V151 HydrophobicContact CG-CG2 3.74Å
146	S	90	Very high	90.5	Very high	60 Å²	60	68.9 Å²	68.9	42%	0.42	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-37.8	174.8	-67.9	0	0	0	0	111.5	V150 E152	S146-V150 PolarHBondContact N-O 2.75Å; S146-E152 WeakPolarHBondContact CB-OE1 3.1Å; S146-E152 PolarHBondContact OG-OE1 3.05Å
147	V	93.9	Very high	90.7	Very high	94 Å²	94	69.7 Å²	69.7	57%	0.57	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.3	158.1	165.9	-65.4	0	0	0	0	108.2	E145 G149 V150	E145-V147 VanDerWaalsContact C-N 3.34Å; V147-G149 PolarHBondContact O-N 3.41Å; V147-G149 VanDerWaalsContact O-N 3.07Å; V147-V150 HydrophobicContact CG2-CB 3.69Å; V147-V150 HydrophobicContact CG2-CG2 3.49Å; V147-V150 VanDerWaalsContact CG2-CG2 3.49Å; V147-V150 PolarHBondContact O-N 3.09Å
148	K	94.3	Very high	90.9	Very high	205 Å²	205	71.8 Å²	71.8	89%	0.891	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	118.1	-177.2	-174.6	176	-179.6	177	0	111.6	E145	E145-K148 VanDerWaalsContact OE2-CA 3.3Å; E145-K148 WeakPolarHBondContact OE2-CA 3.33Å
149	G	94.1	Very high	91.3	Very high	64 Å²	64	75.8 Å²	75.8	66%	0.66	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	2.6	-179.7	0	0	0	0	0	115.8	E145 V147	E145-G149 PolarHBondContact OE2-N 3.21Å; V147-G149 PolarHBondContact O-N 3.41Å; V147-G149 VanDerWaalsContact O-N 3.07Å
150	V	94.9	Very high	92	Very high	72 Å²	72	79.9 Å²	79.9	44%	0.436	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	98.9	171.1	178.6	0	0	0	0	108.1	E145 S146 V147	E145-V150 VanDerWaalsContact CA-O 3.27Å; E145-V150 WeakPolarHBondContact CA-O 3.35Å; S146-V150 PolarHBondContact N-O 2.75Å; V147-V150 HydrophobicContact CG2-CB 3.69Å; V147-V150 HydrophobicContact CG2-CG2 3.49Å; V147-V150 VanDerWaalsContact CG2-CG2 3.49Å; V147-V150 PolarHBondContact O-N 3.09Å
151	V	91.2	Very high	92.8	Very high	86 Å²	86	80.9 Å²	80.9	52%	0.521	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	125.9	179.5	-176.5	0	0	0	0	109.6	H144 E145	H144-V151 WeakPolarHBondContact O-CA 3.49Å; E145-V151 HydrophobicContact CG-CG2 3.74Å
152	E	93.2	Very high	93.6	Very high	85 Å²	85	80.5 Å²	80.5	40%	0.397	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	135.6	171.6	-66.3	-179.8	-157.3	0	0	109.6	E143 H144 S146	E143-E152 VanDerWaalsContact CA-O 3.25Å; E143-E152 WeakPolarHBondContact CA-O 3.4Å; H144-E152 IonicContact CE1-OE2 2.76Å; H144-E152 PolarHBondContact N-O 3Å; H144-E152 IonicContact NE2-OE2 2.72Å; H144-E152 PolarHBondContact NE2-OE2 3.35Å; H144-E152 PolarHBondContact O-N 3.02Å; S146-E152 WeakPolarHBondContact CB-OE1 3.1Å; S146-E152 PolarHBondContact OG-OE1 3.05Å
153	C	90.5	Very high	94.3	Very high	67 Å²	67	78.3 Å²	78.3	45%	0.453	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.4	177.6	179.3	0	0	0	0	109.3	E143	E143-C153 HydrophobicContact CG-CB 3.95Å
154	L	93.2	Very high	94.8	Very high	81 Å²	81	76.5 Å²	76.5	42%	0.424	40%	0.403	S	S	.	.			trans	-92.6	116.9	-179.9	-61.6	175.4	0	0	0	110.7	L142 I156	L142-L154 HydrophobicContact CB-CB 4.02Å; L142-L154 HydrophobicContact CB-CD1 4.35Å; L142-L154 PolarHBondContact O-N 2.96Å; L154-I156 HydrophobicContact CB-CD1 4.11Å; L154-I156 PolarHBondContact O-N 3.04Å
155	K	95	Very high	95.3	Very high	46 Å²	46	72.5 Å²	72.5	20%	0.2	38%	0.384	C	S	.	.			trans	-83	108.3	166	-175.1	-176.1	-172.6	156.6	0	109.6	E138 V157 M190 D194 Y241	E138-K155 HydrophobicContact CG-CB 4.42Å; E138-K155 HydrophobicContact CG-CG 4.25Å; E138-K155 VanDerWaalsContact OE1-CD 3.25Å; E138-K155 WeakPolarHBondContact OE1-CD 3.35Å; E138-K155 WeakPolarHBondContact OE1-CE 3.47Å; E138-K155 IonicContact OE1-NZ 3.72Å; E138-K155 PolarHBondContact OE1-NZ 3.39Å; K155-V157 HydrophobicContact CD-CG2 4.28Å; K155-V157 HydrophobicContact CG-CG2 4.06Å; K155-M190 HydrophobicContact CD-SD 3.53Å; K155-M190 VanDerWaalsContact CD-SD 3.53Å; K155-D194 WeakPolarHBondContact CE-OD1 3.37Å; K155-D194 IonicContact NZ-OD1 3.62Å; K155-D194 PolarHBondContact NZ-OD1 2.69Å; K155-D194 IonicContact NZ-OD2 2.98Å; K155-Y241 PolarHBondContact NZ-OH 3.32Å; K155-Y241 VanDerWaalsContact NZ-OH 3.16Å
156	I	96.3	Very high	95.7	Very high	57 Å²	57	67 Å²	67	29%	0.292	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-87.5	130.2	176.5	-52.6	-53.8	0	0	0	109.5	E136 G137 L142 L154 T158	E136-I156 HydrophobicContact CG-CG2 4.48Å; G137-I156 VanDerWaalsContact CA-O 3.27Å; G137-I156 WeakPolarHBondContact CA-O 3.47Å; G137-I156 PolarHBondContact N-O 3.46Å; L142-I156 HydrophobicContact CD1-CD1 3.82Å; L142-I156 HydrophobicContact CD1-CG1 3.64Å; L154-I156 HydrophobicContact CB-CD1 4.11Å; L154-I156 PolarHBondContact O-N 3.04Å; I156-T158 HydrophobicContact CG2-CG2 4.4Å
157	V	97.4	Very high	96.1	Very high	34 Å²	34	67.4 Å²	67.4	21%	0.206	35%	0.353	C	S	.	.			trans	-142.1	120.8	174.6	-174.3	0	0	0	0	108.1	K155 C162 L196	K155-V157 HydrophobicContact CD-CG2 4.28Å; K155-V157 HydrophobicContact CG-CG2 4.06Å; V157-C162 WeakPolarHBondContact CG1-SG 3.09Å; V157-L196 HydrophobicContact CG1-CD2 4.37Å
158	T	98.2	Very high	96.4	Very high	48 Å²	48	65.1 Å²	65.1	29%	0.294	33%	0.334	S	S	.	.			trans	-111.7	144.9	178.5	65.5	0	0	0	0	111.6	E136 I156 E160 K161 C162	E136-T158 VanDerWaalsContact CD-OG1 3.3Å; E136-T158 VanDerWaalsContact OE1-CG2 3.28Å; E136-T158 WeakPolarHBondContact OE1-CG2 3.33Å; E136-T158 PolarHBondContact OE1-OG1 3.03Å; E136-T158 PolarHBondContact OE2-N 3.49Å; E136-T158 PolarHBondContact OE2-OG1 2.96Å; I156-T158 HydrophobicContact CG2-CG2 4.4Å; T158-E160 VanDerWaalsContact C-N 3.26Å; T158-E160 PolarHBondContact O-N 2.89Å; T158-K161 PolarHBondContact O-N 3.09Å; T158-K161 WeakPolarHBondContact OG1-CG 3.26Å; T158-K161 PolarHBondContact OG1-N 3Å; T158-C162 PolarHBondContact O-N 3.02Å; T158-C162 PolarHBondContact O-SG 2.99Å
159	R	98.6	Very high	96.6	Very high	123 Å²	123	55.4 Å²	55.4	46%	0.464	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-41.7	177.9	-172.7	176.9	-172.7	-88.7	-2.7	111.6	K161 C162 L163 L196 E203	R159-K161 PolarHBondContact O-N 2.93Å; R159-C162 PolarHBondContact O-N 2.62Å; R159-L163 HydrophobicContact CG-CD1 4.13Å; R159-L163 HydrophobicContact CG-CG 4.43Å; R159-L163 WeakPolarHBondContact O-CG 3.47Å; R159-L163 PolarHBondContact O-N 2.93Å; R159-L196 HydrophobicContact CB-CD1 4.14Å; R159-L196 HydrophobicContact CB-CD2 4.37Å; R159-L196 HydrophobicContact CG-CD1 4.2Å; R159-E203 IonicContact CZ-OE1 3.1Å; R159-E203 IonicContact CZ-OE2 3.64Å; R159-E203 IonicContact NH2-OE1 3.09Å; R159-E203 PolarHBondContact NH2-OE1 3.1Å; R159-E203 IonicContact NH2-OE2 2.71Å; R159-E203 PolarHBondContact NH2-OE2 3.04Å
160	E	98.4	Very high	96.8	Very high	146 Å²	146	52.3 Å²	52.3	68%	0.682	26%	0.26	S	S	*	.	H	α-helix	trans	-54.3	-50.8	178.4	-175.5	-171.2	151.8	0	0	111.5	T158 L163 R164	T158-E160 VanDerWaalsContact C-N 3.26Å; T158-E160 PolarHBondContact O-N 2.89Å; E160-L163 PolarHBondContact O-N 2.89Å; E160-R164 WeakPolarHBondContact O-CB 3.37Å; E160-R164 PolarHBondContact O-N 3.03Å
161	K	97.8	Very high	97	Very high	41 Å²	41	52 Å²	52	18%	0.178	26%	0.256	C	S	.	.	H	α-helix	trans	-76.5	-30.7	-177.7	-61.9	-157.8	-161.8	164.7	0	113.4	T135 E136 T158 R159 R164 I165	T135-K161 WeakPolarHBondContact OG1-CD 3.38Å; T135-K161 PolarHBondContact OG1-NZ 2.74Å; E136-K161 HydrophobicContact CG-CD 3.79Å; E136-K161 WeakPolarHBondContact OE1-CD 3.22Å; E136-K161 WeakPolarHBondContact OE1-CE 3.18Å; E136-K161 IonicContact OE1-NZ 2.8Å; E136-K161 PolarHBondContact OE1-NZ 3.48Å; E136-K161 VanDerWaalsContact OE1-NZ 3.09Å; T158-K161 PolarHBondContact O-N 3.09Å; T158-K161 WeakPolarHBondContact OG1-CG 3.26Å; T158-K161 PolarHBondContact OG1-N 3Å; R159-K161 PolarHBondContact O-N 2.93Å; K161-R164 PolarHBondContact O-N 2.88Å; K161-I165 WeakPolarHBondContact O-CG2 3.35Å; K161-I165 PolarHBondContact O-N 2.8Å
162	C	98.7	Very high	97.3	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-61.1	-47.9	170.6	-68	0	0	0	0	111.8	V157 T158 R159 R164 I165 A166 F197 C200	V157-C162 WeakPolarHBondContact CG1-SG 3.09Å; T158-C162 PolarHBondContact O-N 3.02Å; T158-C162 PolarHBondContact O-SG 2.99Å; R159-C162 PolarHBondContact O-N 2.62Å; C162-R164 VanDerWaalsContact C-N 3.35Å; C162-I165 WeakPolarHBondContact O-CG2 3.42Å; C162-A166 VanDerWaalsContact O-CB 3.23Å; C162-A166 WeakPolarHBondContact O-CB 3.34Å; C162-A166 PolarHBondContact O-N 2.83Å; C162-F197 HydrophobicContact CB-CD2 4.37Å; C162-C200 HydrophobicContact CB-CB 3.62Å; C162-C200 VanDerWaalsContact CB-SG 3.56Å
163	L	98.8	Very high	97.6	Very high	37 Å²	37	44.5 Å²	44.5	19%	0.194	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-42.7	175.2	-73.1	173.7	0	0	0	111.5	R159 E160 I165 A166 K167 C200 V204	R159-L163 HydrophobicContact CG-CD1 4.13Å; R159-L163 HydrophobicContact CG-CG 4.43Å; R159-L163 WeakPolarHBondContact O-CG 3.47Å; R159-L163 PolarHBondContact O-N 2.93Å; E160-L163 PolarHBondContact O-N 2.89Å; L163-I165 PolarHBondContact O-N 2.77Å; L163-A166 PolarHBondContact O-N 2.83Å; L163-K167 VanDerWaalsContact O-CB 3.25Å; L163-K167 WeakPolarHBondContact O-CB 3.5Å; L163-K167 PolarHBondContact O-N 3.29Å; L163-C200 HydrophobicContact CD2-CB 3.89Å; L163-C200 HydrophobicContact CG-CB 4.18Å; L163-V204 HydrophobicContact CD2-CG2 3.77Å
164	R	98.6	Very high	98	Very high	57 Å²	57	44.5 Å²	44.5	22%	0.215	22%	0.216	C	C	.	.	H	α-helix	trans	-57.6	-50	178.9	-176.5	170.5	71.5	169.5	3.6	112.3	D105 F107 E160 K161 C162 Y168	D105-R164 IonicContact OD1-CZ 2.6Å; D105-R164 IonicContact OD1-NH1 2.7Å; D105-R164 PolarHBondContact OD1-NH1 2.85Å; D105-R164 IonicContact OD1-NH2 2.75Å; D105-R164 PolarHBondContact OD1-NH2 2.83Å; D105-R164 IonicContact OD2-CZ 3.59Å; D105-R164 IonicContact OD2-NH1 3.45Å; D105-R164 PolarHBondContact OD2-NH1 2.93Å; D105-R164 IonicContact OD2-NH2 2.71Å; F107-R164 HydrophobicContact CD2-CG 3.89Å; F107-R164 HydrophobicContact CE2-CG 3.86Å; F107-R164 HydrophobicContact CG-CG 4.44Å; F107-R164 HydrophobicContact CZ-CG 4.4Å; E160-R164 WeakPolarHBondContact O-CB 3.37Å; E160-R164 PolarHBondContact O-N 3.03Å; K161-R164 PolarHBondContact O-N 2.88Å; C162-R164 VanDerWaalsContact C-N 3.35Å; R164-Y168 WeakPolarHBondContact O-CB 3.4Å; R164-Y168 PolarHBondContact O-N 3.14Å
165	I	98.7	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-72.6	-35.7	-179	-165.4	65.2	0	0	0	112.3	F107 A108 I131 E133 K161 C162 L163 Y168 A169 F197 V236	F107-I165 HydrophobicContact CD2-CD1 4.24Å; F107-I165 HydrophobicContact CE2-CD1 4.45Å; A108-I165 HydrophobicContact CB-CD1 3.6Å; I131-I165 HydrophobicContact CG2-CD1 3.67Å; I131-I165 HydrophobicContact CG2-CG1 4.14Å; E133-I165 HydrophobicContact CB-CB 4.11Å; E133-I165 HydrophobicContact CB-CG1 3.92Å; E133-I165 HydrophobicContact CB-CG2 4.02Å; E133-I165 HydrophobicContact CG-CB 3.99Å; E133-I165 HydrophobicContact CG-CG1 4.31Å; E133-I165 HydrophobicContact CG-CG2 3.98Å; K161-I165 WeakPolarHBondContact O-CG2 3.35Å; K161-I165 PolarHBondContact O-N 2.8Å; C162-I165 WeakPolarHBondContact O-CG2 3.42Å; L163-I165 PolarHBondContact O-N 2.77Å; I165-Y168 PolarHBondContact O-N 3.22Å; I165-A169 WeakPolarHBondContact O-CB 3.47Å; I165-A169 PolarHBondContact O-N 2.89Å; I165-F197 HydrophobicContact CG2-CE2 3.89Å; I165-V236 HydrophobicContact CG1-CG2 4.02Å; I165-V236 HydrophobicContact CG2-CG2 4.46Å
166	A	98.8	Very high	98.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-52.3	175	0	0	0	0	0	110.3	C162 L163 Y168 A169 F170 C201 V204	C162-A166 VanDerWaalsContact O-CB 3.23Å; C162-A166 WeakPolarHBondContact O-CB 3.34Å; C162-A166 PolarHBondContact O-N 2.83Å; L163-A166 PolarHBondContact O-N 2.83Å; A166-Y168 VanDerWaalsContact C-N 3.29Å; A166-Y168 PolarHBondContact O-N 2.81Å; A166-A169 WeakPolarHBondContact O-CB 3.41Å; A166-A169 PolarHBondContact O-N 2.82Å; A166-F170 WeakPolarHBondContact O-CD2 3.45Å; A166-F170 PolarHBondContact O-N 3.24Å; A166-C201 HydrophobicContact CB-CB 4.49Å; A166-V204 HydrophobicContact CB-CB 4.05Å; A166-V204 HydrophobicContact CB-CG1 4.34Å; A166-V204 HydrophobicContact CB-CG2 3.77Å
167	K	98.7	Very high	98.3	Very high	67 Å²	67	51.5 Å²	51.5	29%	0.291	26%	0.258	S	S	.	.	H	α-helix	trans	-55.4	-46.1	176.9	-171.8	67.1	170.8	73.2	0	111.5	L163 A169 F170 D171 V204 E207 Y208	L163-K167 VanDerWaalsContact O-CB 3.25Å; L163-K167 WeakPolarHBondContact O-CB 3.5Å; L163-K167 PolarHBondContact O-N 3.29Å; K167-A169 VanDerWaalsContact C-N 3.32Å; K167-A169 PolarHBondContact O-N 2.84Å; K167-F170 PolarHBondContact O-N 3Å; K167-D171 IonicContact NZ-OD1 3.91Å; K167-D171 PolarHBondContact NZ-OD1 2.91Å; K167-D171 IonicContact NZ-OD2 3.48Å; K167-D171 PolarHBondContact NZ-OD2 3.04Å; K167-D171 WeakPolarHBondContact O-CB 3.3Å; K167-D171 PolarHBondContact O-N 2.88Å; K167-V204 HydrophobicContact CB-CG1 4.39Å; K167-V204 HydrophobicContact CD-CG1 4.19Å; K167-E207 WeakPolarHBondContact CE-OE2 3.11Å; K167-Y208 HydrophobicContact CD-CE2 4.2Å; K167-Y208 WeakPolarHBondContact CD-OH 3.38Å; K167-Y208 WeakPolarHBondContact CE-OH 3.3Å; K167-Y208 PolarHBondContact NZ-OH 2.62Å
168	Y	98.7	Very high	98.3	Very high	47 Å²	47	52.1 Å²	52.1	18%	0.184	26%	0.257	C	S	.	.	H	α-helix	trans	-57.6	-43.2	174.8	-176.5	-88.6	0	0	0	112.5	F107 A108 V110 I131 R164 I165 A166 F172 V264	F107-Y168 AromaticContact CE2-CD2 3.96Å; F107-Y168 HydrophobicContact CE2-CD2 3.96Å; F107-Y168 AromaticContact CE2-CG 3.96Å; F107-Y168 HydrophobicContact CE2-CG 3.96Å; F107-Y168 AromaticContact CZ-CD2 3.68Å; F107-Y168 HydrophobicContact CZ-CD2 3.68Å; F107-Y168 HydrophobicContact CZ-CE2 4.26Å; F107-Y168 HydrophobicContact CZ-CG 4.18Å; A108-Y168 HydrophobicContact CB-CD1 3.81Å; A108-Y168 HydrophobicContact CB-CE1 3.8Å; A108-Y168 HydrophobicContact CB-CE2 4.47Å; A108-Y168 HydrophobicContact CB-CG 4.19Å; V110-Y168 HydrophobicContact CG2-CE1 3.62Å; I131-Y168 HydrophobicContact CD1-CD1 4.32Å; I131-Y168 HydrophobicContact CD1-CE1 4.31Å; I131-Y168 HydrophobicContact CG2-CD1 3.87Å; I131-Y168 HydrophobicContact CG2-CE1 4.27Å; R164-Y168 WeakPolarHBondContact O-CB 3.4Å; R164-Y168 PolarHBondContact O-N 3.14Å; I165-Y168 PolarHBondContact O-N 3.22Å; A166-Y168 VanDerWaalsContact C-N 3.29Å; A166-Y168 PolarHBondContact O-N 2.81Å; Y168-F172 HydrophobicContact CE1-CB 4.47Å; Y168-F172 HydrophobicContact CE1-CD2 4.32Å; Y168-F172 WeakPolarHBondContact O-CB 3.39Å; Y168-F172 PolarHBondContact O-N 3.12Å; Y168-V264 HydrophobicContact CE2-CG1 4.17Å
169	A	98.9	Very high	98.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-40.8	-179.7	0	0	0	0	0	113.2	I131 I165 A166 K167 F172 A173 V234 V236	I131-A169 HydrophobicContact CB-CB 4.4Å; I131-A169 HydrophobicContact CD1-CB 3.87Å; I131-A169 HydrophobicContact CG2-CB 4.17Å; I165-A169 WeakPolarHBondContact O-CB 3.47Å; I165-A169 PolarHBondContact O-N 2.89Å; A166-A169 WeakPolarHBondContact O-CB 3.41Å; A166-A169 PolarHBondContact O-N 2.82Å; K167-A169 VanDerWaalsContact C-N 3.32Å; K167-A169 PolarHBondContact O-N 2.84Å; A169-F172 PolarHBondContact O-N 2.59Å; A169-A173 WeakPolarHBondContact O-CB 3.33Å; A169-A173 PolarHBondContact O-N 2.8Å; A169-V234 HydrophobicContact CB-CG1 4.48Å; A169-V236 HydrophobicContact CB-CB 3.71Å; A169-V236 HydrophobicContact CB-CG1 4.36Å; A169-V236 HydrophobicContact CB-CG2 3.7Å
170	F	98.9	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.6	-41.8	176.4	-80.2	-87.2	0	0	0	112.6	A166 K167 F172 A173 S174 V181 V204 Y208 I211 F213	A166-F170 WeakPolarHBondContact O-CD2 3.45Å; A166-F170 PolarHBondContact O-N 3.24Å; K167-F170 PolarHBondContact O-N 3Å; F170-F172 VanDerWaalsContact C-N 3.3Å; F170-F172 PolarHBondContact O-N 2.87Å; F170-A173 PolarHBondContact O-N 3.28Å; F170-S174 PolarHBondContact O-N 3.05Å; F170-V181 HydrophobicContact CD1-CB 4.39Å; F170-V181 HydrophobicContact CD1-CG2 4Å; F170-V181 HydrophobicContact CD2-CG1 4.42Å; F170-V181 HydrophobicContact CE1-CB 3.94Å; F170-V181 HydrophobicContact CE1-CG1 4.42Å; F170-V181 HydrophobicContact CE1-CG2 4.05Å; F170-V181 HydrophobicContact CE2-CB 4.4Å; F170-V181 HydrophobicContact CE2-CG1 3.98Å; F170-V181 HydrophobicContact CG-CG2 4.33Å; F170-V181 HydrophobicContact CZ-CB 3.94Å; F170-V181 HydrophobicContact CZ-CG1 3.97Å; F170-V181 HydrophobicContact CZ-CG2 4.41Å; F170-V204 HydrophobicContact CB-CG1 4.25Å; F170-V204 HydrophobicContact CD2-CB 4.34Å; F170-V204 HydrophobicContact CD2-CG1 3.55Å; F170-V204 HydrophobicContact CE2-CG1 4.18Å; F170-V204 HydrophobicContact CG-CG1 4.09Å; F170-Y208 HydrophobicContact CB-CD1 4.03Å; F170-Y208 HydrophobicContact CB-CD2 3.59Å; F170-Y208 HydrophobicContact CB-CE1 3.85Å; F170-Y208 HydrophobicContact CB-CE2 3.42Å; F170-Y208 VanDerWaalsContact CB-CE2 3.42Å; F170-Y208 HydrophobicContact CB-CG 3.88Å; F170-Y208 AromaticContact CD1-CD2 3.84Å; F170-Y208 HydrophobicContact CD1-CD2 3.84Å; F170-Y208 AromaticContact CD1-CG 3.83Å; F170-Y208 HydrophobicContact CD1-CG 3.83Å; F170-Y208 AromaticContact CG-CD2 3.84Å; F170-Y208 HydrophobicContact CG-CD2 3.84Å; F170-Y208 HydrophobicContact CG-CE2 4.09Å; F170-Y208 HydrophobicContact CG-CG 4.18Å; F170-I211 HydrophobicContact CD1-CB 4.23Å; F170-I211 HydrophobicContact CD1-CD1 4.16Å; F170-I211 HydrophobicContact CD1-CG2 3.88Å; F170-I211 HydrophobicContact CE1-CB 4.31Å; F170-I211 HydrophobicContact CE1-CG2 3.78Å; F170-F213 HydrophobicContact CE2-CD2 4.4Å; F170-F213 HydrophobicContact CZ-CB 4.17Å; F170-F213 AromaticContact CZ-CD2 3.7Å; F170-F213 HydrophobicContact CZ-CD2 3.7Å; F170-F213 HydrophobicContact CZ-CE2 4.44Å; F170-F213 HydrophobicContact CZ-CG 4.17Å
171	D	98.6	Very high	98.4	Very high	66 Å²	66	41.7 Å²	41.7	35%	0.353	22%	0.217	S	C	.	.	H	α-helix	trans	-59	-43.8	171	-78.1	-29.6	0	0	0	111	K167 S174 V175 Y208	K167-D171 IonicContact NZ-OD1 3.91Å; K167-D171 PolarHBondContact NZ-OD1 2.91Å; K167-D171 IonicContact NZ-OD2 3.48Å; K167-D171 PolarHBondContact NZ-OD2 3.04Å; K167-D171 WeakPolarHBondContact O-CB 3.3Å; K167-D171 PolarHBondContact O-N 2.88Å; D171-S174 PolarHBondContact O-N 2.8Å; D171-V175 WeakPolarHBondContact O-CG2 3.17Å; D171-V175 PolarHBondContact O-N 3.01Å; D171-Y208 PolarHBondContact OD1-OH 3.09Å
172	F	98.5	Very high	98.4	Very high	12 Å²	12	39.8 Å²	39.8	5%	0.053	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-47	176.5	-175.9	-81.8	0	0	0	111.4	V110 Y129 I131 Y168 A169 F170 S174 V175 H176 V234	V110-F172 HydrophobicContact CG1-CE2 3.82Å; V110-F172 HydrophobicContact CG1-CZ 3.9Å; Y129-F172 AromaticContact CD1-CE1 3.83Å; Y129-F172 HydrophobicContact CD1-CE1 3.83Å; Y129-F172 AromaticContact CD1-CZ 3.67Å; Y129-F172 HydrophobicContact CD1-CZ 3.67Å; Y129-F172 AromaticContact CD2-CE1 3.69Å; Y129-F172 HydrophobicContact CD2-CE1 3.69Å; Y129-F172 HydrophobicContact CD2-CZ 4.28Å; Y129-F172 HydrophobicContact CE1-CE1 4.18Å; Y129-F172 AromaticContact CE1-CZ 3.78Å; Y129-F172 HydrophobicContact CE1-CZ 3.78Å; Y129-F172 HydrophobicContact CE2-CE1 4.01Å; Y129-F172 HydrophobicContact CE2-CZ 4.35Å; Y129-F172 AromaticContact CG-CE1 3.56Å; Y129-F172 HydrophobicContact CG-CE1 3.56Å; Y129-F172 AromaticContact CG-CZ 3.94Å; Y129-F172 HydrophobicContact CG-CZ 3.94Å; I131-F172 HydrophobicContact CD1-CB 3.82Å; I131-F172 HydrophobicContact CD1-CD1 3.84Å; I131-F172 HydrophobicContact CD1-CD2 4.45Å; I131-F172 HydrophobicContact CD1-CG 3.78Å; Y168-F172 HydrophobicContact CE1-CB 4.47Å; Y168-F172 HydrophobicContact CE1-CD2 4.32Å; Y168-F172 WeakPolarHBondContact O-CB 3.39Å; Y168-F172 PolarHBondContact O-N 3.12Å; A169-F172 PolarHBondContact O-N 2.59Å; F170-F172 VanDerWaalsContact C-N 3.3Å; F170-F172 PolarHBondContact O-N 2.87Å; F172-S174 VanDerWaalsContact C-N 3.33Å; F172-S174 PolarHBondContact O-N 3.18Å; F172-V175 PolarHBondContact O-N 3.38Å; F172-H176 AromaticContact CD1-ND1 3.74Å; F172-H176 AromaticContact CD2-CE1 3.5Å; F172-H176 VanDerWaalsContact CD2-CE1 3.5Å; F172-H176 WeakPolarHBondContact CD2-CE1 3.37Å; F172-H176 AromaticContact CD2-ND1 3.71Å; F172-H176 HydrophobicContact CE1-CB 4.28Å; F172-H176 AromaticContact CE1-CG 3.82Å; F172-H176 AromaticContact CE1-ND1 3.67Å; F172-H176 AromaticContact CE2-CE1 3.21Å; F172-H176 WeakPolarHBondContact CE2-CE1 3.44Å; F172-H176 AromaticContact CE2-ND1 3.65Å; F172-H176 AromaticContact CE2-NE2 3.66Å; F172-H176 AromaticContact CG-ND1 3.74Å; F172-H176 AromaticContact CZ-CD2 3.88Å; F172-H176 AromaticContact CZ-CE1 3.5Å; F172-H176 VanDerWaalsContact CZ-CE1 3.5Å; F172-H176 WeakPolarHBondContact CZ-CE1 3.29Å; F172-H176 AromaticContact CZ-CG 3.86Å; F172-H176 AromaticContact CZ-ND1 3.62Å; F172-H176 AromaticContact CZ-NE2 3.66Å; F172-H176 WeakPolarHBondContact O-CB 3.28Å; F172-H176 PolarHBondContact O-N 2.88Å; F172-H176 PolarHBondContact O-ND1 3.18Å; F172-V234 HydrophobicContact CD1-CG2 4.35Å
173	A	98.7	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.7	-45.5	177.1	0	0	0	0	0	111.4	A169 F170 H176 N177 R178 V181 I211 V234	A169-A173 WeakPolarHBondContact O-CB 3.33Å; A169-A173 PolarHBondContact O-N 2.8Å; F170-A173 PolarHBondContact O-N 3.28Å; A173-H176 CarbonylContact O-C 3.54Å; A173-H176 PolarHBondContact O-N 3.28Å; A173-N177 PolarHBondContact O-N 3.47Å; A173-N177 VanDerWaalsContact O-N 3.13Å; A173-R178 HydrophobicContact CB-CB 4.05Å; A173-R178 PolarHBondContact O-N 2.83Å; A173-V181 HydrophobicContact CB-CG2 3.72Å; A173-I211 HydrophobicContact CB-CD1 3.9Å; A173-V234 HydrophobicContact CB-CB 4.42Å; A173-V234 HydrophobicContact CB-CG2 3.93Å
174	S	98.2	Very high	98.4	Very high	68 Å²	68	37.8 Å²	37.8	48%	0.476	20%	0.198	S	C	.	.	H	α-helix	trans	-60.2	-50.7	176.9	-176.1	0	0	0	0	112.3	F170 D171 F172 H176 N177	F170-S174 PolarHBondContact O-N 3.05Å; D171-S174 PolarHBondContact O-N 2.8Å; F172-S174 VanDerWaalsContact C-N 3.33Å; F172-S174 PolarHBondContact O-N 3.18Å; S174-H176 VanDerWaalsContact C-N 3.27Å; S174-H176 PolarHBondContact O-N 2.75Å; S174-N177 PolarHBondContact O-N 2.81Å
175	V	97.3	Very high	98.4	Very high	109 Å²	109	35.4 Å²	35.4	66%	0.661	19%	0.189	S	C	*	.	H	α-helix	trans	-62.9	-32.8	-179.7	170.1	0	0	0	0	112.4	D171 F172	D171-V175 WeakPolarHBondContact O-CG2 3.17Å; D171-V175 PolarHBondContact O-N 3.01Å; F172-V175 PolarHBondContact O-N 3.38Å
176	H	96.9	Very high	98.4	Very high	72 Å²	72	37.3 Å²	37.3	33%	0.333	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	14	-177.9	-63	77.2	0	0	0	113.4	F172 A173 S174 R178	F172-H176 AromaticContact CD1-ND1 3.74Å; F172-H176 AromaticContact CD2-CE1 3.5Å; F172-H176 VanDerWaalsContact CD2-CE1 3.5Å; F172-H176 WeakPolarHBondContact CD2-CE1 3.37Å; F172-H176 AromaticContact CD2-ND1 3.71Å; F172-H176 HydrophobicContact CE1-CB 4.28Å; F172-H176 AromaticContact CE1-CG 3.82Å; F172-H176 AromaticContact CE1-ND1 3.67Å; F172-H176 AromaticContact CE2-CE1 3.21Å; F172-H176 WeakPolarHBondContact CE2-CE1 3.44Å; F172-H176 AromaticContact CE2-ND1 3.65Å; F172-H176 AromaticContact CE2-NE2 3.66Å; F172-H176 AromaticContact CG-ND1 3.74Å; F172-H176 AromaticContact CZ-CD2 3.88Å; F172-H176 AromaticContact CZ-CE1 3.5Å; F172-H176 VanDerWaalsContact CZ-CE1 3.5Å; F172-H176 WeakPolarHBondContact CZ-CE1 3.29Å; F172-H176 AromaticContact CZ-CG 3.86Å; F172-H176 AromaticContact CZ-ND1 3.62Å; F172-H176 AromaticContact CZ-NE2 3.66Å; F172-H176 WeakPolarHBondContact O-CB 3.28Å; F172-H176 PolarHBondContact O-N 2.88Å; F172-H176 PolarHBondContact O-ND1 3.18Å; A173-H176 CarbonylContact O-C 3.54Å; A173-H176 PolarHBondContact O-N 3.28Å; S174-H176 VanDerWaalsContact C-N 3.27Å; S174-H176 PolarHBondContact O-N 2.75Å; H176-R178 VanDerWaalsContact C-N 3.27Å; H176-R178 HydrophobicContact CB-CG 4.27Å; H176-R178 PolarHBondContact O-N 3.03Å
177	N	97.3	Very high	98.3	Very high	149 Å²	149	38.1 Å²	38.1	80%	0.797	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	43.1	179.9	-55.3	-64.5	0	0	0	113	A173 S174	A173-N177 PolarHBondContact O-N 3.47Å; A173-N177 VanDerWaalsContact O-N 3.13Å; S174-N177 PolarHBondContact O-N 2.81Å
178	R	98.2	Very high	98.2	Very high	47 Å²	47	39 Å²	39	18%	0.177	21%	0.212	C	C	.	.			trans	-96.8	138.1	173.1	-59.1	-63.1	-171.7	175.7	-1.1	109.4	D127 Y129 A173 H176 E233 V234	D127-R178 PolarHBondContact O-NH1 3.33Å; D127-R178 IonicContact OD1-NH2 3.44Å; D127-R178 PolarHBondContact OD1-NH2 3.25Å; D127-R178 IonicContact OD2-CZ 3.77Å; D127-R178 IonicContact OD2-NH1 2.71Å; D127-R178 PolarHBondContact OD2-NH1 3.12Å; D127-R178 IonicContact OD2-NH2 3.93Å; D127-R178 PolarHBondContact OD2-NH2 3.22Å; Y129-R178 VanDerWaalsContact CE2-NH2 3.32Å; A173-R178 HydrophobicContact CB-CB 4.05Å; A173-R178 PolarHBondContact O-N 2.83Å; H176-R178 VanDerWaalsContact C-N 3.27Å; H176-R178 HydrophobicContact CB-CG 4.27Å; H176-R178 PolarHBondContact O-N 3.03Å; R178-E233 VanDerWaalsContact CA-OE2 3.24Å; R178-E233 WeakPolarHBondContact CA-OE2 3.43Å; R178-E233 HydrophobicContact CB-CB 4.44Å; R178-E233 WeakPolarHBondContact CB-OE2 3.46Å; R178-V234 HydrophobicContact CB-CG2 3.78Å; R178-V234 HydrophobicContact CG-CG2 3.76Å
179	S	98.2	Very high	98.1	Very high	68 Å²	68	42.6 Å²	42.6	48%	0.476	23%	0.233	S	C	.	.			trans	-96.2	-7.9	-175.9	35.1	0	0	0	0	114	I211 E212 E233	S179-I211 CarbonylContact O-C 3.48Å; S179-I211 WeakPolarHBondContact O-CA 3.13Å; S179-E212 PolarHBondContact O-N 2.96Å; S179-E233 PolarHBondContact N-OE2 2.95Å; S179-E233 PolarHBondContact OG-OE1 3.03Å; S179-E233 PolarHBondContact OG-OE2 2.96Å
180	K	98.8	Very high	97.9	Very high	31 Å²	31	45.4 Å²	45.4	14%	0.135	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	133.4	-172.7	-178.1	171.8	-179.4	143.6	0	113.8	E212 N214 E233 V234	K180-E212 CarbonylContact C-O 3.5Å; K180-E212 WeakPolarHBondContact CA-O 3.46Å; K180-E212 HydrophobicContact CB-CB 4.34Å; K180-E212 WeakPolarHBondContact CE-OE1 3.39Å; K180-E212 HydrophobicContact CG-CB 4.31Å; K180-E212 IonicContact NZ-OE1 2.75Å; K180-E212 PolarHBondContact NZ-OE1 3.41Å; K180-E212 IonicContact NZ-OE2 3.86Å; K180-N214 WeakPolarHBondContact CE-ND2 3.49Å; K180-N214 PolarHBondContact NZ-ND2 2.73Å; K180-E233 HydrophobicContact CB-CB 4.23Å; K180-E233 HydrophobicContact CB-CG 4.33Å; K180-V234 PolarHBondContact O-N 3.39Å; K180-V234 VanDerWaalsContact O-N 3.13Å
181	V	98.9	Very high	97.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	123.4	171.1	176	0	0	0	0	109.8	F170 A173 I211 E212 N214 V234 V236	F170-V181 HydrophobicContact CD1-CB 4.39Å; F170-V181 HydrophobicContact CD1-CG2 4Å; F170-V181 HydrophobicContact CD2-CG1 4.42Å; F170-V181 HydrophobicContact CE1-CB 3.94Å; F170-V181 HydrophobicContact CE1-CG1 4.42Å; F170-V181 HydrophobicContact CE1-CG2 4.05Å; F170-V181 HydrophobicContact CE2-CB 4.4Å; F170-V181 HydrophobicContact CE2-CG1 3.98Å; F170-V181 HydrophobicContact CG-CG2 4.33Å; F170-V181 HydrophobicContact CZ-CB 3.94Å; F170-V181 HydrophobicContact CZ-CG1 3.97Å; F170-V181 HydrophobicContact CZ-CG2 4.41Å; A173-V181 HydrophobicContact CB-CG2 3.72Å; V181-I211 HydrophobicContact CB-CG2 4.17Å; V181-I211 HydrophobicContact CG2-CG2 3.7Å; V181-E212 PolarHBondContact N-O 3.45Å; V181-N214 PolarHBondContact O-N 3.49Å; V181-N214 VanDerWaalsContact O-N 3.14Å; V181-V234 CarbonylContact C-O 3.6Å; V181-V234 VanDerWaalsContact CA-O 3.31Å; V181-V234 WeakPolarHBondContact CA-O 3.33Å; V181-V234 HydrophobicContact CG2-CB 4.1Å; V181-V234 HydrophobicContact CG2-CG1 4.24Å; V181-V236 HydrophobicContact CG1-CG1 3.9Å
182	T	98.9	Very high	97.8	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.1	175.7	-58.2	0	0	0	0	111	V184 N214 L216 F232 V234 M235 V236	T182-V184 HydrophobicContact CG2-CG2 4.42Å; T182-N214 CarbonylContact C-O 3.58Å; T182-N214 WeakPolarHBondContact CA-O 3.4Å; T182-N214 VanDerWaalsContact CA-OD1 3.29Å; T182-N214 WeakPolarHBondContact CA-OD1 3.5Å; T182-N214 WeakPolarHBondContact CB-OD1 3.31Å; T182-N214 WeakPolarHBondContact CG2-OD1 3.35Å; T182-N214 PolarHBondContact OG1-OD1 3.28Å; T182-L216 HydrophobicContact CG2-CB 4.35Å; T182-L216 HydrophobicContact CG2-CD1 4.09Å; T182-L216 HydrophobicContact CG2-CG 4.01Å; T182-F232 HydrophobicContact CG2-CE1 4.36Å; T182-V234 PolarHBondContact N-O 3.36Å; T182-M235 CarbonylContact O-C 3.15Å; T182-M235 VanDerWaalsContact O-CA 3.31Å; T182-M235 WeakPolarHBondContact O-CA 3.38Å; T182-V236 PolarHBondContact O-N 3.49Å
183	A	98.9	Very high	97.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.7	170.7	0	0	0	0	0	111.3	F197 L198 C201 F213 N214 N215 L216 V236	A183-F197 HydrophobicContact CB-CE1 4.16Å; A183-L198 HydrophobicContact CB-CD1 4.3Å; A183-C201 HydrophobicContact CB-CB 4.1Å; A183-F213 HydrophobicContact CB-CE2 3.73Å; A183-F213 HydrophobicContact CB-CZ 4.07Å; A183-N214 PolarHBondContact N-O 2.96Å; A183-N215 HydrophobicContact CB-CB 4.24Å; A183-N215 CarbonylContact O-C 3.55Å; A183-N215 WeakPolarHBondContact O-CA 3.44Å; A183-N215 WeakPolarHBondContact O-CB 3.33Å; A183-L216 PolarHBondContact O-N 3Å; A183-V236 CarbonylContact C-O 3.57Å; A183-V236 WeakPolarHBondContact CA-O 3.41Å; A183-V236 HydrophobicContact CB-CG1 4.14Å
184	V	98.8	Very high	97.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.1	178	-172.6	0	0	0	0	110.8	T182 L216 I218 C221 M235 V236 M237 P238	T182-V184 HydrophobicContact CG2-CG2 4.42Å; V184-L216 WeakPolarHBondContact CA-O 3.46Å; V184-I218 HydrophobicContact CG1-CB 4Å; V184-I218 HydrophobicContact CG1-CD1 3.69Å; V184-I218 HydrophobicContact CG1-CG1 4.45Å; V184-C221 HydrophobicContact CG1-CB 3.78Å; V184-C221 HydrophobicContact CG2-CB 4.33Å; V184-M235 HydrophobicContact CG2-CE 3.78Å; V184-V236 PolarHBondContact N-O 3.45Å; V184-M237 HydrophobicContact CB-CB 3.92Å; V184-M237 HydrophobicContact CB-CE 4.05Å; V184-M237 HydrophobicContact CB-SD 4.29Å; V184-M237 HydrophobicContact CG2-CE 3.7Å; V184-P238 WeakPolarHBondContact O-CD 3.44Å
185	H	98.4	Very high	97.7	Very high	8 Å²	8	55 Å²	55	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	-177.8	-171.7	64.4	88.2	0	0	0	113.7	A187 D194 F197 N215 L216 I217 I218	H185-A187 VanDerWaalsContact ND1-CB 3.32Å; H185-A187 WeakPolarHBondContact ND1-CB 3.48Å; H185-A187 PolarHBondContact ND1-N 3.37Å; H185-A187 VanDerWaalsContact ND1-N 3.16Å; H185-D194 HydrophobicContact CB-CB 4.29Å; H185-F197 HydrophobicContact CB-CD1 4.49Å; H185-N215 PolarHBondContact NE2-OD1 3.35Å; H185-N215 VanDerWaalsContact NE2-OD1 3.12Å; H185-L216 PolarHBondContact N-O 3.07Å; H185-I217 CarbonylContact O-C 3.42Å; H185-I217 WeakPolarHBondContact O-CA 3.37Å; H185-I218 PolarHBondContact O-N 3.24Å
186	K	97.7	Very high	97.7	Very high	39 Å²	39	52.4 Å²	52.4	17%	0.17	27%	0.274	C	S	.	.			trans	-136.7	37.1	168.4	-158.8	79.5	-167.5	-174.9	0	111.8	N188 I189 M190 D194 I218 D219 Y241	K186-N188 WeakPolarHBondContact CE-OD1 3.24Å; K186-N188 PolarHBondContact O-N 3.43Å; K186-N188 PolarHBondContact O-OD1 3.05Å; K186-I189 HydrophobicContact CG-CB 4.19Å; K186-I189 HydrophobicContact CG-CG1 4.08Å; K186-I189 PolarHBondContact O-N 3.46Å; K186-M190 HydrophobicContact CB-CE 3.89Å; K186-M190 HydrophobicContact CG-CE 4.45Å; K186-M190 PolarHBondContact O-N 3.3Å; K186-D194 WeakPolarHBondContact CA-OD2 3.39Å; K186-D194 PolarHBondContact N-OD2 3.32Å; K186-I218 HydrophobicContact CB-CG2 4.22Å; K186-I218 HydrophobicContact CD-CG2 3.53Å; K186-I218 HydrophobicContact CG-CG2 4.4Å; K186-D219 IonicContact NZ-OD1 2.68Å; K186-D219 PolarHBondContact NZ-OD1 3.39Å; K186-D219 IonicContact NZ-OD2 2.89Å; K186-D219 PolarHBondContact NZ-OD2 2.9Å; K186-Y241 VanDerWaalsContact CB-OH 3.22Å; K186-Y241 WeakPolarHBondContact CB-OH 3.5Å
187	A	97.1	Very high	97.8	Very high	18 Å²	18	49.1 Å²	49.1	15%	0.149	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.8	177.7	0	0	0	0	0	115.7	H185 I189 D194	H185-A187 VanDerWaalsContact ND1-CB 3.32Å; H185-A187 WeakPolarHBondContact ND1-CB 3.48Å; H185-A187 PolarHBondContact ND1-N 3.37Å; H185-A187 VanDerWaalsContact ND1-N 3.16Å; A187-I189 PolarHBondContact O-N 3.19Å; A187-D194 HydrophobicContact CB-CB 4Å
188	N	95.7	Very high	97.9	Very high	86 Å²	86	43.3 Å²	43.3	46%	0.46	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.3	171.8	66.3	-33.8	0	0	0	113.3	K186	K186-N188 WeakPolarHBondContact CE-OD1 3.24Å; K186-N188 PolarHBondContact O-N 3.43Å; K186-N188 PolarHBondContact O-OD1 3.05Å
189	I	96.9	Very high	97.9	Very high	122 Å²	122	45.6 Å²	45.6	63%	0.626	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-54.4	172.7	-55.9	-57.8	0	0	0	110	K186 A187 K191	K186-I189 HydrophobicContact CG-CB 4.19Å; K186-I189 HydrophobicContact CG-CG1 4.08Å; K186-I189 PolarHBondContact O-N 3.46Å; A187-I189 PolarHBondContact O-N 3.19Å; I189-K191 PolarHBondContact O-N 3.09Å
190	M	96.2	Very high	97.9	Very high	59 Å²	59	42.4 Å²	42.4	29%	0.291	22%	0.221	S	C	.	.			trans	-93.4	72.9	-177.8	-73.8	174.2	-76	0	0	111.4	K155 K186 L192 D194 G195 Y241	K155-M190 HydrophobicContact CD-SD 3.53Å; K155-M190 VanDerWaalsContact CD-SD 3.53Å; K186-M190 HydrophobicContact CB-CE 3.89Å; K186-M190 HydrophobicContact CG-CE 4.45Å; K186-M190 PolarHBondContact O-N 3.3Å; M190-L192 VanDerWaalsContact C-N 3.26Å; M190-L192 PolarHBondContact O-N 3.21Å; M190-D194 HydrophobicContact CB-CB 4.06Å; M190-D194 WeakPolarHBondContact O-CB 3.4Å; M190-D194 PolarHBondContact O-N 3.16Å; M190-G195 PolarHBondContact O-N 3.02Å; M190-Y241 WeakPolarHBondContact CE-OH 3.17Å
191	K	96.8	Very high	97.9	Very high	163 Å²	163	40.9 Å²	40.9	71%	0.709	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.5	-174.1	-62.7	-176.4	-179.6	-178	0	114.2	I189 G195	I189-K191 PolarHBondContact O-N 3.09Å; K191-G195 VanDerWaalsContact O-CA 3.27Å; K191-G195 WeakPolarHBondContact O-CA 3.36Å; K191-G195 PolarHBondContact O-N 2.96Å
192	L	97.5	Very high	97.9	Very high	154 Å²	154	45.7 Å²	45.7	81%	0.806	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-58.1	-178.9	-61.6	-179.7	0	0	0	111.9	M190 L196	M190-L192 VanDerWaalsContact C-N 3.26Å; M190-L192 PolarHBondContact O-N 3.21Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 PolarHBondContact O-N 3.1Å
193	G	96.3	Very high	97.9	Very high	20 Å²	20	49.4 Å²	49.4	21%	0.206	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-56.5	-177.2	0	0	0	0	0	112.9	L196 F197	G193-L196 PolarHBondContact O-N 3.33Å; G193-F197 PolarHBondContact O-N 2.98Å; G193-F197 VanDerWaalsContact O-N 3.17Å
194	D	98.2	Very high	97.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-77.2	-26.7	-179.2	-73.8	42.3	0	0	0	112.3	K155 H185 K186 A187 M190 F197 L198 Y241	K155-D194 WeakPolarHBondContact CE-OD1 3.37Å; K155-D194 IonicContact NZ-OD1 3.62Å; K155-D194 PolarHBondContact NZ-OD1 2.69Å; K155-D194 IonicContact NZ-OD2 2.98Å; H185-D194 HydrophobicContact CB-CB 4.29Å; K186-D194 WeakPolarHBondContact CA-OD2 3.39Å; K186-D194 PolarHBondContact N-OD2 3.32Å; A187-D194 HydrophobicContact CB-CB 4Å; M190-D194 HydrophobicContact CB-CB 4.06Å; M190-D194 WeakPolarHBondContact O-CB 3.4Å; M190-D194 PolarHBondContact O-N 3.16Å; D194-F197 PolarHBondContact O-N 2.99Å; D194-L198 WeakPolarHBondContact O-CB 3.27Å; D194-L198 PolarHBondContact O-N 3.08Å; D194-Y241 WeakPolarHBondContact OD2-CE2 3.47Å; D194-Y241 VanDerWaalsContact OD2-CZ 3.29Å; D194-Y241 PolarHBondContact OD2-OH 2.9Å
195	G	98.4	Very high	97.9	Very high	10 Å²	10	50.5 Å²	50.5	10%	0.103	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-40.6	170	0	0	0	0	0	112	M190 K191 F197 L198 N199	M190-G195 PolarHBondContact O-N 3.02Å; K191-G195 VanDerWaalsContact O-CA 3.27Å; K191-G195 WeakPolarHBondContact O-CA 3.36Å; K191-G195 PolarHBondContact O-N 2.96Å; G195-F197 PolarHBondContact O-N 3.1Å; G195-L198 PolarHBondContact O-N 2.51Å; G195-N199 WeakPolarHBondContact O-CB 3.29Å; G195-N199 PolarHBondContact O-N 2.8Å; G195-N199 PolarHBondContact O-OD1 3.05Å
196	L	98.7	Very high	97.9	Very high	53 Å²	53	57.4 Å²	57.4	28%	0.277	29%	0.294	S	S	.	.	H	α-helix	trans	-60	-46.3	172.5	176.6	62.1	0	0	0	111.4	V157 R159 L192 G193 L198 N199 C200	V157-L196 HydrophobicContact CG1-CD2 4.37Å; R159-L196 HydrophobicContact CB-CD1 4.14Å; R159-L196 HydrophobicContact CB-CD2 4.37Å; R159-L196 HydrophobicContact CG-CD1 4.2Å; L192-L196 WeakPolarHBondContact O-CB 3.46Å; L192-L196 PolarHBondContact O-N 3.1Å; G193-L196 PolarHBondContact O-N 3.33Å; L196-L198 PolarHBondContact O-N 2.71Å; L196-N199 PolarHBondContact O-N 2.94Å; L196-C200 PolarHBondContact O-N 3.2Å; L196-C200 PolarHBondContact O-SG 2.84Å
197	F	98.8	Very high	97.9	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-46.8	176.2	174.5	-96.5	0	0	0	112	C162 I165 A183 H185 G193 D194 G195 C200 C201 V236 P238	C162-F197 HydrophobicContact CB-CD2 4.37Å; I165-F197 HydrophobicContact CG2-CE2 3.89Å; A183-F197 HydrophobicContact CB-CE1 4.16Å; H185-F197 HydrophobicContact CB-CD1 4.49Å; G193-F197 PolarHBondContact O-N 2.98Å; G193-F197 VanDerWaalsContact O-N 3.17Å; D194-F197 PolarHBondContact O-N 2.99Å; G195-F197 PolarHBondContact O-N 3.1Å; F197-C200 PolarHBondContact O-N 3.26Å; F197-C201 VanDerWaalsContact CZ-SG 3.55Å; F197-C201 PolarHBondContact O-N 3.44Å; F197-C201 PolarHBondContact O-SG 3.43Å; F197-V236 HydrophobicContact CZ-CG1 4.32Å; F197-V236 HydrophobicContact CZ-CG2 4.16Å; F197-P238 HydrophobicContact CD1-CG 4.08Å; F197-P238 HydrophobicContact CD2-CG 4.07Å; F197-P238 HydrophobicContact CE1-CG 4.34Å; F197-P238 HydrophobicContact CE2-CG 4.33Å; F197-P238 HydrophobicContact CG-CG 3.95Å; F197-P238 HydrophobicContact CZ-CG 4.46Å
198	L	98.1	Very high	98	Very high	26 Å²	26	61.7 Å²	61.7	14%	0.136	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-47.6	179.2	-177.7	62.1	0	0	0	111.8	A183 D194 G195 L196 C200 C201 E202 F213 N215	A183-L198 HydrophobicContact CB-CD1 4.3Å; D194-L198 WeakPolarHBondContact O-CB 3.27Å; D194-L198 PolarHBondContact O-N 3.08Å; G195-L198 PolarHBondContact O-N 2.51Å; L196-L198 PolarHBondContact O-N 2.71Å; L198-C200 VanDerWaalsContact C-N 3.3Å; L198-C200 PolarHBondContact O-N 3.37Å; L198-C201 WeakPolarHBondContact O-CB 3.28Å; L198-C201 PolarHBondContact O-N 3.49Å; L198-C201 VanDerWaalsContact O-N 3.1Å; L198-E202 PolarHBondContact O-N 2.88Å; L198-F213 HydrophobicContact CD1-CZ 4.21Å; L198-N215 HydrophobicContact CD1-CB 3.51Å
199	N	98.7	Very high	98	Very high	95 Å²	95	63.1 Å²	63.1	51%	0.508	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-39.9	178.1	-66.6	-5.6	0	0	0	111.7	G195 L196 E202 E203	G195-N199 WeakPolarHBondContact O-CB 3.29Å; G195-N199 PolarHBondContact O-N 2.8Å; G195-N199 PolarHBondContact O-OD1 3.05Å; L196-N199 PolarHBondContact O-N 2.94Å; N199-E202 PolarHBondContact O-N 3.45Å; N199-E203 WeakPolarHBondContact O-CB 3.46Å; N199-E203 PolarHBondContact O-N 2.98Å
200	C	98.8	Very high	98.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.007	33%	0.334	C	S	.	.	H	α-helix	trans	-66.1	-38	175.9	-65.3	0	0	0	0	112	C162 L163 L196 F197 L198 V204	C162-C200 HydrophobicContact CB-CB 3.62Å; C162-C200 VanDerWaalsContact CB-SG 3.56Å; L163-C200 HydrophobicContact CD2-CB 3.89Å; L163-C200 HydrophobicContact CG-CB 4.18Å; L196-C200 PolarHBondContact O-N 3.2Å; L196-C200 PolarHBondContact O-SG 2.84Å; F197-C200 PolarHBondContact O-N 3.26Å; L198-C200 VanDerWaalsContact C-N 3.3Å; L198-C200 PolarHBondContact O-N 3.37Å; C200-V204 VanDerWaalsContact O-CG2 3.26Å; C200-V204 WeakPolarHBondContact O-CG2 3.28Å; C200-V204 PolarHBondContact O-N 2.85Å
201	C	98.8	Very high	98.2	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-66.3	-40.3	175.7	-65.5	0	0	0	0	111.8	A166 A183 F197 L198 S205 F213	A166-C201 HydrophobicContact CB-CB 4.49Å; A183-C201 HydrophobicContact CB-CB 4.1Å; F197-C201 VanDerWaalsContact CZ-SG 3.55Å; F197-C201 PolarHBondContact O-N 3.44Å; F197-C201 PolarHBondContact O-SG 3.43Å; L198-C201 WeakPolarHBondContact O-CB 3.28Å; L198-C201 PolarHBondContact O-N 3.49Å; L198-C201 VanDerWaalsContact O-N 3.1Å; C201-S205 WeakPolarHBondContact O-CB 3.48Å; C201-S205 PolarHBondContact O-N 3.14Å; C201-F213 HydrophobicContact CB-CE2 3.76Å; C201-F213 HydrophobicContact CB-CZ 3.71Å
202	E	98.6	Very high	98.3	Very high	101 Å²	101	60 Å²	60	47%	0.472	31%	0.314	S	S	.	.	H	α-helix	trans	-64.7	-47.6	176	-170.6	168	-160.2	0	0	111.1	L198 N199 V204 S205 E206 F213	L198-E202 PolarHBondContact O-N 2.88Å; N199-E202 PolarHBondContact O-N 3.45Å; E202-V204 PolarHBondContact O-N 3.19Å; E202-S205 WeakPolarHBondContact O-CB 3.35Å; E202-S205 PolarHBondContact O-N 2.89Å; E202-S205 PolarHBondContact O-OG 3.34Å; E202-E206 PolarHBondContact O-N 2.89Å; E202-F213 HydrophobicContact CB-CE1 3.82Å; E202-F213 HydrophobicContact CB-CZ 4.41Å; E202-F213 HydrophobicContact CG-CE1 4.18Å
203	E	98.7	Very high	98.3	Very high	78 Å²	78	54.8 Å²	54.8	36%	0.364	29%	0.285	S	S	.	.	H	α-helix	trans	-55.3	-48.5	174.7	-178.8	179.8	155.2	0	0	111.8	R159 N199 S205 E206	R159-E203 IonicContact CZ-OE1 3.1Å; R159-E203 IonicContact CZ-OE2 3.64Å; R159-E203 IonicContact NH2-OE1 3.09Å; R159-E203 PolarHBondContact NH2-OE1 3.1Å; R159-E203 IonicContact NH2-OE2 2.71Å; R159-E203 PolarHBondContact NH2-OE2 3.04Å; N199-E203 WeakPolarHBondContact O-CB 3.46Å; N199-E203 PolarHBondContact O-N 2.98Å; E203-S205 VanDerWaalsContact C-N 3.29Å; E203-S205 PolarHBondContact O-N 3.38Å; E203-E206 WeakPolarHBondContact O-CB 3.41Å; E203-E206 PolarHBondContact O-N 2.94Å
204	V	98.8	Very high	98.4	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-64.1	-35.4	176.4	172.2	0	0	0	0	111.5	L163 A166 K167 F170 C200 E202 E206 E207 Y208	L163-V204 HydrophobicContact CD2-CG2 3.77Å; A166-V204 HydrophobicContact CB-CB 4.05Å; A166-V204 HydrophobicContact CB-CG1 4.34Å; A166-V204 HydrophobicContact CB-CG2 3.77Å; K167-V204 HydrophobicContact CB-CG1 4.39Å; K167-V204 HydrophobicContact CD-CG1 4.19Å; F170-V204 HydrophobicContact CB-CG1 4.25Å; F170-V204 HydrophobicContact CD2-CB 4.34Å; F170-V204 HydrophobicContact CD2-CG1 3.55Å; F170-V204 HydrophobicContact CE2-CG1 4.18Å; F170-V204 HydrophobicContact CG-CG1 4.09Å; C200-V204 VanDerWaalsContact O-CG2 3.26Å; C200-V204 WeakPolarHBondContact O-CG2 3.28Å; C200-V204 PolarHBondContact O-N 2.85Å; E202-V204 PolarHBondContact O-N 3.19Å; V204-E206 PolarHBondContact O-N 2.83Å; V204-E207 WeakPolarHBondContact O-CB 3.45Å; V204-E207 PolarHBondContact O-N 2.89Å; V204-Y208 HydrophobicContact CG1-CD2 4.32Å; V204-Y208 HydrophobicContact CG1-CE2 3.88Å; V204-Y208 VanDerWaalsContact O-CD2 3.28Å; V204-Y208 WeakPolarHBondContact O-CD2 3.37Å
205	S	98.7	Very high	98.4	Very high	20 Å²	20	59.3 Å²	59.3	14%	0.14	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-27.6	-178.6	79.7	0	0	0	0	113.4	C201 E202 E203 E207 Y208	C201-S205 WeakPolarHBondContact O-CB 3.48Å; C201-S205 PolarHBondContact O-N 3.14Å; E202-S205 WeakPolarHBondContact O-CB 3.35Å; E202-S205 PolarHBondContact O-N 2.89Å; E202-S205 PolarHBondContact O-OG 3.34Å; E203-S205 VanDerWaalsContact C-N 3.29Å; E203-S205 PolarHBondContact O-N 3.38Å; S205-E207 PolarHBondContact O-N 2.75Å; S205-Y208 CarbonylContact O-C 3.53Å; S205-Y208 PolarHBondContact O-N 2.92Å
206	E	98.5	Very high	98.4	Very high	153 Å²	153	60 Å²	60	72%	0.715	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.7	176.5	-61.4	-179.3	173.5	0	0	112.3	E202 E203 V204 Y208	E202-E206 PolarHBondContact O-N 2.89Å; E203-E206 WeakPolarHBondContact O-CB 3.41Å; E203-E206 PolarHBondContact O-N 2.94Å; V204-E206 PolarHBondContact O-N 2.83Å; E206-Y208 VanDerWaalsContact C-N 3.27Å; E206-Y208 PolarHBondContact O-N 2.82Å
207	E	98.3	Very high	98.4	Very high	121 Å²	121	59.9 Å²	59.9	57%	0.565	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.9	174.8	-60.4	178.5	-143.9	0	0	113	K167 V204 S205 P209	K167-E207 WeakPolarHBondContact CE-OE2 3.11Å; V204-E207 WeakPolarHBondContact O-CB 3.45Å; V204-E207 PolarHBondContact O-N 2.89Å; S205-E207 PolarHBondContact O-N 2.75Å; E207-P209 WeakPolarHBondContact O-CD 3.4Å
208	Y	98.5	Very high	98.4	Very high	26 Å²	26	60.5 Å²	60.5	10%	0.102	31%	0.308	C	S	.	.			trans	-127.5	66.3	-173.4	-60.8	-98	0	0	0	112.7	K167 F170 D171 V204 S205 E206 N210 I211	K167-Y208 HydrophobicContact CD-CE2 4.2Å; K167-Y208 WeakPolarHBondContact CD-OH 3.38Å; K167-Y208 WeakPolarHBondContact CE-OH 3.3Å; K167-Y208 PolarHBondContact NZ-OH 2.62Å; F170-Y208 HydrophobicContact CB-CD1 4.03Å; F170-Y208 HydrophobicContact CB-CD2 3.59Å; F170-Y208 HydrophobicContact CB-CE1 3.85Å; F170-Y208 HydrophobicContact CB-CE2 3.42Å; F170-Y208 VanDerWaalsContact CB-CE2 3.42Å; F170-Y208 HydrophobicContact CB-CG 3.88Å; F170-Y208 AromaticContact CD1-CD2 3.84Å; F170-Y208 HydrophobicContact CD1-CD2 3.84Å; F170-Y208 AromaticContact CD1-CG 3.83Å; F170-Y208 HydrophobicContact CD1-CG 3.83Å; F170-Y208 AromaticContact CG-CD2 3.84Å; F170-Y208 HydrophobicContact CG-CD2 3.84Å; F170-Y208 HydrophobicContact CG-CE2 4.09Å; F170-Y208 HydrophobicContact CG-CG 4.18Å; D171-Y208 PolarHBondContact OD1-OH 3.09Å; V204-Y208 HydrophobicContact CG1-CD2 4.32Å; V204-Y208 HydrophobicContact CG1-CE2 3.88Å; V204-Y208 VanDerWaalsContact O-CD2 3.28Å; V204-Y208 WeakPolarHBondContact O-CD2 3.37Å; S205-Y208 CarbonylContact O-C 3.53Å; S205-Y208 PolarHBondContact O-N 2.92Å; E206-Y208 VanDerWaalsContact C-N 3.27Å; E206-Y208 PolarHBondContact O-N 2.82Å; Y208-N210 PolarHBondContact O-N 3.39Å; Y208-I211 HydrophobicContact CD1-CD1 3.93Å; Y208-I211 HydrophobicContact CG-CD1 4.32Å; Y208-I211 PolarHBondContact O-N 2.89Å
209	P	96.9	Very high	98.4	Very high	115 Å²	115	63 Å²	63	75%	0.747	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-15.1	-175	25.7	-36.1	0	0	0	114.9	E207	E207-P209 WeakPolarHBondContact O-CD 3.4Å
210	N	97	Very high	98.4	Very high	155 Å²	155	60.9 Å²	60.9	83%	0.829	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.4	177.9	-62.3	-38.5	0	0	0	113.7	Y208	Y208-N210 PolarHBondContact O-N 3.39Å
211	I	98.6	Very high	98.4	Very high	17 Å²	17	60.9 Å²	60.9	9%	0.087	31%	0.311	C	S	.	.	S	Bend	trans	-112.6	120.3	179.4	-65.4	173.7	0	0	0	108.2	F170 A173 S179 V181 Y208 F213	F170-I211 HydrophobicContact CD1-CB 4.23Å; F170-I211 HydrophobicContact CD1-CD1 4.16Å; F170-I211 HydrophobicContact CD1-CG2 3.88Å; F170-I211 HydrophobicContact CE1-CB 4.31Å; F170-I211 HydrophobicContact CE1-CG2 3.78Å; A173-I211 HydrophobicContact CB-CD1 3.9Å; S179-I211 CarbonylContact O-C 3.48Å; S179-I211 WeakPolarHBondContact O-CA 3.13Å; V181-I211 HydrophobicContact CB-CG2 4.17Å; V181-I211 HydrophobicContact CG2-CG2 3.7Å; Y208-I211 HydrophobicContact CD1-CD1 3.93Å; Y208-I211 HydrophobicContact CG-CD1 4.32Å; Y208-I211 PolarHBondContact O-N 2.89Å; I211-F213 PolarHBondContact O-N 3.2Å
212	E	98.6	Very high	98.3	Very high	106 Å²	106	62.2 Å²	62.2	50%	0.495	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	123.4	171.9	-175.3	-166.9	140.2	0	0	109.5	S179 K180 V181	S179-E212 PolarHBondContact O-N 2.96Å; K180-E212 CarbonylContact C-O 3.5Å; K180-E212 WeakPolarHBondContact CA-O 3.46Å; K180-E212 HydrophobicContact CB-CB 4.34Å; K180-E212 WeakPolarHBondContact CE-OE1 3.39Å; K180-E212 HydrophobicContact CG-CB 4.31Å; K180-E212 IonicContact NZ-OE1 2.75Å; K180-E212 PolarHBondContact NZ-OE1 3.41Å; K180-E212 IonicContact NZ-OE2 3.86Å; V181-E212 PolarHBondContact N-O 3.45Å
213	F	98.7	Very high	98.3	Very high	45 Å²	45	62.3 Å²	62.3	20%	0.197	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.3	171.2	175.8	-116.5	0	0	0	110.8	F170 A183 L198 C201 E202 I211	F170-F213 HydrophobicContact CE2-CD2 4.4Å; F170-F213 HydrophobicContact CZ-CB 4.17Å; F170-F213 AromaticContact CZ-CD2 3.7Å; F170-F213 HydrophobicContact CZ-CD2 3.7Å; F170-F213 HydrophobicContact CZ-CE2 4.44Å; F170-F213 HydrophobicContact CZ-CG 4.17Å; A183-F213 HydrophobicContact CB-CE2 3.73Å; A183-F213 HydrophobicContact CB-CZ 4.07Å; L198-F213 HydrophobicContact CD1-CZ 4.21Å; C201-F213 HydrophobicContact CB-CE2 3.76Å; C201-F213 HydrophobicContact CB-CZ 3.71Å; E202-F213 HydrophobicContact CB-CE1 3.82Å; E202-F213 HydrophobicContact CB-CZ 4.41Å; E202-F213 HydrophobicContact CG-CE1 4.18Å; I211-F213 PolarHBondContact O-N 3.2Å
214	N	98.5	Very high	98.3	Very high	42 Å²	42	60.4 Å²	60.4	23%	0.225	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	174.9	166.2	76.7	-18.1	0	0	0	111.1	K180 V181 T182 A183	K180-N214 WeakPolarHBondContact CE-ND2 3.49Å; K180-N214 PolarHBondContact NZ-ND2 2.73Å; V181-N214 PolarHBondContact O-N 3.49Å; V181-N214 VanDerWaalsContact O-N 3.14Å; T182-N214 CarbonylContact C-O 3.58Å; T182-N214 WeakPolarHBondContact CA-O 3.4Å; T182-N214 VanDerWaalsContact CA-OD1 3.29Å; T182-N214 WeakPolarHBondContact CA-OD1 3.5Å; T182-N214 WeakPolarHBondContact CB-OD1 3.31Å; T182-N214 WeakPolarHBondContact CG2-OD1 3.35Å; T182-N214 PolarHBondContact OG1-OD1 3.28Å; A183-N214 PolarHBondContact N-O 2.96Å
215	N	98.5	Very high	98.3	Very high	74 Å²	74	60.3 Å²	60.3	40%	0.396	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.3	176.3	66.2	77.3	0	0	0	112.1	A183 H185 L198	A183-N215 HydrophobicContact CB-CB 4.24Å; A183-N215 CarbonylContact O-C 3.55Å; A183-N215 WeakPolarHBondContact O-CA 3.44Å; A183-N215 WeakPolarHBondContact O-CB 3.33Å; H185-N215 PolarHBondContact NE2-OD1 3.35Å; H185-N215 VanDerWaalsContact NE2-OD1 3.12Å; L198-N215 HydrophobicContact CD1-CB 3.51Å
216	L	98.3	Very high	98.2	Very high	25 Å²	25	63.2 Å²	63.2	13%	0.131	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.4	174.9	-69.1	178.3	0	0	0	110.6	T182 A183 V184 H185 C221 Q224 F232	T182-L216 HydrophobicContact CG2-CB 4.35Å; T182-L216 HydrophobicContact CG2-CD1 4.09Å; T182-L216 HydrophobicContact CG2-CG 4.01Å; A183-L216 PolarHBondContact O-N 3Å; V184-L216 WeakPolarHBondContact CA-O 3.46Å; H185-L216 PolarHBondContact N-O 3.07Å; L216-C221 HydrophobicContact CB-CB 4.09Å; L216-C221 HydrophobicContact CD1-CB 4.32Å; L216-Q224 HydrophobicContact CD1-CG 4.34Å; L216-F232 HydrophobicContact CD1-CE1 3.59Å; L216-F232 HydrophobicContact CD1-CZ 3.78Å
217	I	98.4	Very high	98.1	Very high	50 Å²	50	60.6 Å²	60.6	26%	0.256	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.4	164.4	58.2	175.1	0	0	0	110.3	H185 D219 N220 C221	H185-I217 CarbonylContact O-C 3.42Å; H185-I217 WeakPolarHBondContact O-CA 3.37Å; I217-D219 VanDerWaalsContact C-N 3.29Å; I217-D219 WeakPolarHBondContact CB-OD1 3.41Å; I217-D219 VanDerWaalsContact CD1-OD1 3.24Å; I217-D219 WeakPolarHBondContact CD1-OD1 3.34Å; I217-D219 WeakPolarHBondContact CG1-OD1 3.32Å; I217-D219 PolarHBondContact O-N 3.4Å; I217-N220 HydrophobicContact CD1-CB 4.3Å; I217-N220 HydrophobicContact CG1-CB 3.61Å; I217-N220 CarbonylContact O-C 3.59Å; I217-N220 PolarHBondContact O-N 2.9Å; I217-C221 PolarHBondContact O-N 3.03Å
218	I	98.2	Very high	98	Very high	17 Å²	17	60.7 Å²	60.7	9%	0.087	32%	0.318	C	S	.	.	H	α-helix	trans	-55	-37.6	-170.2	179.1	57.6	0	0	0	114	V184 H185 K186 C221 C222 Y241 I245	V184-I218 HydrophobicContact CG1-CB 4Å; V184-I218 HydrophobicContact CG1-CD1 3.69Å; V184-I218 HydrophobicContact CG1-CG1 4.45Å; H185-I218 PolarHBondContact O-N 3.24Å; K186-I218 HydrophobicContact CB-CG2 4.22Å; K186-I218 HydrophobicContact CD-CG2 3.53Å; K186-I218 HydrophobicContact CG-CG2 4.4Å; I218-C221 WeakPolarHBondContact O-CB 3.34Å; I218-C221 PolarHBondContact O-N 3.32Å; I218-C222 PolarHBondContact O-N 3.38Å; I218-C222 PolarHBondContact O-SG 3.28Å; I218-Y241 HydrophobicContact CB-CD1 4.29Å; I218-Y241 HydrophobicContact CB-CG 4.33Å; I218-Y241 HydrophobicContact CD1-CG 4.29Å; I218-Y241 HydrophobicContact CG1-CD1 3.98Å; I218-Y241 HydrophobicContact CG1-CG 4.15Å; I218-Y241 HydrophobicContact CG2-CD1 4.36Å; I218-Y241 HydrophobicContact CG2-CE1 4.27Å; I218-I245 HydrophobicContact CD1-CD1 3.42Å; I218-I245 VanDerWaalsContact CD1-CD1 3.42Å; I218-I245 HydrophobicContact CD1-CG1 3.59Å
219	D	97.9	Very high	98	Very high	80 Å²	80	59.4 Å²	59.4	43%	0.428	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-44.9	174.8	49.2	-25.6	0	0	0	112.8	K186 I217 C221 C222 M223	K186-D219 IonicContact NZ-OD1 2.68Å; K186-D219 PolarHBondContact NZ-OD1 3.39Å; K186-D219 IonicContact NZ-OD2 2.89Å; K186-D219 PolarHBondContact NZ-OD2 2.9Å; I217-D219 VanDerWaalsContact C-N 3.29Å; I217-D219 WeakPolarHBondContact CB-OD1 3.41Å; I217-D219 VanDerWaalsContact CD1-OD1 3.24Å; I217-D219 WeakPolarHBondContact CD1-OD1 3.34Å; I217-D219 WeakPolarHBondContact CG1-OD1 3.32Å; I217-D219 PolarHBondContact O-N 3.4Å; D219-C221 VanDerWaalsContact C-N 3.32Å; D219-C222 PolarHBondContact O-N 3.13Å; D219-M223 PolarHBondContact O-N 2.86Å
220	N	98.3	Very high	98	Very high	50 Å²	50	58.1 Å²	58.1	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-65.5	-38.5	172.6	-173.6	22.2	0	0	0	110.7	I217 C222 M223 Q224	I217-N220 HydrophobicContact CD1-CB 4.3Å; I217-N220 HydrophobicContact CG1-CB 3.61Å; I217-N220 CarbonylContact O-C 3.59Å; I217-N220 PolarHBondContact O-N 2.9Å; N220-C222 PolarHBondContact O-N 2.93Å; N220-M223 WeakPolarHBondContact O-CB 3.16Å; N220-M223 PolarHBondContact O-N 3.2Å; N220-M223 VanDerWaalsContact O-N 3.16Å; N220-M223 VanDerWaalsContact OD1-CE 3.26Å; N220-M223 WeakPolarHBondContact OD1-CE 3.5Å; N220-Q224 WeakPolarHBondContact O-CB 3.31Å; N220-Q224 VanDerWaalsContact O-CG 3.3Å; N220-Q224 WeakPolarHBondContact O-CG 3.27Å; N220-Q224 PolarHBondContact O-N 3.13Å; N220-Q224 PolarHBondContact OD1-NE2 3.35Å
221	C	98.7	Very high	98	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-57.2	-48.6	174.2	178.5	0	0	0	0	111.6	V184 L216 I217 I218 D219 M223 Q224 L225 M235	V184-C221 HydrophobicContact CG1-CB 3.78Å; V184-C221 HydrophobicContact CG2-CB 4.33Å; L216-C221 HydrophobicContact CB-CB 4.09Å; L216-C221 HydrophobicContact CD1-CB 4.32Å; I217-C221 PolarHBondContact O-N 3.03Å; I218-C221 WeakPolarHBondContact O-CB 3.34Å; I218-C221 PolarHBondContact O-N 3.32Å; D219-C221 VanDerWaalsContact C-N 3.32Å; C221-M223 VanDerWaalsContact C-N 3.32Å; C221-M223 PolarHBondContact O-N 2.79Å; C221-Q224 PolarHBondContact O-N 3.38Å; C221-L225 WeakPolarHBondContact O-CB 3.23Å; C221-L225 WeakPolarHBondContact O-CG 3.24Å; C221-L225 PolarHBondContact O-N 3.13Å; C221-M235 WeakPolarHBondContact SG-CE 3.34Å
222	C	98.5	Very high	98	Very high	29 Å²	29	52.5 Å²	52.5	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-44.7	173.8	-70.1	0	0	0	0	112	I218 D219 N220 L225 V226 L248	I218-C222 PolarHBondContact O-N 3.38Å; I218-C222 PolarHBondContact O-SG 3.28Å; D219-C222 PolarHBondContact O-N 3.13Å; N220-C222 PolarHBondContact O-N 2.93Å; C222-L225 PolarHBondContact O-N 3.5Å; C222-V226 PolarHBondContact O-N 2.78Å; C222-V226 VanDerWaalsContact O-N 3.13Å; C222-L248 HydrophobicContact CB-CD1 3.77Å
223	M	98.2	Very high	98	Very high	102 Å²	102	49.4 Å²	49.4	50%	0.502	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-47	175.9	-173.5	177.2	71.8	0	0	111.5	D219 N220 C221 L225 V226 T227	D219-M223 PolarHBondContact O-N 2.86Å; N220-M223 WeakPolarHBondContact O-CB 3.16Å; N220-M223 PolarHBondContact O-N 3.2Å; N220-M223 VanDerWaalsContact O-N 3.16Å; N220-M223 VanDerWaalsContact OD1-CE 3.26Å; N220-M223 WeakPolarHBondContact OD1-CE 3.5Å; C221-M223 VanDerWaalsContact C-N 3.32Å; C221-M223 PolarHBondContact O-N 2.79Å; M223-L225 VanDerWaalsContact C-N 3.34Å; M223-L225 PolarHBondContact O-N 3.29Å; M223-V226 VanDerWaalsContact O-CG2 3.24Å; M223-V226 WeakPolarHBondContact O-CG2 3.21Å; M223-V226 PolarHBondContact O-N 3.21Å; M223-T227 WeakPolarHBondContact O-CB 3.29Å; M223-T227 PolarHBondContact O-N 3.39Å; M223-T227 PolarHBondContact O-OG1 3.16Å
224	Q	98.3	Very high	98	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.182	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-37	178.8	-69.5	-49.9	-48.3	0	0	112.4	L216 N220 C221 T227 R228 F232	L216-Q224 HydrophobicContact CD1-CG 4.34Å; N220-Q224 WeakPolarHBondContact O-CB 3.31Å; N220-Q224 VanDerWaalsContact O-CG 3.3Å; N220-Q224 WeakPolarHBondContact O-CG 3.27Å; N220-Q224 PolarHBondContact O-N 3.13Å; N220-Q224 PolarHBondContact OD1-NE2 3.35Å; C221-Q224 PolarHBondContact O-N 3.38Å; Q224-T227 PolarHBondContact O-N 3.47Å; Q224-R228 CarbonylContact O-C 3.16Å; Q224-R228 WeakPolarHBondContact O-CA 3.38Å; Q224-R228 PolarHBondContact O-N 2.86Å; Q224-F232 HydrophobicContact CB-CE2 3.98Å; Q224-F232 HydrophobicContact CB-CZ 3.66Å
225	L	98.2	Very high	98	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.2	-40.8	176.3	-77.7	163.4	0	0	0	111.7	F128 C221 C222 M223 P229 F232 M235 I245 L248 I252	F128-L225 HydrophobicContact CE1-CD2 4.23Å; F128-L225 HydrophobicContact CE2-CD2 4.06Å; F128-L225 HydrophobicContact CZ-CD2 3.56Å; C221-L225 WeakPolarHBondContact O-CB 3.23Å; C221-L225 WeakPolarHBondContact O-CG 3.24Å; C221-L225 PolarHBondContact O-N 3.13Å; C222-L225 PolarHBondContact O-N 3.5Å; M223-L225 VanDerWaalsContact C-N 3.34Å; M223-L225 PolarHBondContact O-N 3.29Å; L225-P229 HydrophobicContact CD2-CB 4.38Å; L225-P229 VanDerWaalsContact O-CB 3.25Å; L225-P229 WeakPolarHBondContact O-CB 3.35Å; L225-P229 VanDerWaalsContact O-CD 3.25Å; L225-P229 WeakPolarHBondContact O-CD 3.36Å; L225-P229 VanDerWaalsContact O-CG 3.27Å; L225-P229 WeakPolarHBondContact O-CG 3.4Å; L225-F232 HydrophobicContact CB-CE2 4.46Å; L225-F232 HydrophobicContact CD2-CD2 3.51Å; L225-F232 HydrophobicContact CD2-CE2 3.57Å; L225-F232 HydrophobicContact CD2-CG 4.48Å; L225-F232 HydrophobicContact CG-CD2 4.13Å; L225-F232 HydrophobicContact CG-CE2 3.63Å; L225-F232 HydrophobicContact CG-CZ 4.33Å; L225-M235 HydrophobicContact CD1-CE 4.23Å; L225-M235 HydrophobicContact CD2-SD 4.36Å; L225-I245 HydrophobicContact CD1-CD1 3.68Å; L225-I245 HydrophobicContact CD1-CG1 4.48Å; L225-I245 HydrophobicContact CD1-CG2 3.8Å; L225-L248 HydrophobicContact CB-CD2 3.53Å; L225-L248 HydrophobicContact CD1-CD2 3.97Å; L225-L248 HydrophobicContact CG-CD2 4.33Å; L225-I252 HydrophobicContact CB-CD1 3.84Å; L225-I252 HydrophobicContact CD2-CD1 4.43Å; L225-I252 WeakPolarHBondContact O-CD1 3.37Å
226	V	96.3	Very high	98	Very high	81 Å²	81	41.8 Å²	41.8	49%	0.491	21%	0.212	S	C	.	.	H	α-helix	trans	-79.4	-19.4	178.2	-58.3	0	0	0	0	113.4	H123 C222 M223 L248	H123-V226 PolarHBondContact NE2-O 3.08Å; C222-V226 PolarHBondContact O-N 2.78Å; C222-V226 VanDerWaalsContact O-N 3.13Å; M223-V226 VanDerWaalsContact O-CG2 3.24Å; M223-V226 WeakPolarHBondContact O-CG2 3.21Å; M223-V226 PolarHBondContact O-N 3.21Å; V226-L248 HydrophobicContact CG1-CD1 4.47Å; V226-L248 HydrophobicContact CG1-CD2 4.17Å
227	T	96.5	Very high	98	Very high	99 Å²	99	40.6 Å²	40.6	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-95.2	-50.1	179.9	-58.6	0	0	0	0	112.8	M223 Q224	M223-T227 WeakPolarHBondContact O-CB 3.29Å; M223-T227 PolarHBondContact O-N 3.39Å; M223-T227 PolarHBondContact O-OG1 3.16Å; Q224-T227 PolarHBondContact O-N 3.47Å
228	R	97	Very high	98	Very high	122 Å²	122	38.6 Å²	38.6	46%	0.46	20%	0.197	S	C	.	.			trans	-147.4	67.1	-171.3	-164.2	-178	64.2	158.3	-1.3	111.6	Q224 E230 Q231	Q224-R228 CarbonylContact O-C 3.16Å; Q224-R228 WeakPolarHBondContact O-CA 3.38Å; Q224-R228 PolarHBondContact O-N 2.86Å; R228-E230 VanDerWaalsContact CA-OE2 3.3Å; R228-E230 WeakPolarHBondContact CA-OE2 3.41Å; R228-E230 HydrophobicContact CG-CG 4.26Å; R228-E230 WeakPolarHBondContact CG-OE1 3.35Å; R228-E230 VanDerWaalsContact CG-OE2 3.28Å; R228-E230 WeakPolarHBondContact CG-OE2 3.5Å; R228-E230 PolarHBondContact O-N 3.24Å; R228-Q231 VanDerWaalsContact O-CG 3.28Å; R228-Q231 WeakPolarHBondContact O-CG 3.48Å; R228-Q231 PolarHBondContact O-NE2 3.03Å
229	P	98	Very high	97.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-69.1	-17.8	-175.6	25.1	-29.5	0	0	0	114.1	H123 V126 F128 L225 Q231 F232 I252	H123-P229 HydrophobicContact CB-CG 4.01Å; H123-P229 WeakPolarHBondContact CD2-CD 3.11Å; H123-P229 VanDerWaalsContact CD2-CG 3.47Å; H123-P229 WeakPolarHBondContact CD2-CG 3.31Å; V126-P229 HydrophobicContact CG1-CB 3.87Å; V126-P229 HydrophobicContact CG1-CG 3.72Å; F128-P229 HydrophobicContact CE1-CB 4.46Å; L225-P229 HydrophobicContact CD2-CB 4.38Å; L225-P229 VanDerWaalsContact O-CB 3.25Å; L225-P229 WeakPolarHBondContact O-CB 3.35Å; L225-P229 VanDerWaalsContact O-CD 3.25Å; L225-P229 WeakPolarHBondContact O-CD 3.36Å; L225-P229 VanDerWaalsContact O-CG 3.27Å; L225-P229 WeakPolarHBondContact O-CG 3.4Å; P229-Q231 PolarHBondContact O-N 3.16Å; P229-Q231 VanDerWaalsContact O-N 3.1Å; P229-F232 WeakPolarHBondContact O-CD2 3.26Å; P229-F232 PolarHBondContact O-N 3.33Å; P229-I252 HydrophobicContact CB-CD1 4.3Å; P229-I252 HydrophobicContact CB-CG2 4.42Å; P229-I252 HydrophobicContact CG-CG2 4.05Å
230	E	96.9	Very high	97.8	Very high	88 Å²	88	36.7 Å²	36.7	41%	0.411	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-66.9	-8.5	179.1	72.6	-87.2	-154.2	0	0	114.4	V126 R228 F232	V126-E230 HydrophobicContact CG1-CB 4.29Å; R228-E230 VanDerWaalsContact CA-OE2 3.3Å; R228-E230 WeakPolarHBondContact CA-OE2 3.41Å; R228-E230 HydrophobicContact CG-CG 4.26Å; R228-E230 WeakPolarHBondContact CG-OE1 3.35Å; R228-E230 VanDerWaalsContact CG-OE2 3.28Å; R228-E230 WeakPolarHBondContact CG-OE2 3.5Å; R228-E230 PolarHBondContact O-N 3.24Å; E230-F232 VanDerWaalsContact C-N 3.32Å
231	Q	97.1	Very high	97.7	Very high	46 Å²	46	34.8 Å²	34.8	22%	0.215	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-81.5	-11.1	178.5	77.6	-171.6	-67.9	0	0	113.8	R228 P229	R228-Q231 VanDerWaalsContact O-CG 3.28Å; R228-Q231 WeakPolarHBondContact O-CG 3.48Å; R228-Q231 PolarHBondContact O-NE2 3.03Å; P229-Q231 PolarHBondContact O-N 3.16Å; P229-Q231 VanDerWaalsContact O-N 3.1Å
232	F	98.4	Very high	97.6	Very high	7 Å²	7	34.8 Å²	34.8	3%	0.031	18%	0.176	C	C	.	.			trans	-93.7	148.9	-177.3	-63.1	-65.9	0	0	0	111.2	F128 T182 L216 Q224 L225 P229 E230 M235	F128-F232 HydrophobicContact CB-CB 4.04Å; F128-F232 WeakPolarHBondContact CB-O 3.43Å; F128-F232 HydrophobicContact CD1-CB 4.35Å; F128-F232 HydrophobicContact CD2-CB 4.28Å; F128-F232 HydrophobicContact CG-CB 4Å; T182-F232 HydrophobicContact CG2-CE1 4.36Å; L216-F232 HydrophobicContact CD1-CE1 3.59Å; L216-F232 HydrophobicContact CD1-CZ 3.78Å; Q224-F232 HydrophobicContact CB-CE2 3.98Å; Q224-F232 HydrophobicContact CB-CZ 3.66Å; L225-F232 HydrophobicContact CB-CE2 4.46Å; L225-F232 HydrophobicContact CD2-CD2 3.51Å; L225-F232 HydrophobicContact CD2-CE2 3.57Å; L225-F232 HydrophobicContact CD2-CG 4.48Å; L225-F232 HydrophobicContact CG-CD2 4.13Å; L225-F232 HydrophobicContact CG-CE2 3.63Å; L225-F232 HydrophobicContact CG-CZ 4.33Å; P229-F232 WeakPolarHBondContact O-CD2 3.26Å; P229-F232 PolarHBondContact O-N 3.33Å; E230-F232 VanDerWaalsContact C-N 3.32Å; F232-M235 HydrophobicContact CB-CG 4.2Å; F232-M235 HydrophobicContact CB-SD 3.92Å; F232-M235 HydrophobicContact CD1-CE 3.94Å; F232-M235 HydrophobicContact CD1-CG 4.05Å; F232-M235 HydrophobicContact CD1-SD 3.82Å; F232-M235 HydrophobicContact CD2-SD 4.26Å; F232-M235 HydrophobicContact CE1-CE 3.95Å; F232-M235 HydrophobicContact CE1-SD 4.41Å; F232-M235 HydrophobicContact CG-CE 4.3Å; F232-M235 HydrophobicContact CG-CG 4.31Å; F232-M235 HydrophobicContact CG-SD 3.73Å; F232-M235 HydrophobicContact CZ-CE 4.3Å
233	E	98.5	Very high	97.4	Very high	42 Å²	42	35.1 Å²	35.1	20%	0.196	18%	0.175	C	C	.	.	S	Bend	trans	-129.3	-65.6	175.1	-73	-168.4	-130.5	0	0	111.4	F128 Y129 R178 S179 K180	F128-E233 CarbonylContact C-O 3.49Å; F128-E233 WeakPolarHBondContact CA-O 3.44Å; F128-E233 VanDerWaalsContact CB-O 3.32Å; F128-E233 WeakPolarHBondContact CB-O 3.37Å; Y129-E233 PolarHBondContact N-O 3.16Å; R178-E233 VanDerWaalsContact CA-OE2 3.24Å; R178-E233 WeakPolarHBondContact CA-OE2 3.43Å; R178-E233 HydrophobicContact CB-CB 4.44Å; R178-E233 WeakPolarHBondContact CB-OE2 3.46Å; S179-E233 PolarHBondContact N-OE2 2.95Å; S179-E233 PolarHBondContact OG-OE1 3.03Å; S179-E233 PolarHBondContact OG-OE2 2.96Å; K180-E233 HydrophobicContact CB-CB 4.23Å; K180-E233 HydrophobicContact CB-CG 4.33Å
234	V	98.9	Very high	97.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.8	170	179.4	0	0	0	0	108.4	I131 A169 F172 A173 R178 K180 V181 T182	I131-V234 HydrophobicContact CD1-CG1 3.68Å; I131-V234 HydrophobicContact CG1-CG1 4.28Å; A169-V234 HydrophobicContact CB-CG1 4.48Å; F172-V234 HydrophobicContact CD1-CG2 4.35Å; A173-V234 HydrophobicContact CB-CB 4.42Å; A173-V234 HydrophobicContact CB-CG2 3.93Å; R178-V234 HydrophobicContact CB-CG2 3.78Å; R178-V234 HydrophobicContact CG-CG2 3.76Å; K180-V234 PolarHBondContact O-N 3.39Å; K180-V234 VanDerWaalsContact O-N 3.13Å; V181-V234 CarbonylContact C-O 3.6Å; V181-V234 VanDerWaalsContact CA-O 3.31Å; V181-V234 WeakPolarHBondContact CA-O 3.33Å; V181-V234 HydrophobicContact CG2-CB 4.1Å; V181-V234 HydrophobicContact CG2-CG1 4.24Å; T182-V234 PolarHBondContact N-O 3.36Å
235	M	98.9	Very high	97.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.2	178.8	-55.4	175.7	69	0	0	108.7	F128 Y129 I131 T182 V184 C221 L225 F232 M237 I245	F128-M235 HydrophobicContact CD2-CG 4.5Å; F128-M235 HydrophobicContact CD2-SD 3.8Å; F128-M235 HydrophobicContact CE2-SD 3.76Å; Y129-M235 PolarHBondContact O-N 2.96Å; I131-M235 PolarHBondContact N-O 3.08Å; T182-M235 CarbonylContact O-C 3.15Å; T182-M235 VanDerWaalsContact O-CA 3.31Å; T182-M235 WeakPolarHBondContact O-CA 3.38Å; V184-M235 HydrophobicContact CG2-CE 3.78Å; C221-M235 WeakPolarHBondContact SG-CE 3.34Å; L225-M235 HydrophobicContact CD1-CE 4.23Å; L225-M235 HydrophobicContact CD2-SD 4.36Å; F232-M235 HydrophobicContact CB-CG 4.2Å; F232-M235 HydrophobicContact CB-SD 3.92Å; F232-M235 HydrophobicContact CD1-CE 3.94Å; F232-M235 HydrophobicContact CD1-CG 4.05Å; F232-M235 HydrophobicContact CD1-SD 3.82Å; F232-M235 HydrophobicContact CD2-SD 4.26Å; F232-M235 HydrophobicContact CE1-CE 3.95Å; F232-M235 HydrophobicContact CE1-SD 4.41Å; F232-M235 HydrophobicContact CG-CE 4.3Å; F232-M235 HydrophobicContact CG-CG 4.31Å; F232-M235 HydrophobicContact CG-SD 3.73Å; F232-M235 HydrophobicContact CZ-CE 4.3Å; M235-M237 HydrophobicContact CB-CE 3.53Å; M235-M237 HydrophobicContact CE-CE 4.22Å; M235-I245 HydrophobicContact CE-CG2 4.31Å
236	V	98.9	Very high	97.1	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.2	178.7	65.7	0	0	0	0	110.7	I131 I165 A169 V181 T182 A183 V184 F197	I131-V236 HydrophobicContact CG2-CG2 4.38Å; I131-V236 CarbonylContact O-C 3.53Å; I131-V236 VanDerWaalsContact O-CA 3.28Å; I131-V236 WeakPolarHBondContact O-CA 3.39Å; I165-V236 HydrophobicContact CG1-CG2 4.02Å; I165-V236 HydrophobicContact CG2-CG2 4.46Å; A169-V236 HydrophobicContact CB-CB 3.71Å; A169-V236 HydrophobicContact CB-CG1 4.36Å; A169-V236 HydrophobicContact CB-CG2 3.7Å; V181-V236 HydrophobicContact CG1-CG1 3.9Å; T182-V236 PolarHBondContact O-N 3.49Å; A183-V236 CarbonylContact C-O 3.57Å; A183-V236 WeakPolarHBondContact CA-O 3.41Å; A183-V236 HydrophobicContact CB-CG1 4.14Å; V184-V236 PolarHBondContact N-O 3.45Å; F197-V236 HydrophobicContact CZ-CG1 4.32Å; F197-V236 HydrophobicContact CZ-CG2 4.16Å
237	M	98.6	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	158.2	-174.9	62	-159.9	77.1	0	0	115.4	I130 I131 R132 E133 V184 M235 G242 I245	I130-M237 HydrophobicContact CG2-CE 3.88Å; I130-M237 HydrophobicContact CG2-SD 4.16Å; I131-M237 PolarHBondContact O-N 3.05Å; R132-M237 WeakPolarHBondContact CA-O 3.41Å; E133-M237 PolarHBondContact N-O 3.21Å; V184-M237 HydrophobicContact CB-CB 3.92Å; V184-M237 HydrophobicContact CB-CE 4.05Å; V184-M237 HydrophobicContact CB-SD 4.29Å; V184-M237 HydrophobicContact CG2-CE 3.7Å; M235-M237 HydrophobicContact CB-CE 3.53Å; M235-M237 HydrophobicContact CE-CE 4.22Å; M237-G242 WeakPolarHBondContact SD-CA 3.21Å; M237-G242 PolarHBondContact SD-N 2.99Å; M237-I245 HydrophobicContact CE-CB 4.44Å; M237-I245 HydrophobicContact CE-CG1 4.39Å; M237-I245 HydrophobicContact CE-CG2 4.23Å; M237-I245 HydrophobicContact SD-CB 3.83Å; M237-I245 HydrophobicContact SD-CG1 3.71Å; M237-I245 HydrophobicContact SD-CG2 4.27Å
238	P	98.2	Very high	97	Very high	8 Å²	8	27.8 Å²	27.8	5%	0.052	13%	0.132	C	C	.	.			trans	-59.4	163.2	167.8	-25.1	33.7	0	0	0	114.3	V184 F197 L240 Y241 G242	V184-P238 WeakPolarHBondContact O-CD 3.44Å; F197-P238 HydrophobicContact CD1-CG 4.08Å; F197-P238 HydrophobicContact CD2-CG 4.07Å; F197-P238 HydrophobicContact CE1-CG 4.34Å; F197-P238 HydrophobicContact CE2-CG 4.33Å; F197-P238 HydrophobicContact CG-CG 3.95Å; F197-P238 HydrophobicContact CZ-CG 4.46Å; P238-L240 PolarHBondContact O-N 2.84Å; P238-Y241 HydrophobicContact CB-CD2 4.21Å; P238-Y241 HydrophobicContact CB-CE2 4.34Å; P238-Y241 HydrophobicContact CG-CD2 4.06Å; P238-Y241 HydrophobicContact CG-CE2 4.05Å; P238-Y241 PolarHBondContact O-N 3.38Å; P238-G242 PolarHBondContact O-N 3.33Å
239	N	95.6	Very high	97	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-53	-51.9	-169.3	-152.1	-18.5	0	0	0	115.1	R132 E133 Q134 E136 Y139 Y241 G242 N243	R132-N239 PolarHBondContact NE-O 2.88Å; R132-N239 PolarHBondContact NE-OD1 2.93Å; R132-N239 PolarHBondContact NH2-O 2.99Å; R132-N239 PolarHBondContact NH2-OD1 3.13Å; E133-N239 WeakPolarHBondContact O-CA 3.11Å; E133-N239 WeakPolarHBondContact O-CB 3.32Å; E133-N239 VanDerWaalsContact O-CG 3.23Å; E133-N239 PolarHBondContact O-N 3.2Å; Q134-N239 PolarHBondContact O-ND2 3.47Å; E136-N239 WeakPolarHBondContact O-CB 3.39Å; E136-N239 PolarHBondContact O-ND2 3.32Å; Y139-N239 WeakPolarHBondContact CB-ND2 3.45Å; Y139-N239 HydrophobicContact CD2-CB 4Å; N239-Y241 PolarHBondContact O-N 3.4Å; N239-G242 PolarHBondContact O-N 2.93Å; N239-N243 PolarHBondContact O-N 3.28Å; N239-N243 VanDerWaalsContact O-N 3.16Å
240	L	95.4	Very high	96.9	Very high	56 Å²	56	22 Å²	22	29%	0.293	11%	0.11	S	C	.	.	H	α-helix	trans	-64.7	-41.7	-178.9	177.9	61.2	0	0	0	112.8	E138 Y139 P238 N243 I244	E138-L240 HydrophobicContact CB-CD2 4.46Å; E138-L240 HydrophobicContact CG-CB 4.39Å; E138-L240 HydrophobicContact CG-CD2 3.92Å; E138-L240 WeakPolarHBondContact OE2-CB 3.43Å; Y139-L240 HydrophobicContact CE2-CB 4.23Å; Y139-L240 HydrophobicContact CE2-CD1 4.17Å; P238-L240 PolarHBondContact O-N 2.84Å; L240-N243 WeakPolarHBondContact O-CB 3.36Å; L240-N243 PolarHBondContact O-N 3.45Å; L240-I244 HydrophobicContact CD1-CD1 4.29Å; L240-I244 HydrophobicContact CG-CD1 4.13Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 3.36Å; L240-I244 VanDerWaalsContact O-N 3.15Å
241	Y	97.5	Very high	96.8	Very high	11 Å²	11	20.6 Å²	20.6	4%	0.043	12%	0.119	C	C	.	.	H	α-helix	trans	-68.9	-40.5	-179.3	-53.5	-25.5	0	0	0	111.4	K155 K186 M190 D194 I218 P238 N239 N243 I244 I245	K155-Y241 PolarHBondContact NZ-OH 3.32Å; K155-Y241 VanDerWaalsContact NZ-OH 3.16Å; K186-Y241 VanDerWaalsContact CB-OH 3.22Å; K186-Y241 WeakPolarHBondContact CB-OH 3.5Å; M190-Y241 WeakPolarHBondContact CE-OH 3.17Å; D194-Y241 WeakPolarHBondContact OD2-CE2 3.47Å; D194-Y241 VanDerWaalsContact OD2-CZ 3.29Å; D194-Y241 PolarHBondContact OD2-OH 2.9Å; I218-Y241 HydrophobicContact CB-CD1 4.29Å; I218-Y241 HydrophobicContact CB-CG 4.33Å; I218-Y241 HydrophobicContact CD1-CG 4.29Å; I218-Y241 HydrophobicContact CG1-CD1 3.98Å; I218-Y241 HydrophobicContact CG1-CG 4.15Å; I218-Y241 HydrophobicContact CG2-CD1 4.36Å; I218-Y241 HydrophobicContact CG2-CE1 4.27Å; P238-Y241 HydrophobicContact CB-CD2 4.21Å; P238-Y241 HydrophobicContact CB-CE2 4.34Å; P238-Y241 HydrophobicContact CG-CD2 4.06Å; P238-Y241 HydrophobicContact CG-CE2 4.05Å; P238-Y241 PolarHBondContact O-N 3.38Å; N239-Y241 PolarHBondContact O-N 3.4Å; Y241-N243 VanDerWaalsContact C-N 3.27Å; Y241-N243 PolarHBondContact O-N 3.11Å; Y241-I244 PolarHBondContact O-N 3.27Å; Y241-I245 WeakPolarHBondContact O-CB 3.43Å; Y241-I245 WeakPolarHBondContact O-CG1 3.42Å; Y241-I245 PolarHBondContact O-N 2.92Å
242	G	96.8	Very high	96.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-54	-48.1	173	0	0	0	0	0	110.9	M237 P238 N239 I244 I245 D246	M237-G242 WeakPolarHBondContact SD-CA 3.21Å; M237-G242 PolarHBondContact SD-N 2.99Å; P238-G242 PolarHBondContact O-N 3.33Å; N239-G242 PolarHBondContact O-N 2.93Å; G242-I244 VanDerWaalsContact C-N 3.3Å; G242-I244 PolarHBondContact O-N 2.82Å; G242-I245 PolarHBondContact O-N 3.28Å; G242-D246 WeakPolarHBondContact O-CB 3.35Å; G242-D246 PolarHBondContact O-N 2.78Å
243	N	93.2	Very high	96.6	Very high	36 Å²	36	18.8 Å²	18.8	19%	0.193	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-41.3	176.3	-158.9	54.3	0	0	0	113.6	R132 Y139 N239 L240 Y241 N247	R132-N243 VanDerWaalsContact NH1-CA 3.32Å; R132-N243 VanDerWaalsContact NH1-CB 3.34Å; R132-N243 PolarHBondContact NH1-OD1 2.75Å; Y139-N243 VanDerWaalsContact OH-CG 3.28Å; Y139-N243 PolarHBondContact OH-ND2 2.8Å; Y139-N243 VanDerWaalsContact OH-ND2 3.08Å; N239-N243 PolarHBondContact O-N 3.28Å; N239-N243 VanDerWaalsContact O-N 3.16Å; L240-N243 WeakPolarHBondContact O-CB 3.36Å; L240-N243 PolarHBondContact O-N 3.45Å; Y241-N243 VanDerWaalsContact C-N 3.27Å; Y241-N243 PolarHBondContact O-N 3.11Å; N243-N247 PolarHBondContact O-ND2 3.16Å
244	I	95.7	Very high	96.3	Very high	74 Å²	74	18 Å²	18	38%	0.379	12%	0.115	S	C	.	.	H	α-helix	trans	-68.6	-48.7	-179.6	-67.1	165.5	0	0	0	109.9	L240 Y241 G242 N247 L248	L240-I244 HydrophobicContact CD1-CD1 4.29Å; L240-I244 HydrophobicContact CG-CD1 4.13Å; L240-I244 WeakPolarHBondContact O-CG1 3.38Å; L240-I244 PolarHBondContact O-N 3.36Å; L240-I244 VanDerWaalsContact O-N 3.15Å; Y241-I244 PolarHBondContact O-N 3.27Å; G242-I244 VanDerWaalsContact C-N 3.3Å; G242-I244 PolarHBondContact O-N 2.82Å; I244-N247 PolarHBondContact O-N 3.46Å; I244-L248 WeakPolarHBondContact O-CB 3.3Å; I244-L248 PolarHBondContact O-N 2.97Å
245	I	97.6	Very high	96	Very high	0 Å²	0	19 Å²	19	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.4	-40.4	-178.1	-64.8	-46.9	0	0	0	111.2	I130 I218 L225 M235 M237 Y241 G242 N247 L248 A249	I130-I245 HydrophobicContact CD1-CG2 3.6Å; I130-I245 HydrophobicContact CG1-CG2 3.95Å; I130-I245 HydrophobicContact CG2-CG2 4.46Å; I218-I245 HydrophobicContact CD1-CD1 3.42Å; I218-I245 VanDerWaalsContact CD1-CD1 3.42Å; I218-I245 HydrophobicContact CD1-CG1 3.59Å; L225-I245 HydrophobicContact CD1-CD1 3.68Å; L225-I245 HydrophobicContact CD1-CG1 4.48Å; L225-I245 HydrophobicContact CD1-CG2 3.8Å; M235-I245 HydrophobicContact CE-CG2 4.31Å; M237-I245 HydrophobicContact CE-CB 4.44Å; M237-I245 HydrophobicContact CE-CG1 4.39Å; M237-I245 HydrophobicContact CE-CG2 4.23Å; M237-I245 HydrophobicContact SD-CB 3.83Å; M237-I245 HydrophobicContact SD-CG1 3.71Å; M237-I245 HydrophobicContact SD-CG2 4.27Å; Y241-I245 WeakPolarHBondContact O-CB 3.43Å; Y241-I245 WeakPolarHBondContact O-CG1 3.42Å; Y241-I245 PolarHBondContact O-N 2.92Å; G242-I245 PolarHBondContact O-N 3.28Å; I245-N247 VanDerWaalsContact C-N 3.33Å; I245-N247 PolarHBondContact O-N 3.45Å; I245-L248 PolarHBondContact O-N 3.49Å; I245-A249 WeakPolarHBondContact O-CB 3.32Å; I245-A249 PolarHBondContact O-N 3.37Å
246	D	96.1	Very high	95.6	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.011	13%	0.134	C	C	.	.	H	α-helix	trans	-54.1	-49.1	176.9	-70.6	-29.5	0	0	0	111.3	V111 I130 R132 G242 A250	V111-D246 WeakPolarHBondContact CG2-OD1 3.2Å; I130-D246 WeakPolarHBondContact CD1-OD1 3.38Å; I130-D246 WeakPolarHBondContact CG2-OD1 3.32Å; R132-D246 IonicContact NH1-OD2 3.42Å; G242-D246 WeakPolarHBondContact O-CB 3.35Å; G242-D246 PolarHBondContact O-N 2.78Å; D246-A250 VanDerWaalsContact O-CB 3.31Å; D246-A250 WeakPolarHBondContact O-CB 3.28Å; D246-A250 PolarHBondContact O-N 3.13Å
247	N	94.1	Very high	95.3	Very high	45 Å²	45	21 Å²	21	24%	0.241	14%	0.143	C	C	.	.	H	α-helix	trans	-71.4	-39.9	-178.8	-70.2	-72.1	0	0	0	112.2	N243 I244 I245 G251 H277	N243-N247 PolarHBondContact O-ND2 3.16Å; I244-N247 PolarHBondContact O-N 3.46Å; I245-N247 VanDerWaalsContact C-N 3.33Å; I245-N247 PolarHBondContact O-N 3.45Å; N247-G251 PolarHBondContact O-N 3.38Å; N247-G251 VanDerWaalsContact O-N 3.16Å; N247-H277 PolarHBondContact OD1-NE2 2.8Å; N247-H277 VanDerWaalsContact OD1-NE2 3.16Å
248	L	96.1	Very high	95.2	Very high	45 Å²	45	21.4 Å²	21.4	24%	0.236	15%	0.145	C	C	.	.	H	α-helix	trans	-62.3	-48.6	175.7	-175	159.7	0	0	0	110.6	C222 L225 V226 I244 I245 A250 G251 I252	C222-L248 HydrophobicContact CB-CD1 3.77Å; L225-L248 HydrophobicContact CB-CD2 3.53Å; L225-L248 HydrophobicContact CD1-CD2 3.97Å; L225-L248 HydrophobicContact CG-CD2 4.33Å; V226-L248 HydrophobicContact CG1-CD1 4.47Å; V226-L248 HydrophobicContact CG1-CD2 4.17Å; I244-L248 WeakPolarHBondContact O-CB 3.3Å; I244-L248 PolarHBondContact O-N 2.97Å; I245-L248 PolarHBondContact O-N 3.49Å; L248-A250 PolarHBondContact O-N 2.71Å; L248-G251 WeakPolarHBondContact O-CA 3.44Å; L248-G251 PolarHBondContact O-N 2.86Å; L248-G251 VanDerWaalsContact O-N 3.08Å; L248-I252 HydrophobicContact CD2-CD1 3.57Å; L248-I252 HydrophobicContact CD2-CG1 4.28Å; L248-I252 PolarHBondContact O-N 2.96Å
249	A	97	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-37.4	-178.7	0	0	0	0	0	112.1	I113 F128 I130 I245 G251 I252 V253	I113-A249 HydrophobicContact CB-CB 4.47Å; I113-A249 HydrophobicContact CD1-CB 3.59Å; I113-A249 HydrophobicContact CG1-CB 3.69Å; I113-A249 HydrophobicContact CG2-CB 4.04Å; F128-A249 HydrophobicContact CE2-CB 4.22Å; F128-A249 HydrophobicContact CZ-CB 3.85Å; I130-A249 HydrophobicContact CD1-CB 3.77Å; I245-A249 WeakPolarHBondContact O-CB 3.32Å; I245-A249 PolarHBondContact O-N 3.37Å; A249-G251 VanDerWaalsContact C-N 3.27Å; A249-G251 PolarHBondContact O-N 3.11Å; A249-I252 WeakPolarHBondContact O-CB 3.43Å; A249-I252 PolarHBondContact O-N 3.07Å; A249-V253 PolarHBondContact O-N 2.87Å
250	A	95.4	Very high	95.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-40.9	170	0	0	0	0	0	112	D246 L248 I252 V253 G254 G255 V259 A275	D246-A250 VanDerWaalsContact O-CB 3.31Å; D246-A250 WeakPolarHBondContact O-CB 3.28Å; D246-A250 PolarHBondContact O-N 3.13Å; L248-A250 PolarHBondContact O-N 2.71Å; A250-I252 PolarHBondContact O-N 2.76Å; A250-V253 PolarHBondContact O-N 2.89Å; A250-G254 PolarHBondContact O-N 3.4Å; A250-G255 VanDerWaalsContact O-CA 3.23Å; A250-G255 WeakPolarHBondContact O-CA 3.5Å; A250-G255 PolarHBondContact O-N 3.18Å; A250-V259 HydrophobicContact CB-CB 4.32Å; A250-V259 HydrophobicContact CB-CG2 3.78Å; A250-A275 HydrophobicContact CB-CB 3.72Å
251	G	94.6	Very high	95.1	Very high	58 Å²	58	19.2 Å²	19.2	60%	0.598	14%	0.137	S	C	*	.	H	α-helix	trans	-61.2	-28.5	173.7	0	0	0	0	0	114.4	N247 L248 A249	N247-G251 PolarHBondContact O-N 3.38Å; N247-G251 VanDerWaalsContact O-N 3.16Å; L248-G251 WeakPolarHBondContact O-CA 3.44Å; L248-G251 PolarHBondContact O-N 2.86Å; L248-G251 VanDerWaalsContact O-N 3.08Å; A249-G251 VanDerWaalsContact C-N 3.27Å; A249-G251 PolarHBondContact O-N 3.11Å
252	I	95.4	Very high	95.1	Very high	14 Å²	14	21.3 Å²	21.3	7%	0.072	15%	0.146	C	C	.	.	H	α-helix	trans	-72.9	-38.3	178.4	-67.3	169.3	0	0	0	111.5	T121 V126 L225 P229 L248 A249 A250	T121-I252 WeakPolarHBondContact CG2-O 3.42Å; V126-I252 HydrophobicContact CG2-CG2 4.44Å; L225-I252 HydrophobicContact CB-CD1 3.84Å; L225-I252 HydrophobicContact CD2-CD1 4.43Å; L225-I252 WeakPolarHBondContact O-CD1 3.37Å; P229-I252 HydrophobicContact CB-CD1 4.3Å; P229-I252 HydrophobicContact CB-CG2 4.42Å; P229-I252 HydrophobicContact CG-CG2 4.05Å; L248-I252 HydrophobicContact CD2-CD1 3.57Å; L248-I252 HydrophobicContact CD2-CG1 4.28Å; L248-I252 PolarHBondContact O-N 2.96Å; A249-I252 WeakPolarHBondContact O-CB 3.43Å; A249-I252 PolarHBondContact O-N 3.07Å; A250-I252 PolarHBondContact O-N 2.76Å
253	V	95.7	Very high	95.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-96.1	3.1	-172.7	-62.6	0	0	0	0	115.2	I113 V126 A249 A250 V258 V259	I113-V253 HydrophobicContact CG2-CB 4.43Å; I113-V253 HydrophobicContact CG2-CG1 3.44Å; I113-V253 VanDerWaalsContact CG2-CG1 3.44Å; I113-V253 HydrophobicContact CG2-CG2 4.13Å; V126-V253 HydrophobicContact CG2-CG1 3.53Å; A249-V253 PolarHBondContact O-N 2.87Å; A250-V253 PolarHBondContact O-N 2.89Å; V253-V258 HydrophobicContact CG2-CG2 4.43Å; V253-V259 HydrophobicContact CG2-CG2 3.53Å
254	G	92.6	Very high	95.4	Very high	27 Å²	27	20.4 Å²	20.4	28%	0.278	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	126.1	-7.1	173.6	0	0	0	0	0	115.2	A250	A250-G254 PolarHBondContact O-N 3.4Å
255	G	93	Very high	95.4	Very high	21 Å²	21	17.2 Å²	17.2	22%	0.216	13%	0.128	C	C	.	.			trans	120.5	175	175.9	0	0	0	0	0	113.3	A250 G257 V258	A250-G255 VanDerWaalsContact O-CA 3.23Å; A250-G255 WeakPolarHBondContact O-CA 3.5Å; A250-G255 PolarHBondContact O-N 3.18Å; G255-G257 PolarHBondContact O-N 2.87Å; G255-V258 VanDerWaalsContact O-CG2 3.25Å; G255-V258 WeakPolarHBondContact O-CG2 3.29Å; G255-V258 PolarHBondContact O-N 2.87Å
256	A	91.1	Very high	94.9	Very high	22 Å²	22	21.4 Å²	21.4	18%	0.182	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62	-27.6	-176.6	0	0	0	0	0	114.4	V258 V259 A275 H277	A256-V258 PolarHBondContact O-N 3.4Å; A256-V258 VanDerWaalsContact O-N 3.13Å; A256-V259 PolarHBondContact O-N 3.5Å; A256-A275 HydrophobicContact CB-CB 3.6Å; A256-H277 HydrophobicContact CB-CB 4.3Å; A256-H277 WeakPolarHBondContact CB-CD2 3.25Å
257	G	92.7	Very high	94.7	Very high	18 Å²	18	28.5 Å²	28.5	19%	0.186	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-63.3	-16.2	-179.1	0	0	0	0	0	114.4	G255 T291 A292	G255-G257 PolarHBondContact O-N 2.87Å; G257-T291 WeakPolarHBondContact O-CB 3.23Å; G257-A292 VanDerWaalsContact O-CB 3.25Å; G257-A292 WeakPolarHBondContact O-CB 3.22Å; G257-A292 PolarHBondContact O-N 2.99Å
258	V	94.7	Very high	94.8	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.055	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-114.9	1.4	-177.6	-59.8	0	0	0	0	114.3	L116 V253 G255 A256 T291 L331	L116-V258 HydrophobicContact CD1-CB 4.02Å; L116-V258 HydrophobicContact CD1-CG1 4.38Å; V253-V258 HydrophobicContact CG2-CG2 4.43Å; G255-V258 VanDerWaalsContact O-CG2 3.25Å; G255-V258 WeakPolarHBondContact O-CG2 3.29Å; G255-V258 PolarHBondContact O-N 2.87Å; A256-V258 PolarHBondContact O-N 3.4Å; A256-V258 VanDerWaalsContact O-N 3.13Å; V258-T291 HydrophobicContact CB-CG2 4.15Å; V258-T291 HydrophobicContact CG1-CG2 3.97Å; V258-L331 HydrophobicContact CG1-CD1 4.43Å; V258-L331 HydrophobicContact CG1-CD2 3.89Å
259	V	96.2	Very high	94.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	18%	0.178	C	C	.	.			trans	-105.4	116.8	-176.2	177.2	0	0	0	0	111	V111 I113 A250 V253 A256 G274 A292	V111-V259 HydrophobicContact CG1-CG1 3.34Å; I113-V259 HydrophobicContact CD1-CG1 3.76Å; I113-V259 HydrophobicContact CD1-CG2 4.29Å; A250-V259 HydrophobicContact CB-CB 4.32Å; A250-V259 HydrophobicContact CB-CG2 3.78Å; V253-V259 HydrophobicContact CG2-CG2 3.53Å; A256-V259 PolarHBondContact O-N 3.5Å; V259-G274 PolarHBondContact O-N 2.83Å; V259-A292 WeakPolarHBondContact O-CB 3.48Å
260	A	96.2	Very high	94.9	Very high	10 Å²	10	25.3 Å²	25.3	8%	0.083	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	151	176	0	0	0	0	0	111.7	H112 I295 C296	H112-A260 PolarHBondContact N-O 3.33Å; A260-I295 HydrophobicContact CB-CB 3.85Å; A260-I295 HydrophobicContact CB-CG2 3.36Å; A260-C296 VanDerWaalsContact CB-SG 3.56Å
261	G	96.4	Very high	95	Very high	8 Å²	8	25.4 Å²	25.4	8%	0.082	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	176.8	174.7	0	0	0	0	0	112.5	V110 E272	V110-G261 CarbonylContact O-C 3.53Å; V110-G261 WeakPolarHBondContact O-CA 3.39Å; G261-E272 CarbonylContact C-O 3.57Å; G261-E272 VanDerWaalsContact CA-O 3.27Å; G261-E272 WeakPolarHBondContact CA-O 3.14Å; G261-E272 PolarHBondContact N-O 2.91Å; G261-E272 PolarHBondContact O-N 3.44Å
262	K	97.3	Very high	95.1	Very high	56 Å²	56	23.1 Å²	23.1	24%	0.243	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.3	171.3	59.9	-177.4	-179.9	-176.8	0	109.8	N109 V110 V264 V269 V270 F271	N109-K262 CarbonylContact C-O 3.47Å; N109-K262 WeakPolarHBondContact CA-O 3.28Å; N109-K262 PolarHBondContact ND2-O 2.79Å; V110-K262 HydrophobicContact CB-CG 4.03Å; V110-K262 PolarHBondContact N-O 3.42Å; V110-K262 PolarHBondContact O-N 2.97Å; K262-V264 HydrophobicContact CD-CG2 4.09Å; K262-V264 HydrophobicContact CG-CG2 4.04Å; K262-V269 HydrophobicContact CB-CG1 4.06Å; K262-V269 HydrophobicContact CD-CG1 4.2Å; K262-V270 CarbonylContact C-O 3.58Å; K262-V270 VanDerWaalsContact CA-O 3.3Å; K262-V270 WeakPolarHBondContact CA-O 3.25Å; K262-F271 HydrophobicContact CB-CD1 3.91Å; K262-F271 HydrophobicContact CB-CE1 4.09Å; K262-F271 HydrophobicContact CB-CG 4.41Å; K262-F271 HydrophobicContact CD-CE1 3.96Å; K262-F271 HydrophobicContact CD-CZ 4.38Å
263	S	97.4	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	124.7	169.7	-59.2	0	0	0	0	107.4	A108 N109 Q134 V269 V270 E272	A108-S263 CarbonylContact O-C 3.46Å; A108-S263 WeakPolarHBondContact O-CA 3.3Å; N109-S263 PolarHBondContact ND2-OG 3.24Å; N109-S263 VanDerWaalsContact ND2-OG 3.14Å; Q134-S263 PolarHBondContact NE2-OG 3.06Å; Q134-S263 PolarHBondContact OE1-OG 3.16Å; S263-V269 WeakPolarHBondContact O-CA 3.34Å; S263-V270 PolarHBondContact N-O 3.47Å; S263-V270 PolarHBondContact O-N 2.92Å; S263-E272 PolarHBondContact OG-OE1 2.96Å
264	V	97.9	Very high	94.6	Very high	17 Å²	17	23.6 Å²	23.6	10%	0.103	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125	-170.1	179.9	0	0	0	0	108.2	L106 F107 A108 Y168 K262 V269	L106-V264 CarbonylContact C-O 3.33Å; L106-V264 WeakPolarHBondContact CA-O 3.41Å; F107-V264 WeakPolarHBondContact CD1-O 3.25Å; F107-V264 PolarHBondContact N-O 3.16Å; A108-V264 HydrophobicContact CB-CB 4.4Å; A108-V264 PolarHBondContact N-O 3.32Å; A108-V264 VanDerWaalsContact N-O 3.13Å; A108-V264 PolarHBondContact O-N 2.95Å; Y168-V264 HydrophobicContact CE2-CG1 4.17Å; K262-V264 HydrophobicContact CD-CG2 4.09Å; K262-V264 HydrophobicContact CG-CG2 4.04Å; V264-V269 HydrophobicContact CG1-CG2 4.44Å; V264-V269 HydrophobicContact CG2-CG1 4.23Å
265	G	95.3	Very high	94	Very high	7 Å²	7	22.5 Å²	22.5	7%	0.072	15%	0.146	C	C	.	.			trans	-109.4	-174.1	166.5	0	0	0	0	0	111.1	D105 C268	D105-G265 WeakPolarHBondContact O-CA 3.46Å; G265-C268 PolarHBondContact N-O 2.79Å
266	S	88.9	Confident	92.9	Very high	87 Å²	87	24.7 Å²	24.7	61%	0.608	15%	0.148	S	C	*	.	S	Bend	trans	-65.7	-41.1	178.6	-64.7	0	0	0	0	112.9
267	D	90.3	Very high	91.9	Very high	152 Å²	152	28.6 Å²	28.6	81%	0.813	16%	0.162	S	C	*	.	S	Bend	trans	-115.1	-6.3	-172.5	-53.7	-54.6	0	0	0	113.6
268	C	96.4	Very high	90.3	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.054	17%	0.165	C	C	.	.			trans	-148.2	158.3	-176.4	66.5	0	0	0	0	114.6	V71 G75 G265	V71-C268 HydrophobicContact CG1-CB 4.15Å; G75-C268 CarbonylContact O-C 3.54Å; G75-C268 WeakPolarHBondContact O-CA 3.34Å; G75-C268 VanDerWaalsContact O-CB 3.29Å; G75-C268 WeakPolarHBondContact O-CB 3.21Å; G265-C268 PolarHBondContact N-O 2.79Å
269	V	97.8	Very high	89.3	Confident	13 Å²	13	33.7 Å²	33.7	8%	0.079	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129	177	-174.4	0	0	0	0	110.6	G75 V76 A77 K262 S263 V264 F271	G75-V269 PolarHBondContact O-N 3.22Å; V76-V269 WeakPolarHBondContact CA-O 3.36Å; A77-V269 PolarHBondContact N-O 3.13Å; K262-V269 HydrophobicContact CB-CG1 4.06Å; K262-V269 HydrophobicContact CD-CG1 4.2Å; S263-V269 WeakPolarHBondContact O-CA 3.34Å; V264-V269 HydrophobicContact CG1-CG2 4.44Å; V264-V269 HydrophobicContact CG2-CG1 4.23Å; V269-F271 HydrophobicContact CB-CE2 4.07Å; V269-F271 HydrophobicContact CG1-CD2 4.01Å; V269-F271 HydrophobicContact CG1-CE1 4.48Å; V269-F271 HydrophobicContact CG1-CE2 3.5Å; V269-F271 HydrophobicContact CG1-CZ 3.77Å
270	V	97.9	Very high	88	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.3	174.9	-177.8	0	0	0	0	109.4	V71 A77 K79 L104 L106 K262 S263	V71-V270 HydrophobicContact CG1-CG2 4.11Å; A77-V270 HydrophobicContact CB-CG1 4.28Å; A77-V270 HydrophobicContact CB-CG2 4.09Å; A77-V270 CarbonylContact O-C 3.56Å; A77-V270 WeakPolarHBondContact O-CA 3.14Å; K79-V270 HydrophobicContact CB-CG1 3.74Å; K79-V270 HydrophobicContact CD-CG1 4.28Å; L104-V270 HydrophobicContact CD1-CG2 4.38Å; L106-V270 HydrophobicContact CD1-CB 4.08Å; L106-V270 HydrophobicContact CD1-CG2 3.55Å; L106-V270 HydrophobicContact CD2-CG2 4.16Å; K262-V270 CarbonylContact C-O 3.58Å; K262-V270 VanDerWaalsContact CA-O 3.3Å; K262-V270 WeakPolarHBondContact CA-O 3.25Å; S263-V270 PolarHBondContact N-O 3.47Å; S263-V270 PolarHBondContact O-N 2.92Å
271	F	98.1	Very high	86.9	Confident	3 Å²	3	44.2 Å²	44.2	1%	0.013	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	128.3	174.4	-67.3	-92.8	0	0	0	110.1	V76 A77 L78 K79 K262 V269 C296 M300 H303	V76-F271 HydrophobicContact CG2-CD2 4.08Å; V76-F271 HydrophobicContact CG2-CE2 3.97Å; A77-F271 PolarHBondContact O-N 2.86Å; L78-F271 HydrophobicContact CD1-CB 3.98Å; K79-F271 PolarHBondContact N-O 3.31Å; K262-F271 HydrophobicContact CB-CD1 3.91Å; K262-F271 HydrophobicContact CB-CE1 4.09Å; K262-F271 HydrophobicContact CB-CG 4.41Å; K262-F271 HydrophobicContact CD-CE1 3.96Å; K262-F271 HydrophobicContact CD-CZ 4.38Å; V269-F271 HydrophobicContact CB-CE2 4.07Å; V269-F271 HydrophobicContact CG1-CD2 4.01Å; V269-F271 HydrophobicContact CG1-CE1 4.48Å; V269-F271 HydrophobicContact CG1-CE2 3.5Å; V269-F271 HydrophobicContact CG1-CZ 3.77Å; F271-C296 HydrophobicContact CB-CB 4.16Å; F271-M300 HydrophobicContact CD1-CB 4.1Å; F271-M300 HydrophobicContact CD2-CB 3.6Å; F271-M300 HydrophobicContact CD2-CG 3.64Å; F271-M300 HydrophobicContact CD2-SD 4.28Å; F271-M300 HydrophobicContact CE1-CB 4.2Å; F271-M300 HydrophobicContact CE2-CB 3.72Å; F271-M300 HydrophobicContact CE2-CG 3.76Å; F271-M300 HydrophobicContact CG-CB 3.81Å; F271-M300 HydrophobicContact CG-CG 4.3Å; F271-M300 VanDerWaalsContact CZ-CA 3.5Å; F271-M300 HydrophobicContact CZ-CB 4.02Å; F271-M300 HydrophobicContact CZ-CG 4.49Å; F271-H303 HydrophobicContact CE2-CB 4.31Å; F271-H303 HydrophobicContact CZ-CB 3.81Å
272	E	95.3	Very high	86	Confident	11 Å²	11	43.8 Å²	43.8	5%	0.051	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	154.1	178.7	62.3	179.4	163	0	0	110.3	K79 G261 S263 G274 R276 C296	K79-E272 HydrophobicContact CB-CB 4.34Å; K79-E272 IonicContact NZ-OE2 3.63Å; K79-E272 PolarHBondContact NZ-OE2 3.36Å; K79-E272 WeakPolarHBondContact O-CB 3.4Å; G261-E272 CarbonylContact C-O 3.57Å; G261-E272 VanDerWaalsContact CA-O 3.27Å; G261-E272 WeakPolarHBondContact CA-O 3.14Å; G261-E272 PolarHBondContact N-O 2.91Å; G261-E272 PolarHBondContact O-N 3.44Å; S263-E272 PolarHBondContact OG-OE1 2.96Å; E272-G274 PolarHBondContact O-N 3.43Å; E272-R276 IonicContact OE1-NH2 2.71Å; E272-R276 PolarHBondContact OE1-NH2 3.31Å; E272-R276 IonicContact OE2-NH2 3.62Å; E272-C296 PolarHBondContact O-SG 2.76Å; E272-C296 VanDerWaalsContact O-SG 3.39Å
273	P	93.6	Very high	85.3	Confident	19 Å²	19	43.4 Å²	43.4	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	137.8	173.4	-27.5	35.8	0	0	0	112.1	A275 A292	P273-A275 VanDerWaalsContact C-N 3.31Å; P273-A275 PolarHBondContact O-N 2.91Å; P273-A292 HydrophobicContact CB-CB 4.15Å; P273-A292 HydrophobicContact CG-CB 4.42Å
274	G	87.1	Confident	84.6	Confident	6 Å²	6	46.7 Å²	46.7	6%	0.062	26%	0.262	C	S	.	.	S	Bend	trans	-73.7	-20.7	-171.7	0	0	0	0	0	114.1	V259 E272	V259-G274 PolarHBondContact O-N 2.83Å; E272-G274 PolarHBondContact O-N 3.43Å
275	A	80.9	Confident	84.1	Confident	4 Å²	4	53.9 Å²	53.9	3%	0.033	29%	0.288	C	S	.	.	S	Bend	trans	-113.7	135.5	174.5	0	0	0	0	0	111.4	A250 A256 P273 H277	A250-A275 HydrophobicContact CB-CB 3.72Å; A256-A275 HydrophobicContact CB-CB 3.6Å; P273-A275 VanDerWaalsContact C-N 3.31Å; P273-A275 PolarHBondContact O-N 2.91Å; A275-H277 PolarHBondContact O-N 2.93Å
276	R	70.4	Confident	83.8	Confident	67 Å²	67	54.5 Å²	54.5	25%	0.253	29%	0.294	S	S	.	.			trans	-93.1	81.2	-171.9	-67.3	178	179	-103.7	-19.8	110.9	S97 R101 E272	S97-R276 VanDerWaalsContact CB-NH1 3.35Å; S97-R276 PolarHBondContact OG-NH1 3.11Å; R101-R276 VanDerWaalsContact NH2-CZ 3.25Å; E272-R276 IonicContact OE1-NH2 2.71Å; E272-R276 PolarHBondContact OE1-NH2 3.31Å; E272-R276 IonicContact OE2-NH2 3.62Å
277	H	68.7	Low	83.9	Confident	103 Å²	103	52.6 Å²	52.6	48%	0.477	28%	0.276	S	S	.	.			trans	-117.5	123.5	168.1	-63.5	-88.4	0	0	0	110	N247 A256 A275 F279	N247-H277 PolarHBondContact OD1-NE2 2.8Å; N247-H277 VanDerWaalsContact OD1-NE2 3.16Å; A256-H277 HydrophobicContact CB-CB 4.3Å; A256-H277 WeakPolarHBondContact CB-CD2 3.25Å; A275-H277 PolarHBondContact O-N 2.93Å; H277-F279 VanDerWaalsContact C-N 3.29Å
278	S	60.5	Low	84	Confident	34 Å²	34	45.4 Å²	45.4	24%	0.238	24%	0.238	C	C	.	.			trans	-81.6	-11.9	179.3	61.7	0	0	0	0	114	H280	S278-H280 WeakPolarHBondContact CB-CE1 3.25Å; S278-H280 VanDerWaalsContact CB-NE2 3.33Å; S278-H280 WeakPolarHBondContact CB-NE2 3.27Å; S278-H280 PolarHBondContact O-N 3.04Å; S278-H280 PolarHBondContact OG-CD2 3.41Å; S278-H280 PolarHBondContact OG-CE1 3.19Å; S278-H280 PolarHBondContact OG-NE2 2.98Å
279	F	73.3	Confident	83.9	Confident	100 Å²	100	45.6 Å²	45.6	44%	0.439	24%	0.239	S	C	.	.			trans	38.8	47.5	177.4	-162.6	-140.2	0	0	0	113.3	V26 H277 E281 A282	V26-F279 HydrophobicContact CG2-CB 4.39Å; V26-F279 WeakPolarHBondContact CG2-O 3.44Å; H277-F279 VanDerWaalsContact C-N 3.29Å; F279-E281 PolarHBondContact O-N 3.42Å; F279-E281 VanDerWaalsContact O-N 3.1Å; F279-A282 HydrophobicContact CD1-CB 3.22Å; F279-A282 HydrophobicContact CE1-CB 3.21Å; F279-A282 HydrophobicContact CG-CB 3.93Å; F279-A282 HydrophobicContact CZ-CB 3.9Å; F279-A282 WeakPolarHBondContact O-CB 3.37Å; F279-A282 PolarHBondContact O-N 3.12Å
280	H	68.2	Low	83.8	Confident	77 Å²	77	45 Å²	45	36%	0.356	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-55	-36.7	-168	-70.3	-41.7	0	0	0	114.2	R83 S278 A282 T283	R83-H280 WeakPolarHBondContact CG-CE1 3.38Å; S278-H280 WeakPolarHBondContact CB-CE1 3.25Å; S278-H280 VanDerWaalsContact CB-NE2 3.33Å; S278-H280 WeakPolarHBondContact CB-NE2 3.27Å; S278-H280 PolarHBondContact O-N 3.04Å; S278-H280 PolarHBondContact OG-CD2 3.41Å; S278-H280 PolarHBondContact OG-CE1 3.19Å; S278-H280 PolarHBondContact OG-NE2 2.98Å; H280-A282 PolarHBondContact O-N 3.34Å; H280-A282 VanDerWaalsContact O-N 3.1Å; H280-T283 VanDerWaalsContact O-CB 3.28Å; H280-T283 WeakPolarHBondContact O-CB 3.44Å; H280-T283 PolarHBondContact O-N 2.81Å; H280-T283 PolarHBondContact O-OG1 3.03Å
281	E	74.1	Confident	83.7	Confident	155 Å²	155	45 Å²	45	72%	0.724	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-59.7	-20.2	179.4	-60.8	180	173.8	0	0	113.6	F279 R285	F279-E281 PolarHBondContact O-N 3.42Å; F279-E281 VanDerWaalsContact O-N 3.1Å; E281-R285 WeakPolarHBondContact O-CD 3.24Å; E281-R285 PolarHBondContact O-NE 3.33Å; E281-R285 VanDerWaalsContact O-NE 3.08Å; E281-R285 PolarHBondContact O-NH1 3.25Å
282	A	76.7	Confident	83.6	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-92.5	-5.2	177.1	0	0	0	0	0	114.5	V26 F279 H280 G284 R285 I287	V26-A282 HydrophobicContact CG2-CB 3.92Å; F279-A282 HydrophobicContact CD1-CB 3.22Å; F279-A282 HydrophobicContact CE1-CB 3.21Å; F279-A282 HydrophobicContact CG-CB 3.93Å; F279-A282 HydrophobicContact CZ-CB 3.9Å; F279-A282 WeakPolarHBondContact O-CB 3.37Å; F279-A282 PolarHBondContact O-N 3.12Å; H280-A282 PolarHBondContact O-N 3.34Å; H280-A282 VanDerWaalsContact O-N 3.1Å; A282-G284 PolarHBondContact O-N 3.29Å; A282-R285 WeakPolarHBondContact O-CB 3.37Å; A282-R285 PolarHBondContact O-N 3.43Å; A282-I287 HydrophobicContact CB-CD1 3.91Å; A282-I287 HydrophobicContact CB-CG1 3.6Å
283	T	82.4	Confident	83.7	Confident	47 Å²	47	44.6 Å²	44.6	29%	0.288	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	129.3	-179.5	-58.9	0	0	0	0	111	G25 H280 R285	G25-T283 VanDerWaalsContact CA-CG2 3.4Å; H280-T283 VanDerWaalsContact O-CB 3.28Å; H280-T283 WeakPolarHBondContact O-CB 3.44Å; H280-T283 PolarHBondContact O-N 2.81Å; H280-T283 PolarHBondContact O-OG1 3.03Å; T283-R285 PolarHBondContact O-N 3.32Å
284	G	83.5	Confident	83.9	Confident	69 Å²	69	43.7 Å²	43.7	71%	0.711	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.6	3.5	-179.9	0	0	0	0	0	114.3	E29 A282	E29-G284 WeakPolarHBondContact OE1-CA 3.28Å; E29-G284 PolarHBondContact OE1-N 3.38Å; A282-G284 PolarHBondContact O-N 3.29Å
285	R	87	Confident	84.4	Confident	169 Å²	169	44.1 Å²	44.1	64%	0.638	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-13	-177.8	-58.8	-172.3	-176.5	178.6	4	113.1	E281 A282 T283 I287	E281-R285 WeakPolarHBondContact O-CD 3.24Å; E281-R285 PolarHBondContact O-NE 3.33Å; E281-R285 VanDerWaalsContact O-NE 3.08Å; E281-R285 PolarHBondContact O-NH1 3.25Å; A282-R285 WeakPolarHBondContact O-CB 3.37Å; A282-R285 PolarHBondContact O-N 3.43Å; T283-R285 PolarHBondContact O-N 3.32Å; R285-I287 HydrophobicContact CB-CD1 4.2Å; R285-I287 HydrophobicContact CB-CG1 4.04Å; R285-I287 HydrophobicContact CB-CG2 4.27Å; R285-I287 PolarHBondContact O-N 2.77Å
286	G	89.1	Confident	85.3	Confident	20 Å²	20	43.9 Å²	43.9	21%	0.206	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	32	-179.2	0	0	0	0	0	113	E29 S336 T337	E29-G286 WeakPolarHBondContact OE2-CA 3.29Å; E29-G286 PolarHBondContact OE2-N 3.27Å; E29-G286 VanDerWaalsContact OE2-N 3.16Å; G286-S336 CarbonylContact O-C 3.19Å; G286-S336 VanDerWaalsContact O-CA 3.23Å; G286-S336 WeakPolarHBondContact O-CA 3.41Å; G286-S336 WeakPolarHBondContact O-CB 3.48Å; G286-T337 PolarHBondContact O-N 2.92Å; G286-T337 PolarHBondContact O-OG1 3.1Å
287	I	91.5	Very high	86.6	Confident	46 Å²	46	40.8 Å²	40.8	24%	0.236	22%	0.215	C	C	.	.			trans	-112.6	4.6	-179.6	65.6	177.2	0	0	0	112.9	A282 R285	A282-I287 HydrophobicContact CB-CD1 3.91Å; A282-I287 HydrophobicContact CB-CG1 3.6Å; R285-I287 HydrophobicContact CB-CD1 4.2Å; R285-I287 HydrophobicContact CB-CG1 4.04Å; R285-I287 HydrophobicContact CB-CG2 4.27Å; R285-I287 PolarHBondContact O-N 2.77Å
288	A	91.3	Very high	88	Confident	2 Å²	2	35.9 Å²	35.9	2%	0.017	19%	0.193	C	C	.	.			trans	-71.4	138.4	179.6	0	0	0	0	0	110.8	V26 L30 P290 T337	V26-A288 HydrophobicContact CB-CB 4.44Å; V26-A288 HydrophobicContact CG1-CB 3.38Å; V26-A288 HydrophobicContact CG2-CB 4.39Å; L30-A288 HydrophobicContact CD2-CB 3.85Å; L30-A288 HydrophobicContact CG-CB 4.38Å; A288-P290 VanDerWaalsContact O-CD 3.29Å; A288-P290 WeakPolarHBondContact O-CD 3.25Å; A288-T337 PolarHBondContact N-OG1 3.39Å; A288-T337 WeakPolarHBondContact O-CB 3.37Å; A288-T337 PolarHBondContact O-OG1 3.04Å
289	N	94	Very high	89.8	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.064	20%	0.196	C	C	.	.			trans	-78.2	115.4	176.7	-174	-8.9	0	0	0	110.9	T291 T328 D330 L331	N289-T291 VanDerWaalsContact C-N 3.29Å; N289-T291 PolarHBondContact O-N 2.66Å; N289-T291 WeakPolarHBondContact OD1-CB 3.4Å; N289-T291 PolarHBondContact OD1-N 2.96Å; N289-T291 PolarHBondContact OD1-OG1 2.64Å; N289-T328 HydrophobicContact CB-CG2 4.28Å; N289-T328 WeakPolarHBondContact CB-OG1 3.47Å; N289-T328 VanDerWaalsContact CG-OG1 3.31Å; N289-T328 PolarHBondContact ND2-OG1 2.97Å; N289-D330 WeakPolarHBondContact CB-OD1 3.49Å; N289-D330 WeakPolarHBondContact CB-OD2 3.42Å; N289-D330 PolarHBondContact ND2-OD2 3.02Å; N289-L331 WeakPolarHBondContact ND2-CD1 3.37Å
290	P	95.9	Very high	91	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.			trans	-84.1	1.1	-179.3	36.4	-35	0	0	0	114.1	L30 S33 A288 A292 V293 L294 T337 F340	L30-P290 HydrophobicContact CD2-CB 3.92Å; S33-P290 WeakPolarHBondContact OG-CB 3.43Å; A288-P290 VanDerWaalsContact O-CD 3.29Å; A288-P290 WeakPolarHBondContact O-CD 3.25Å; P290-A292 PolarHBondContact O-N 3.45Å; P290-V293 HydrophobicContact CB-CG1 4.27Å; P290-V293 VanDerWaalsContact O-CG1 3.24Å; P290-V293 WeakPolarHBondContact O-CG1 3.33Å; P290-V293 PolarHBondContact O-N 2.68Å; P290-L294 HydrophobicContact CB-CD1 3.98Å; P290-L294 HydrophobicContact CB-CG 4.3Å; P290-L294 HydrophobicContact CG-CD1 4.06Å; P290-L294 WeakPolarHBondContact O-CB 3.23Å; P290-L294 VanDerWaalsContact O-CG 3.25Å; P290-L294 WeakPolarHBondContact O-CG 3.27Å; P290-L294 PolarHBondContact O-N 3.31Å; P290-T337 HydrophobicContact CB-CG2 4.23Å; P290-T337 HydrophobicContact CG-CG2 4.16Å; P290-F340 HydrophobicContact CG-CB 4.14Å; P290-F340 HydrophobicContact CG-CD1 3.57Å; P290-F340 HydrophobicContact CG-CE1 4.31Å; P290-F340 HydrophobicContact CG-CG 4.1Å
291	T	96.9	Very high	92.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-50.7	-55.8	-176.5	-62.7	0	0	0	0	112.5	L116 G257 V258 N289 V293 L294 I295 V317 I321 F340	L116-T291 HydrophobicContact CD1-CG2 3.96Å; G257-T291 WeakPolarHBondContact O-CB 3.23Å; V258-T291 HydrophobicContact CB-CG2 4.15Å; V258-T291 HydrophobicContact CG1-CG2 3.97Å; N289-T291 VanDerWaalsContact C-N 3.29Å; N289-T291 PolarHBondContact O-N 2.66Å; N289-T291 WeakPolarHBondContact OD1-CB 3.4Å; N289-T291 PolarHBondContact OD1-N 2.96Å; N289-T291 PolarHBondContact OD1-OG1 2.64Å; T291-V293 VanDerWaalsContact C-N 3.35Å; T291-V293 PolarHBondContact O-N 3.42Å; T291-L294 PolarHBondContact O-N 2.77Å; T291-I295 HydrophobicContact CG2-CD1 3.66Å; T291-I295 HydrophobicContact CG2-CG1 4.33Å; T291-I295 WeakPolarHBondContact O-CG1 3.33Å; T291-I295 PolarHBondContact O-N 3.34Å; T291-V317 HydrophobicContact CG2-CG1 3.98Å; T291-I321 HydrophobicContact CG2-CD1 3.44Å; T291-I321 VanDerWaalsContact CG2-CD1 3.44Å; T291-F340 WeakPolarHBondContact OG1-CZ 3.42Å
292	A	96.2	Very high	93.4	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.033	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-43.4	-176.6	0	0	0	0	0	112.6	G257 V259 P273 P290 I295 C296	G257-A292 VanDerWaalsContact O-CB 3.25Å; G257-A292 WeakPolarHBondContact O-CB 3.22Å; G257-A292 PolarHBondContact O-N 2.99Å; V259-A292 WeakPolarHBondContact O-CB 3.48Å; P273-A292 HydrophobicContact CB-CB 4.15Å; P273-A292 HydrophobicContact CG-CB 4.42Å; P290-A292 PolarHBondContact O-N 3.45Å; A292-I295 PolarHBondContact O-N 3.31Å; A292-C296 WeakPolarHBondContact O-CB 3.44Å; A292-C296 PolarHBondContact O-N 3.31Å; A292-C296 PolarHBondContact O-SG 3.42Å
293	V	96.4	Very high	94.3	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-72.7	-30.5	-178.8	76.4	0	0	0	0	111.9	L30 I31 V34 L78 P290 T291 C296 T297	L30-V293 HydrophobicContact CB-CB 4.45Å; L30-V293 HydrophobicContact CB-CG1 3.91Å; L30-V293 HydrophobicContact CD2-CG1 4.47Å; I31-V293 HydrophobicContact CD1-CG2 3.91Å; V34-V293 HydrophobicContact CG2-CB 4.27Å; V34-V293 HydrophobicContact CG2-CG1 3.67Å; V34-V293 HydrophobicContact CG2-CG2 3.81Å; L78-V293 HydrophobicContact CD1-CG2 4.24Å; P290-V293 HydrophobicContact CB-CG1 4.27Å; P290-V293 VanDerWaalsContact O-CG1 3.24Å; P290-V293 WeakPolarHBondContact O-CG1 3.33Å; P290-V293 PolarHBondContact O-N 2.68Å; T291-V293 VanDerWaalsContact C-N 3.35Å; T291-V293 PolarHBondContact O-N 3.42Å; V293-C296 WeakPolarHBondContact O-CB 3.36Å; V293-C296 PolarHBondContact O-N 2.81Å; V293-T297 PolarHBondContact O-N 3.31Å; V293-T297 PolarHBondContact O-OG1 3.37Å
294	L	98.2	Very high	94.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-71.1	-40.2	174	-68.1	169.9	0	0	0	111.3	V34 V37 P290 T291 C296 T297 A298 V317 F340 V344	V34-L294 HydrophobicContact CG2-CD2 4.1Å; V37-L294 HydrophobicContact CB-CD2 4.34Å; V37-L294 HydrophobicContact CG2-CD2 3.71Å; P290-L294 HydrophobicContact CB-CD1 3.98Å; P290-L294 HydrophobicContact CB-CG 4.3Å; P290-L294 HydrophobicContact CG-CD1 4.06Å; P290-L294 WeakPolarHBondContact O-CB 3.23Å; P290-L294 VanDerWaalsContact O-CG 3.25Å; P290-L294 WeakPolarHBondContact O-CG 3.27Å; P290-L294 PolarHBondContact O-N 3.31Å; T291-L294 PolarHBondContact O-N 2.77Å; L294-C296 VanDerWaalsContact C-N 3.33Å; L294-T297 WeakPolarHBondContact O-CB 3.33Å; L294-T297 PolarHBondContact O-N 2.64Å; L294-T297 VanDerWaalsContact O-N 3.13Å; L294-A298 PolarHBondContact O-N 3.05Å; L294-V317 HydrophobicContact CB-CG2 3.72Å; L294-V317 HydrophobicContact CD1-CG2 4.21Å; L294-F340 HydrophobicContact CD1-CD1 4.35Å; L294-F340 HydrophobicContact CD1-CE1 4.23Å; L294-V344 HydrophobicContact CD1-CG2 4.16Å
295	I	98.1	Very high	95.4	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.077	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-39.3	171.9	-66.8	174.8	0	0	0	110.8	L116 A260 T291 A292 T297 A298 S299 M314 V317	L116-I295 HydrophobicContact CD1-CD1 4.02Å; A260-I295 HydrophobicContact CB-CB 3.85Å; A260-I295 HydrophobicContact CB-CG2 3.36Å; T291-I295 HydrophobicContact CG2-CD1 3.66Å; T291-I295 HydrophobicContact CG2-CG1 4.33Å; T291-I295 WeakPolarHBondContact O-CG1 3.33Å; T291-I295 PolarHBondContact O-N 3.34Å; A292-I295 PolarHBondContact O-N 3.31Å; I295-T297 VanDerWaalsContact C-N 3.3Å; I295-T297 PolarHBondContact O-N 3.22Å; I295-A298 PolarHBondContact O-N 3.49Å; I295-S299 WeakPolarHBondContact O-CB 3.41Å; I295-S299 PolarHBondContact O-N 2.93Å; I295-S299 PolarHBondContact O-OG 3.23Å; I295-M314 HydrophobicContact CG1-SD 4.16Å; I295-M314 HydrophobicContact CG2-CE 3.9Å; I295-M314 HydrophobicContact CG2-SD 4.16Å; I295-V317 HydrophobicContact CD1-CG1 4.38Å; I295-V317 HydrophobicContact CG1-CG1 4Å
296	C	97.9	Very high	95.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.2	-44.6	170.8	-70.4	0	0	0	0	111.1	L78 A260 F271 E272 A292 V293 L294 S299 M300	L78-C296 HydrophobicContact CD1-CB 4.04Å; A260-C296 VanDerWaalsContact CB-SG 3.56Å; F271-C296 HydrophobicContact CB-CB 4.16Å; E272-C296 PolarHBondContact O-SG 2.76Å; E272-C296 VanDerWaalsContact O-SG 3.39Å; A292-C296 WeakPolarHBondContact O-CB 3.44Å; A292-C296 PolarHBondContact O-N 3.31Å; A292-C296 PolarHBondContact O-SG 3.42Å; V293-C296 WeakPolarHBondContact O-CB 3.36Å; V293-C296 PolarHBondContact O-N 2.81Å; L294-C296 VanDerWaalsContact C-N 3.33Å; C296-S299 PolarHBondContact O-N 3.3Å; C296-M300 WeakPolarHBondContact O-CB 3.24Å; C296-M300 PolarHBondContact O-N 2.87Å
297	T	98.3	Very high	96.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-45.5	178.4	-55.2	0	0	0	0	111.4	V34 V293 L294 I295 S299 M300 L301 L313	V34-T297 HydrophobicContact CG1-CG2 3.77Å; V34-T297 VanDerWaalsContact CG1-OG1 3.28Å; V34-T297 WeakPolarHBondContact CG1-OG1 3.31Å; V34-T297 WeakPolarHBondContact CG2-OG1 3.36Å; V293-T297 PolarHBondContact O-N 3.31Å; V293-T297 PolarHBondContact O-OG1 3.37Å; L294-T297 WeakPolarHBondContact O-CB 3.33Å; L294-T297 PolarHBondContact O-N 2.64Å; L294-T297 VanDerWaalsContact O-N 3.13Å; I295-T297 VanDerWaalsContact C-N 3.3Å; I295-T297 PolarHBondContact O-N 3.22Å; T297-S299 VanDerWaalsContact C-N 3.31Å; T297-S299 PolarHBondContact O-N 2.79Å; T297-M300 HydrophobicContact CG2-CE 4.15Å; T297-M300 WeakPolarHBondContact O-CB 3.23Å; T297-M300 PolarHBondContact O-N 2.59Å; T297-L301 HydrophobicContact CG2-CD1 4.33Å; T297-L301 VanDerWaalsContact O-CG 3.3Å; T297-L301 WeakPolarHBondContact O-CG 3.34Å; T297-L301 PolarHBondContact O-N 2.75Å; T297-L313 HydrophobicContact CG2-CD2 3.82Å
298	A	98.4	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-43.8	175.3	0	0	0	0	0	111.9	L294 I295 M300 L301 R302 G310 L313 M314	L294-A298 PolarHBondContact O-N 3.05Å; I295-A298 PolarHBondContact O-N 3.49Å; A298-M300 VanDerWaalsContact C-N 3.35Å; A298-M300 PolarHBondContact O-N 3.38Å; A298-L301 PolarHBondContact O-N 3.31Å; A298-R302 PolarHBondContact O-N 2.74Å; A298-R302 VanDerWaalsContact O-N 3.16Å; A298-G310 WeakPolarHBondContact CB-O 3.25Å; A298-L313 HydrophobicContact CB-CB 4.18Å; A298-L313 HydrophobicContact CB-CD2 4.18Å; A298-L313 HydrophobicContact CB-CG 4.09Å; A298-M314 HydrophobicContact CB-CB 4.05Å; A298-M314 HydrophobicContact CB-CE 3.99Å
299	S	97.7	Very high	96.7	Very high	44 Å²	44	32.4 Å²	32.4	31%	0.308	17%	0.172	S	C	.	.	H	α-helix	trans	-65.3	-38	176.8	-57.3	0	0	0	0	112.4	I295 C296 T297 R302 H303	I295-S299 WeakPolarHBondContact O-CB 3.41Å; I295-S299 PolarHBondContact O-N 2.93Å; I295-S299 PolarHBondContact O-OG 3.23Å; C296-S299 PolarHBondContact O-N 3.3Å; T297-S299 VanDerWaalsContact C-N 3.31Å; T297-S299 PolarHBondContact O-N 2.79Å; S299-R302 PolarHBondContact O-N 3.46Å; S299-H303 PolarHBondContact O-N 2.95Å
300	M	98.1	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-42.8	175.3	-177.8	-175.3	71	0	0	112.1	V18 L45 F47 V76 L78 F271 C296 T297 A298 R302 H303 L304	V18-M300 HydrophobicContact CB-SD 4.39Å; V18-M300 HydrophobicContact CG1-CE 4.23Å; V18-M300 HydrophobicContact CG1-SD 3.6Å; V18-M300 VanDerWaalsContact CG1-SD 3.6Å; V18-M300 HydrophobicContact CG2-CE 4.13Å; V18-M300 HydrophobicContact CG2-SD 3.9Å; L45-M300 HydrophobicContact CD2-CE 3.56Å; F47-M300 HydrophobicContact CE1-CE 4.21Å; V76-M300 HydrophobicContact CG2-CG 3.68Å; V76-M300 HydrophobicContact CG2-SD 4.03Å; L78-M300 HydrophobicContact CB-SD 4Å; F271-M300 HydrophobicContact CD1-CB 4.1Å; F271-M300 HydrophobicContact CD2-CB 3.6Å; F271-M300 HydrophobicContact CD2-CG 3.64Å; F271-M300 HydrophobicContact CD2-SD 4.28Å; F271-M300 HydrophobicContact CE1-CB 4.2Å; F271-M300 HydrophobicContact CE2-CB 3.72Å; F271-M300 HydrophobicContact CE2-CG 3.76Å; F271-M300 HydrophobicContact CG-CB 3.81Å; F271-M300 HydrophobicContact CG-CG 4.3Å; F271-M300 VanDerWaalsContact CZ-CA 3.5Å; F271-M300 HydrophobicContact CZ-CB 4.02Å; F271-M300 HydrophobicContact CZ-CG 4.49Å; C296-M300 WeakPolarHBondContact O-CB 3.24Å; C296-M300 PolarHBondContact O-N 2.87Å; T297-M300 HydrophobicContact CG2-CE 4.15Å; T297-M300 WeakPolarHBondContact O-CB 3.23Å; T297-M300 PolarHBondContact O-N 2.59Å; A298-M300 VanDerWaalsContact C-N 3.35Å; A298-M300 PolarHBondContact O-N 3.38Å; M300-R302 VanDerWaalsContact C-N 3.34Å; M300-R302 PolarHBondContact O-N 3.39Å; M300-H303 WeakPolarHBondContact O-CB 3.27Å; M300-H303 PolarHBondContact O-N 2.94Å; M300-H303 VanDerWaalsContact O-N 3.11Å; M300-L304 HydrophobicContact CG-CD1 4.17Å; M300-L304 WeakPolarHBondContact O-CG 3.5Å; M300-L304 PolarHBondContact O-N 2.96Å
301	L	97.8	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-44.5	176.2	-69.1	169.6	0	0	0	111.3	I43 L45 T297 A298 H303 L304 G305 L306 E309 L313	I43-L301 HydrophobicContact CD1-CD1 3.96Å; I43-L301 HydrophobicContact CG2-CD1 4.08Å; I43-L301 HydrophobicContact CG2-CD2 3.55Å; I43-L301 HydrophobicContact CG2-CG 4.48Å; L45-L301 HydrophobicContact CB-CD2 4.43Å; L45-L301 HydrophobicContact CD2-CD2 4.1Å; T297-L301 HydrophobicContact CG2-CD1 4.33Å; T297-L301 VanDerWaalsContact O-CG 3.3Å; T297-L301 WeakPolarHBondContact O-CG 3.34Å; T297-L301 PolarHBondContact O-N 2.75Å; A298-L301 PolarHBondContact O-N 3.31Å; L301-H303 VanDerWaalsContact C-N 3.3Å; L301-H303 PolarHBondContact O-N 3.36Å; L301-L304 PolarHBondContact O-N 2.7Å; L301-L304 VanDerWaalsContact O-N 3.11Å; L301-G305 PolarHBondContact O-N 2.8Å; L301-L306 CarbonylContact C-O 3.55Å; L301-L306 HydrophobicContact CB-CB 4.2Å; L301-L306 HydrophobicContact CD2-CB 4.32Å; L301-L306 HydrophobicContact CD2-CD1 3.71Å; L301-L306 CarbonylContact O-C 3.59Å; L301-L306 WeakPolarHBondContact O-CA 3.39Å; L301-L306 WeakPolarHBondContact O-CB 3.46Å; L301-L306 PolarHBondContact O-N 2.78Å; L301-E309 HydrophobicContact CD1-CB 4.23Å; L301-L313 HydrophobicContact CD1-CD2 4.02Å
302	R	95.8	Very high	97	Very high	122 Å²	122	35.2 Å²	35.2	46%	0.46	19%	0.188	S	C	.	.	H	α-helix	trans	-60	-39.7	173.2	-70.7	179.8	63.6	151.5	-10.2	112.6	A298 S299 M300 L304 G305 D311	A298-R302 PolarHBondContact O-N 2.74Å; A298-R302 VanDerWaalsContact O-N 3.16Å; S299-R302 PolarHBondContact O-N 3.46Å; M300-R302 VanDerWaalsContact C-N 3.34Å; M300-R302 PolarHBondContact O-N 3.39Å; R302-L304 VanDerWaalsContact C-N 3.28Å; R302-L304 PolarHBondContact O-N 2.98Å; R302-G305 PolarHBondContact O-N 3.48Å; R302-D311 WeakPolarHBondContact CD-OD1 3.4Å; R302-D311 IonicContact CZ-OD1 3.79Å; R302-D311 IonicContact NE-OD1 2.84Å; R302-D311 IonicContact NH1-OD1 3.88Å; R302-D311 PolarHBondContact NH1-OD1 3.49Å
303	H	95	Very high	97.2	Very high	99 Å²	99	35 Å²	35	46%	0.458	19%	0.187	S	C	.	.	H	α-helix	trans	-64.4	-33.3	176.5	177	67.7	0	0	0	112.5	F271 S299 M300 L301 G305	F271-H303 HydrophobicContact CE2-CB 4.31Å; F271-H303 HydrophobicContact CZ-CB 3.81Å; S299-H303 PolarHBondContact O-N 2.95Å; M300-H303 WeakPolarHBondContact O-CB 3.27Å; M300-H303 PolarHBondContact O-N 2.94Å; M300-H303 VanDerWaalsContact O-N 3.11Å; L301-H303 VanDerWaalsContact C-N 3.3Å; L301-H303 PolarHBondContact O-N 3.36Å; H303-G305 PolarHBondContact O-N 3.38Å
304	L	95.3	Very high	97.3	Very high	30 Å²	30	36.8 Å²	36.8	16%	0.157	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-1.4	176.2	-68.6	166.9	0	0	0	114	H16 V18 L45 V76 M300 L301 R302 L306	H16-L304 HydrophobicContact CB-CD1 4.12Å; H16-L304 HydrophobicContact CB-CD2 4.4Å; H16-L304 PolarHBondContact CE1-O 3.03Å; H16-L304 PolarHBondContact NE2-O 2.84Å; V18-L304 HydrophobicContact CG2-CD1 3.7Å; L45-L304 HydrophobicContact CD1-CD1 3.97Å; V76-L304 HydrophobicContact CB-CD2 4.44Å; V76-L304 HydrophobicContact CG1-CD2 3.68Å; M300-L304 HydrophobicContact CG-CD1 4.17Å; M300-L304 WeakPolarHBondContact O-CG 3.5Å; M300-L304 PolarHBondContact O-N 2.96Å; L301-L304 PolarHBondContact O-N 2.7Å; L301-L304 VanDerWaalsContact O-N 3.11Å; R302-L304 VanDerWaalsContact C-N 3.28Å; R302-L304 PolarHBondContact O-N 2.98Å; L304-L306 VanDerWaalsContact C-N 3.31Å
305	G	93.9	Very high	97.3	Very high	61 Å²	61	41.7 Å²	41.7	63%	0.629	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-3.1	-175.1	0	0	0	0	0	114.4	L301 R302 H303 R307	L301-G305 PolarHBondContact O-N 2.8Å; R302-G305 PolarHBondContact O-N 3.48Å; H303-G305 PolarHBondContact O-N 3.38Å; G305-R307 PolarHBondContact O-N 3.18Å
306	L	95.1	Very high	97.3	Very high	19 Å²	19	41 Å²	41	10%	0.099	21%	0.213	C	C	.	.			trans	-79.9	63	174.1	-60.9	177.9	0	0	0	110.5	P44 L301 L304 E309 G310	P44-L306 HydrophobicContact CG-CD1 4.02Å; P44-L306 HydrophobicContact CG-CD2 3.83Å; L301-L306 CarbonylContact C-O 3.55Å; L301-L306 HydrophobicContact CB-CB 4.2Å; L301-L306 HydrophobicContact CD2-CB 4.32Å; L301-L306 HydrophobicContact CD2-CD1 3.71Å; L301-L306 CarbonylContact O-C 3.59Å; L301-L306 WeakPolarHBondContact O-CA 3.39Å; L301-L306 WeakPolarHBondContact O-CB 3.46Å; L301-L306 PolarHBondContact O-N 2.78Å; L304-L306 VanDerWaalsContact C-N 3.31Å; L306-E309 VanDerWaalsContact C-OE2 3.25Å; L306-E309 WeakPolarHBondContact CA-OE2 3.34Å; L306-E309 HydrophobicContact CB-CB 4.22Å; L306-E309 HydrophobicContact CB-CG 4.42Å; L306-E309 WeakPolarHBondContact CB-OE2 3.32Å; L306-G310 PolarHBondContact O-N 2.91Å
307	R	95.6	Very high	97.3	Very high	161 Å²	161	41 Å²	41	61%	0.608	21%	0.213	S	C	*	.	H	α-helix	trans	-68.5	-42.5	-169.7	-168.5	174.6	178.8	174.6	1	112.4	G305 G310 D311	G305-R307 PolarHBondContact O-N 3.18Å; R307-G310 PolarHBondContact O-N 3.04Å; R307-D311 IonicContact NE-OD2 2.67Å; R307-D311 WeakPolarHBondContact O-CB 3.41Å; R307-D311 VanDerWaalsContact O-CG 3.28Å; R307-D311 PolarHBondContact O-N 2.96Å
308	S	97.5	Very high	97.3	Very high	77 Å²	77	43.7 Å²	43.7	54%	0.538	23%	0.225	S	C	.	.	H	α-helix	trans	-62.9	-44.2	178.5	-56.6	0	0	0	0	111.3	D311 A312	S308-D311 PolarHBondContact O-N 3.49Å; S308-A312 WeakPolarHBondContact O-CB 3.5Å; S308-A312 PolarHBondContact O-N 3.33Å
309	E	97.8	Very high	97.3	Very high	33 Å²	33	45.4 Å²	45.4	15%	0.154	23%	0.233	C	C	.	.	H	α-helix	trans	-64.9	-43.6	176.8	-62.3	79.5	174.3	0	0	111.9	I43 L301 L306 L313 L350	I43-E309 HydrophobicContact CG1-CB 4.19Å; I43-E309 HydrophobicContact CG1-CG 4.22Å; I43-E309 HydrophobicContact CG2-CB 4.34Å; I43-E309 HydrophobicContact CG2-CG 4.35Å; L301-E309 HydrophobicContact CD1-CB 4.23Å; L306-E309 VanDerWaalsContact C-OE2 3.25Å; L306-E309 WeakPolarHBondContact CA-OE2 3.34Å; L306-E309 HydrophobicContact CB-CB 4.22Å; L306-E309 HydrophobicContact CB-CG 4.42Å; L306-E309 WeakPolarHBondContact CB-OE2 3.32Å; E309-L313 WeakPolarHBondContact O-CB 3.36Å; E309-L313 PolarHBondContact O-N 2.87Å; E309-L350 HydrophobicContact CB-CD2 4.39Å; E309-L350 HydrophobicContact CG-CD2 4Å
310	G	97.9	Very high	97.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-43.7	177.3	0	0	0	0	0	112.7	A298 L306 R307 M314	A298-G310 WeakPolarHBondContact CB-O 3.25Å; L306-G310 PolarHBondContact O-N 2.91Å; R307-G310 PolarHBondContact O-N 3.04Å; G310-M314 WeakPolarHBondContact O-CB 3.37Å; G310-M314 PolarHBondContact O-N 3.34Å
311	D	98.4	Very high	97.3	Very high	62 Å²	62	43.6 Å²	43.6	33%	0.332	22%	0.22	S	C	.	.	H	α-helix	trans	-69.6	-40	178.7	-70.7	-20.8	0	0	0	111.2	R302 R307 S308 M314 F315	R302-D311 WeakPolarHBondContact CD-OD1 3.4Å; R302-D311 IonicContact CZ-OD1 3.79Å; R302-D311 IonicContact NE-OD1 2.84Å; R302-D311 IonicContact NH1-OD1 3.88Å; R302-D311 PolarHBondContact NH1-OD1 3.49Å; R307-D311 IonicContact NE-OD2 2.67Å; R307-D311 WeakPolarHBondContact O-CB 3.41Å; R307-D311 VanDerWaalsContact O-CG 3.28Å; R307-D311 PolarHBondContact O-N 2.96Å; S308-D311 PolarHBondContact O-N 3.49Å; D311-M314 PolarHBondContact O-N 3.07Å; D311-F315 VanDerWaalsContact O-CB 3.31Å; D311-F315 WeakPolarHBondContact O-CB 3.4Å; D311-F315 PolarHBondContact O-N 2.87Å
312	A	98.6	Very high	97.3	Very high	9 Å²	9	49.5 Å²	49.5	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-42.9	174	0	0	0	0	0	112.6	S308 A316 F348 K349 L350	S308-A312 WeakPolarHBondContact O-CB 3.5Å; S308-A312 PolarHBondContact O-N 3.33Å; A312-A316 WeakPolarHBondContact O-CB 3.12Å; A312-A316 PolarHBondContact O-N 3.46Å; A312-F348 HydrophobicContact CB-CD2 4.03Å; A312-F348 HydrophobicContact CB-CE2 3.58Å; A312-F348 HydrophobicContact CB-CZ 3.96Å; A312-K349 VanDerWaalsContact CB-O 3.23Å; A312-K349 WeakPolarHBondContact CB-O 3.29Å; A312-L350 HydrophobicContact CB-CD2 4.11Å
313	L	98.7	Very high	97.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-67.7	-43	176.7	-179.7	57.4	0	0	0	111.8	V37 T297 A298 L301 E309 F315 A316 V317 V344 F348	V37-L313 HydrophobicContact CG1-CD1 3.72Å; T297-L313 HydrophobicContact CG2-CD2 3.82Å; A298-L313 HydrophobicContact CB-CB 4.18Å; A298-L313 HydrophobicContact CB-CD2 4.18Å; A298-L313 HydrophobicContact CB-CG 4.09Å; L301-L313 HydrophobicContact CD1-CD2 4.02Å; E309-L313 WeakPolarHBondContact O-CB 3.36Å; E309-L313 PolarHBondContact O-N 2.87Å; L313-F315 VanDerWaalsContact C-N 3.34Å; L313-F315 PolarHBondContact O-N 3.1Å; L313-A316 PolarHBondContact O-N 2.76Å; L313-V317 HydrophobicContact CD1-CG2 4.32Å; L313-V317 WeakPolarHBondContact O-CG2 3.47Å; L313-V317 PolarHBondContact O-N 3.29Å; L313-V317 VanDerWaalsContact O-N 3.07Å; L313-V344 HydrophobicContact CD1-CG1 3.82Å; L313-F348 HydrophobicContact CB-CD2 4.24Å; L313-F348 HydrophobicContact CB-CE2 4.08Å
314	M	98.4	Very high	97.3	Very high	39 Å²	39	43.3 Å²	43.3	19%	0.192	22%	0.224	C	C	.	.	H	α-helix	trans	-58.2	-48.9	175.6	-173.8	66.3	77.4	0	0	110.7	I295 A298 G310 D311 A316 V317 E318	I295-M314 HydrophobicContact CG1-SD 4.16Å; I295-M314 HydrophobicContact CG2-CE 3.9Å; I295-M314 HydrophobicContact CG2-SD 4.16Å; A298-M314 HydrophobicContact CB-CB 4.05Å; A298-M314 HydrophobicContact CB-CE 3.99Å; G310-M314 WeakPolarHBondContact O-CB 3.37Å; G310-M314 PolarHBondContact O-N 3.34Å; D311-M314 PolarHBondContact O-N 3.07Å; M314-A316 PolarHBondContact O-N 2.99Å; M314-V317 PolarHBondContact O-N 3Å; M314-E318 WeakPolarHBondContact O-CG 3.45Å; M314-E318 PolarHBondContact O-N 3.27Å
315	F	98.5	Very high	97.3	Very high	102 Å²	102	49.3 Å²	49.3	45%	0.447	25%	0.249	S	C	.	.	H	α-helix	trans	-57.2	-48.7	177.5	176.9	-97.5	0	0	0	111.5	D311 L313 V317 E318 E319	D311-F315 VanDerWaalsContact O-CB 3.31Å; D311-F315 WeakPolarHBondContact O-CB 3.4Å; D311-F315 PolarHBondContact O-N 2.87Å; L313-F315 VanDerWaalsContact C-N 3.34Å; L313-F315 PolarHBondContact O-N 3.1Å; F315-V317 VanDerWaalsContact C-N 3.32Å; F315-V317 PolarHBondContact O-N 3.36Å; F315-E318 PolarHBondContact O-N 3.44Å; F315-E319 HydrophobicContact CD1-CG 3.96Å; F315-E319 HydrophobicContact CD2-CG 4.09Å; F315-E319 HydrophobicContact CE1-CG 3.55Å; F315-E319 HydrophobicContact CE2-CG 3.69Å; F315-E319 HydrophobicContact CG-CG 4.22Å; F315-E319 HydrophobicContact CZ-CG 3.4Å; F315-E319 WeakPolarHBondContact O-CB 3.28Å; F315-E319 VanDerWaalsContact O-CG 3.27Å; F315-E319 WeakPolarHBondContact O-CG 3.3Å; F315-E319 PolarHBondContact O-N 2.86Å
316	A	98.7	Very high	97.5	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-59	-41.3	179.8	0	0	0	0	0	112.9	A312 L313 M314 V320 V344 H347 F348	A312-A316 WeakPolarHBondContact O-CB 3.12Å; A312-A316 PolarHBondContact O-N 3.46Å; L313-A316 PolarHBondContact O-N 2.76Å; M314-A316 PolarHBondContact O-N 2.99Å; A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.45Å; A316-V320 VanDerWaalsContact O-N 3.17Å; A316-V344 HydrophobicContact CB-CG1 4.03Å; A316-V344 WeakPolarHBondContact CB-O 3.46Å; A316-H347 HydrophobicContact CB-CB 3.85Å; A316-F348 HydrophobicContact CB-CB 4.31Å
317	V	98.5	Very high	97.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-48.4	176.1	175.1	0	0	0	0	111.3	T291 L294 I295 L313 M314 F315 E319 V320 I321 V344	T291-V317 HydrophobicContact CG2-CG1 3.98Å; L294-V317 HydrophobicContact CB-CG2 3.72Å; L294-V317 HydrophobicContact CD1-CG2 4.21Å; I295-V317 HydrophobicContact CD1-CG1 4.38Å; I295-V317 HydrophobicContact CG1-CG1 4Å; L313-V317 HydrophobicContact CD1-CG2 4.32Å; L313-V317 WeakPolarHBondContact O-CG2 3.47Å; L313-V317 PolarHBondContact O-N 3.29Å; L313-V317 VanDerWaalsContact O-N 3.07Å; M314-V317 PolarHBondContact O-N 3Å; F315-V317 VanDerWaalsContact C-N 3.32Å; F315-V317 PolarHBondContact O-N 3.36Å; V317-E319 VanDerWaalsContact C-N 3.3Å; V317-E319 PolarHBondContact O-N 2.67Å; V317-V320 PolarHBondContact O-N 2.85Å; V317-I321 HydrophobicContact CG1-CD1 3.94Å; V317-I321 VanDerWaalsContact O-CG1 3.32Å; V317-I321 WeakPolarHBondContact O-CG1 3.43Å; V317-I321 PolarHBondContact O-N 3.21Å; V317-V344 HydrophobicContact CG2-CG1 3.9Å; V317-V344 HydrophobicContact CG2-CG2 4.09Å
318	E	98	Very high	97.4	Very high	58 Å²	58	43.3 Å²	43.3	27%	0.271	21%	0.211	S	C	.	.	H	α-helix	trans	-61.7	-38.8	179.3	-71.8	-171.6	151.2	0	0	111.4	K114 L116 M314 F315 I321 R322	K114-E318 IonicContact NZ-OE1 2.65Å; K114-E318 PolarHBondContact NZ-OE1 3.26Å; L116-E318 HydrophobicContact CD2-CG 4.44Å; M314-E318 WeakPolarHBondContact O-CG 3.45Å; M314-E318 PolarHBondContact O-N 3.27Å; F315-E318 PolarHBondContact O-N 3.44Å; E318-I321 PolarHBondContact O-N 3.31Å; E318-R322 WeakPolarHBondContact O-CB 3.21Å; E318-R322 PolarHBondContact O-N 3.05Å
319	E	98.2	Very high	97.2	Very high	36 Å²	36	48.2 Å²	48.2	17%	0.168	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-47.4	178.4	-75.8	-65.4	102	0	0	112.8	F315 V317 I321 R322 E323	F315-E319 HydrophobicContact CD1-CG 3.96Å; F315-E319 HydrophobicContact CD2-CG 4.09Å; F315-E319 HydrophobicContact CE1-CG 3.55Å; F315-E319 HydrophobicContact CE2-CG 3.69Å; F315-E319 HydrophobicContact CG-CG 4.22Å; F315-E319 HydrophobicContact CZ-CG 3.4Å; F315-E319 WeakPolarHBondContact O-CB 3.28Å; F315-E319 VanDerWaalsContact O-CG 3.27Å; F315-E319 WeakPolarHBondContact O-CG 3.3Å; F315-E319 PolarHBondContact O-N 2.86Å; V317-E319 VanDerWaalsContact C-N 3.3Å; V317-E319 PolarHBondContact O-N 2.67Å; E319-I321 PolarHBondContact O-N 3.09Å; E319-R322 PolarHBondContact O-N 2.84Å; E319-R322 VanDerWaalsContact O-N 3.16Å; E319-R322 IonicContact OE1-CZ 3.62Å; E319-R322 IonicContact OE1-NE 2.78Å; E319-R322 PolarHBondContact OE1-NE 3.28Å; E319-R322 IonicContact OE1-NH2 2.73Å; E319-R322 PolarHBondContact OE1-NH2 3.05Å; E319-R322 IonicContact OE2-CZ 2.99Å; E319-R322 IonicContact OE2-NE 3.34Å; E319-R322 IonicContact OE2-NH2 3.61Å; E319-R322 PolarHBondContact OE2-NH2 3.03Å; E319-E323 WeakPolarHBondContact O-CG 3.47Å; E319-E323 PolarHBondContact O-N 3Å
320	V	98.4	Very high	96.8	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-41.8	177.3	170.7	0	0	0	0	111.1	A316 V317 G324 V326 F340 A343 V344 H347	A316-V320 WeakPolarHBondContact O-CG2 3.49Å; A316-V320 PolarHBondContact O-N 3.45Å; A316-V320 VanDerWaalsContact O-N 3.17Å; V317-V320 PolarHBondContact O-N 2.85Å; V320-G324 PolarHBondContact O-N 3.39Å; V320-V326 HydrophobicContact CG1-CB 4.24Å; V320-F340 HydrophobicContact CB-CZ 4.5Å; V320-F340 HydrophobicContact CG1-CD2 4.06Å; V320-F340 HydrophobicContact CG1-CE1 4.46Å; V320-F340 HydrophobicContact CG1-CE2 3.72Å; V320-F340 HydrophobicContact CG1-CZ 3.94Å; V320-A343 HydrophobicContact CG1-CB 3.96Å; V320-A343 HydrophobicContact CG2-CB 3.87Å; V320-A343 WeakPolarHBondContact CG2-O 3.24Å; V320-V344 HydrophobicContact CB-CG2 4.39Å; V320-V344 HydrophobicContact CG2-CG2 4Å; V320-H347 HydrophobicContact CG2-CB 4.45Å
321	I	97.5	Very high	96.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-68.7	-44.1	178.6	-64	170.5	0	0	0	110.9	L116 V119 T291 V317 E318 E319 G324 F340	L116-I321 HydrophobicContact CB-CG2 4.2Å; L116-I321 HydrophobicContact CD1-CD1 3.58Å; V119-I321 HydrophobicContact CG2-CG2 3.49Å; V119-I321 VanDerWaalsContact CG2-CG2 3.49Å; T291-I321 HydrophobicContact CG2-CD1 3.44Å; T291-I321 VanDerWaalsContact CG2-CD1 3.44Å; V317-I321 HydrophobicContact CG1-CD1 3.94Å; V317-I321 VanDerWaalsContact O-CG1 3.32Å; V317-I321 WeakPolarHBondContact O-CG1 3.43Å; V317-I321 PolarHBondContact O-N 3.21Å; E318-I321 PolarHBondContact O-N 3.31Å; E319-I321 PolarHBondContact O-N 3.09Å; I321-G324 PolarHBondContact O-N 2.89Å; I321-F340 HydrophobicContact CD1-CZ 4.21Å; I321-F340 HydrophobicContact CG1-CE2 4.11Å; I321-F340 HydrophobicContact CG1-CZ 3.77Å
322	R	97	Very high	96.2	Very high	124 Å²	124	51.5 Å²	51.5	47%	0.468	25%	0.252	S	S	.	.	H	α-helix	trans	-62	-45.4	179.7	-173.7	-173.7	66.1	71	2.8	112	A117 E318 E319 G324	A117-R322 HydrophobicContact CB-CG 4.23Å; A117-R322 VanDerWaalsContact O-CA 3.24Å; A117-R322 WeakPolarHBondContact O-CA 3.15Å; A117-R322 PolarHBondContact O-N 3.34Å; E318-R322 WeakPolarHBondContact O-CB 3.21Å; E318-R322 PolarHBondContact O-N 3.05Å; E319-R322 PolarHBondContact O-N 2.84Å; E319-R322 VanDerWaalsContact O-N 3.16Å; E319-R322 IonicContact OE1-CZ 3.62Å; E319-R322 IonicContact OE1-NE 2.78Å; E319-R322 PolarHBondContact OE1-NE 3.28Å; E319-R322 IonicContact OE1-NH2 2.73Å; E319-R322 PolarHBondContact OE1-NH2 3.05Å; E319-R322 IonicContact OE2-CZ 2.99Å; E319-R322 IonicContact OE2-NE 3.34Å; E319-R322 IonicContact OE2-NH2 3.61Å; E319-R322 PolarHBondContact OE2-NH2 3.03Å; R322-G324 PolarHBondContact O-N 3.42Å
323	E	96.9	Very high	96	Very high	72 Å²	72	51.7 Å²	51.7	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-35.6	175.9	-70	-155	144.2	0	0	111.9	E319 K325 H347	E319-E323 WeakPolarHBondContact O-CG 3.47Å; E319-E323 PolarHBondContact O-N 3Å; E323-K325 HydrophobicContact CB-CG 4.38Å; E323-K325 VanDerWaalsContact CD-NZ 3.26Å; E323-K325 PolarHBondContact O-N 3.08Å; E323-K325 IonicContact OE1-NZ 3.72Å; E323-K325 PolarHBondContact OE1-NZ 2.97Å; E323-K325 WeakPolarHBondContact OE2-CE 3.22Å; E323-K325 IonicContact OE2-NZ 3.17Å; E323-K325 PolarHBondContact OE2-NZ 2.92Å; E323-H347 IonicContact OE1-NE2 2.75Å; E323-H347 IonicContact OE2-NE2 3.76Å
324	G	94.8	Very high	95.9	Very high	19 Å²	19	62.7 Å²	62.7	20%	0.196	30%	0.298	C	S	.	.			trans	69.3	10.7	175.1	0	0	0	0	0	115.7	V320 I321 R322 R327	V320-G324 PolarHBondContact O-N 3.39Å; I321-G324 PolarHBondContact O-N 2.89Å; R322-G324 PolarHBondContact O-N 3.42Å; G324-R327 WeakPolarHBondContact O-CD 3.17Å; G324-R327 PolarHBondContact O-NE 3.2Å
325	K	95.7	Very high	95.8	Very high	156 Å²	156	61.5 Å²	61.5	68%	0.678	29%	0.294	S	S	*	.	S	Bend	trans	-76.2	-36.2	178.3	-60.4	174.9	-164.8	144	0	112.4	E323	E323-K325 HydrophobicContact CB-CG 4.38Å; E323-K325 VanDerWaalsContact CD-NZ 3.26Å; E323-K325 PolarHBondContact O-N 3.08Å; E323-K325 IonicContact OE1-NZ 3.72Å; E323-K325 PolarHBondContact OE1-NZ 2.97Å; E323-K325 WeakPolarHBondContact OE2-CE 3.22Å; E323-K325 IonicContact OE2-NZ 3.17Å; E323-K325 PolarHBondContact OE2-NZ 2.92Å
326	V	97	Very high	95.7	Very high	39 Å²	39	58.2 Å²	58.2	24%	0.236	28%	0.284	C	S	.	.	S	Bend	trans	-114.2	96.8	-179.2	-174.3	0	0	0	0	108.6	V320 A335 D339 F340 A343	V320-V326 HydrophobicContact CG1-CB 4.24Å; V326-A335 HydrophobicContact CG1-CB 3.6Å; V326-D339 HydrophobicContact CG1-CB 4.14Å; V326-F340 HydrophobicContact CG1-CB 4.35Å; V326-F340 HydrophobicContact CG1-CD2 4.5Å; V326-A343 HydrophobicContact CB-CB 4.08Å; V326-A343 HydrophobicContact CG1-CB 4.09Å; V326-A343 HydrophobicContact CG2-CB 3.93Å
327	R	95.2	Very high	95.5	Very high	77 Å²	77	58.4 Å²	58.4	29%	0.291	29%	0.285	S	S	.	.			trans	-125.2	130.3	-176.3	-71.6	-179.7	176.8	-178.4	4.4	111	G118 G324 L331 G333 Y334 A335	G118-R327 PolarHBondContact O-NH2 2.72Å; G324-R327 WeakPolarHBondContact O-CD 3.17Å; G324-R327 PolarHBondContact O-NE 3.2Å; R327-L331 HydrophobicContact CB-CB 4.18Å; R327-L331 HydrophobicContact CG-CB 4.4Å; R327-G333 CarbonylContact O-C 3.57Å; R327-G333 WeakPolarHBondContact O-CA 3.19Å; R327-Y334 PolarHBondContact O-N 3.46Å; R327-A335 WeakPolarHBondContact O-CB 3.48Å; R327-A335 PolarHBondContact O-N 2.86Å
328	T	94.4	Very high	95.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.			trans	-70	169.4	169.3	52	0	0	0	0	111.1	N289 D330 L331 G332 G333 F340	N289-T328 HydrophobicContact CB-CG2 4.28Å; N289-T328 WeakPolarHBondContact CB-OG1 3.47Å; N289-T328 VanDerWaalsContact CG-OG1 3.31Å; N289-T328 PolarHBondContact ND2-OG1 2.97Å; T328-D330 VanDerWaalsContact CB-OD1 3.27Å; T328-D330 WeakPolarHBondContact CB-OD1 3.23Å; T328-D330 PolarHBondContact O-N 2.75Å; T328-D330 PolarHBondContact OG1-OD1 3.31Å; T328-L331 CarbonylContact O-C 3.55Å; T328-L331 PolarHBondContact O-N 3.24Å; T328-G332 PolarHBondContact O-N 3.34Å; T328-G333 PolarHBondContact O-N 2.97Å; T328-F340 HydrophobicContact CG2-CB 4.38Å; T328-F340 HydrophobicContact CG2-CD2 4.46Å
329	R	91.8	Very high	95.5	Very high	180 Å²	180	64.1 Å²	64.1	68%	0.679	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-60.7	-39.5	-172.6	-173.7	177.6	176.3	-173.3	-1.7	114	L331 G332 G333	R329-L331 PolarHBondContact O-N 3.21Å; R329-G332 PolarHBondContact O-N 3.29Å; R329-G333 WeakPolarHBondContact CA-O 3.31Å
330	D	89.7	Confident	95.5	Very high	72 Å²	72	62.4 Å²	62.4	39%	0.385	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.3	-27.8	176	61.3	-46	0	0	0	112.7	N289 T328 G332	N289-D330 WeakPolarHBondContact CB-OD1 3.49Å; N289-D330 WeakPolarHBondContact CB-OD2 3.42Å; N289-D330 PolarHBondContact ND2-OD2 3.02Å; T328-D330 VanDerWaalsContact CB-OD1 3.27Å; T328-D330 WeakPolarHBondContact CB-OD1 3.23Å; T328-D330 PolarHBondContact O-N 2.75Å; T328-D330 PolarHBondContact OG1-OD1 3.31Å; D330-G332 VanDerWaalsContact C-N 3.32Å
331	L	93	Very high	95.5	Very high	23 Å²	23	62.2 Å²	62.2	12%	0.12	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-90.8	9	173.2	-60.2	-177.8	0	0	0	113.3	V119 V258 N289 R327 T328 R329	V119-L331 HydrophobicContact CG1-CD2 4.2Å; V119-L331 HydrophobicContact CG2-CD2 4.2Å; V258-L331 HydrophobicContact CG1-CD1 4.43Å; V258-L331 HydrophobicContact CG1-CD2 3.89Å; N289-L331 WeakPolarHBondContact ND2-CD1 3.37Å; R327-L331 HydrophobicContact CB-CB 4.18Å; R327-L331 HydrophobicContact CG-CB 4.4Å; T328-L331 CarbonylContact O-C 3.55Å; T328-L331 PolarHBondContact O-N 3.24Å; R329-L331 PolarHBondContact O-N 3.21Å
332	G	92	Very high	95.5	Very high	68 Å²	68	65.7 Å²	65.7	70%	0.701	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	17.7	176.3	0	0	0	0	0	115.5	T328 R329 D330	T328-G332 PolarHBondContact O-N 3.34Å; R329-G332 PolarHBondContact O-N 3.29Å; D330-G332 VanDerWaalsContact C-N 3.32Å
333	G	94.3	Very high	95.6	Very high	14 Å²	14	60.2 Å²	60.2	14%	0.144	31%	0.309	C	S	.	.	S	Bend	trans	-113.5	-161.9	173.5	0	0	0	0	0	114	R327 T328 R329	R327-G333 CarbonylContact O-C 3.57Å; R327-G333 WeakPolarHBondContact O-CA 3.19Å; T328-G333 PolarHBondContact O-N 2.97Å; R329-G333 WeakPolarHBondContact CA-O 3.31Å
334	Y	95	Very high	95.7	Very high	231 Å²	231	56.8 Å²	56.8	91%	0.906	29%	0.293	S	S	*	.			trans	-128.7	5.8	-177.8	-58.1	-81.9	0	0	0	113.4	R327	R327-Y334 PolarHBondContact O-N 3.46Å
335	A	96.6	Very high	95.9	Very high	14 Å²	14	57.5 Å²	57.5	12%	0.116	29%	0.291	C	S	.	.			trans	-65.2	140.6	-180	0	0	0	0	0	110.7	V326 R327 D339	V326-A335 HydrophobicContact CG1-CB 3.6Å; R327-A335 WeakPolarHBondContact O-CB 3.48Å; R327-A335 PolarHBondContact O-N 2.86Å; A335-D339 HydrophobicContact CB-CB 3.98Å
336	S	96.5	Very high	96	Very high	33 Å²	33	56 Å²	56	23%	0.231	29%	0.291	C	S	.	.			trans	-74.7	167.9	169.4	69	0	0	0	0	111.4	G286 N338 D339 F340	G286-S336 CarbonylContact O-C 3.19Å; G286-S336 VanDerWaalsContact O-CA 3.23Å; G286-S336 WeakPolarHBondContact O-CA 3.41Å; G286-S336 WeakPolarHBondContact O-CB 3.48Å; S336-N338 PolarHBondContact O-N 3.02Å; S336-N338 PolarHBondContact OG-N 3.33Å; S336-D339 WeakPolarHBondContact CB-OD2 3.27Å; S336-D339 PolarHBondContact N-OD2 3.24Å; S336-D339 PolarHBondContact O-N 3.17Å; S336-D339 PolarHBondContact OG-N 3.45Å; S336-D339 PolarHBondContact OG-OD2 3.43Å; S336-F340 PolarHBondContact O-N 3.42Å; S336-F340 VanDerWaalsContact O-N 3.09Å
337	T	95.8	Very high	96.1	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.025	29%	0.289	C	S	.	.	H	α-helix	trans	-53.8	-40.3	169.4	-51.9	0	0	0	0	110.8	L30 G286 A288 P290 T341	L30-T337 HydrophobicContact CD2-CG2 4.5Å; G286-T337 PolarHBondContact O-N 2.92Å; G286-T337 PolarHBondContact O-OG1 3.1Å; A288-T337 PolarHBondContact N-OG1 3.39Å; A288-T337 WeakPolarHBondContact O-CB 3.37Å; A288-T337 PolarHBondContact O-OG1 3.04Å; P290-T337 HydrophobicContact CB-CG2 4.23Å; P290-T337 HydrophobicContact CG-CG2 4.16Å; T337-T341 WeakPolarHBondContact O-CB 3.48Å; T337-T341 PolarHBondContact O-N 3.43Å; T337-T341 PolarHBondContact O-OG1 3.33Å
338	N	97.1	Very high	96.2	Very high	99 Å²	99	53.8 Å²	53.8	53%	0.529	28%	0.281	S	S	.	.	H	α-helix	trans	-71.2	-40.9	180	-72.2	-21.9	0	0	0	112.2	S336 F340 T341 N342	S336-N338 PolarHBondContact O-N 3.02Å; S336-N338 PolarHBondContact OG-N 3.33Å; N338-F340 VanDerWaalsContact C-N 3.32Å; N338-F340 PolarHBondContact O-N 3.29Å; N338-T341 WeakPolarHBondContact O-CB 3.32Å; N338-T341 PolarHBondContact O-N 2.79Å; N338-N342 WeakPolarHBondContact O-CB 3.32Å; N338-N342 VanDerWaalsContact O-CG 3.25Å; N338-N342 PolarHBondContact O-N 3.06Å; N338-N342 PolarHBondContact O-ND2 3.19Å
339	D	98.2	Very high	96.3	Very high	79 Å²	79	61.3 Å²	61.3	42%	0.422	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-45.8	176.4	-60.7	-40.6	0	0	0	110.7	V326 A335 S336 N342 A343	V326-D339 HydrophobicContact CG1-CB 4.14Å; A335-D339 HydrophobicContact CB-CB 3.98Å; S336-D339 WeakPolarHBondContact CB-OD2 3.27Å; S336-D339 PolarHBondContact N-OD2 3.24Å; S336-D339 PolarHBondContact O-N 3.17Å; S336-D339 PolarHBondContact OG-N 3.45Å; S336-D339 PolarHBondContact OG-OD2 3.43Å; D339-N342 PolarHBondContact O-N 3.32Å; D339-A343 WeakPolarHBondContact O-CB 3.45Å; D339-A343 PolarHBondContact O-N 3.41Å
340	F	98.3	Very high	96.2	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-43.3	176	-165.6	-78.9	0	0	0	111.6	P290 T291 L294 V320 I321 V326 T328 S336 N338 N342 A343 V344	P290-F340 HydrophobicContact CG-CB 4.14Å; P290-F340 HydrophobicContact CG-CD1 3.57Å; P290-F340 HydrophobicContact CG-CE1 4.31Å; P290-F340 HydrophobicContact CG-CG 4.1Å; T291-F340 WeakPolarHBondContact OG1-CZ 3.42Å; L294-F340 HydrophobicContact CD1-CD1 4.35Å; L294-F340 HydrophobicContact CD1-CE1 4.23Å; V320-F340 HydrophobicContact CB-CZ 4.5Å; V320-F340 HydrophobicContact CG1-CD2 4.06Å; V320-F340 HydrophobicContact CG1-CE1 4.46Å; V320-F340 HydrophobicContact CG1-CE2 3.72Å; V320-F340 HydrophobicContact CG1-CZ 3.94Å; I321-F340 HydrophobicContact CD1-CZ 4.21Å; I321-F340 HydrophobicContact CG1-CE2 4.11Å; I321-F340 HydrophobicContact CG1-CZ 3.77Å; V326-F340 HydrophobicContact CG1-CB 4.35Å; V326-F340 HydrophobicContact CG1-CD2 4.5Å; T328-F340 HydrophobicContact CG2-CB 4.38Å; T328-F340 HydrophobicContact CG2-CD2 4.46Å; S336-F340 PolarHBondContact O-N 3.42Å; S336-F340 VanDerWaalsContact O-N 3.09Å; N338-F340 VanDerWaalsContact C-N 3.32Å; N338-F340 PolarHBondContact O-N 3.29Å; F340-N342 PolarHBondContact O-N 3.23Å; F340-A343 PolarHBondContact O-N 2.87Å; F340-V344 HydrophobicContact CD1-CG2 3.88Å; F340-V344 HydrophobicContact CE1-CG2 3.63Å; F340-V344 WeakPolarHBondContact O-CG2 3.47Å; F340-V344 PolarHBondContact O-N 3.35Å
341	T	98.5	Very high	96.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.5	-46.2	178	-57.3	0	0	0	0	111.6	S33 N36 V37 T337 N338 V344 I345	S33-T341 WeakPolarHBondContact CB-OG1 3.22Å; S33-T341 PolarHBondContact OG-OG1 3.26Å; N36-T341 HydrophobicContact CB-CG2 4.22Å; V37-T341 HydrophobicContact CG2-CG2 3.71Å; T337-T341 WeakPolarHBondContact O-CB 3.48Å; T337-T341 PolarHBondContact O-N 3.43Å; T337-T341 PolarHBondContact O-OG1 3.33Å; N338-T341 WeakPolarHBondContact O-CB 3.32Å; N338-T341 PolarHBondContact O-N 2.79Å; T341-V344 PolarHBondContact O-N 3.11Å; T341-I345 HydrophobicContact CG2-CD1 4.15Å; T341-I345 WeakPolarHBondContact O-CG1 3.38Å; T341-I345 PolarHBondContact O-N 3.36Å
342	N	98.5	Very high	96.7	Very high	75 Å²	75	61.1 Å²	61.1	40%	0.401	33%	0.325	S	S	.	.	H	α-helix	trans	-65.4	-41.7	178.6	-68.3	-21.4	0	0	0	111.3	N338 D339 F340 V344 I345 D346	N338-N342 WeakPolarHBondContact O-CB 3.32Å; N338-N342 VanDerWaalsContact O-CG 3.25Å; N338-N342 PolarHBondContact O-N 3.06Å; N338-N342 PolarHBondContact O-ND2 3.19Å; D339-N342 PolarHBondContact O-N 3.32Å; F340-N342 PolarHBondContact O-N 3.23Å; N342-V344 VanDerWaalsContact C-N 3.27Å; N342-V344 PolarHBondContact O-N 3.27Å; N342-I345 WeakPolarHBondContact O-CB 3.42Å; N342-I345 PolarHBondContact O-N 2.65Å; N342-I345 VanDerWaalsContact O-N 3.1Å; N342-D346 PolarHBondContact O-N 3.34Å
343	A	98.5	Very high	96.9	Very high	10 Å²	10	60.7 Å²	60.7	8%	0.083	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-38.4	175.5	0	0	0	0	0	112.3	V320 V326 D339 F340 D346 H347	V320-A343 HydrophobicContact CG1-CB 3.96Å; V320-A343 HydrophobicContact CG2-CB 3.87Å; V320-A343 WeakPolarHBondContact CG2-O 3.24Å; V326-A343 HydrophobicContact CB-CB 4.08Å; V326-A343 HydrophobicContact CG1-CB 4.09Å; V326-A343 HydrophobicContact CG2-CB 3.93Å; D339-A343 WeakPolarHBondContact O-CB 3.45Å; D339-A343 PolarHBondContact O-N 3.41Å; F340-A343 PolarHBondContact O-N 2.87Å; A343-D346 PolarHBondContact O-N 2.73Å; A343-H347 PolarHBondContact O-N 3.29Å; A343-H347 PolarHBondContact O-ND1 2.84Å
344	V	98.7	Very high	97.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-66.4	-42	174.5	171.9	0	0	0	0	111.1	L294 L313 A316 V317 V320 F340 T341 N342 D346 H347 F348	L294-V344 HydrophobicContact CD1-CG2 4.16Å; L313-V344 HydrophobicContact CD1-CG1 3.82Å; A316-V344 HydrophobicContact CB-CG1 4.03Å; A316-V344 WeakPolarHBondContact CB-O 3.46Å; V317-V344 HydrophobicContact CG2-CG1 3.9Å; V317-V344 HydrophobicContact CG2-CG2 4.09Å; V320-V344 HydrophobicContact CB-CG2 4.39Å; V320-V344 HydrophobicContact CG2-CG2 4Å; F340-V344 HydrophobicContact CD1-CG2 3.88Å; F340-V344 HydrophobicContact CE1-CG2 3.63Å; F340-V344 WeakPolarHBondContact O-CG2 3.47Å; F340-V344 PolarHBondContact O-N 3.35Å; T341-V344 PolarHBondContact O-N 3.11Å; N342-V344 VanDerWaalsContact C-N 3.27Å; N342-V344 PolarHBondContact O-N 3.27Å; V344-D346 VanDerWaalsContact C-N 3.31Å; V344-D346 PolarHBondContact O-N 2.86Å; V344-H347 PolarHBondContact O-N 3.16Å; V344-F348 PolarHBondContact O-N 3.42Å; V344-F348 VanDerWaalsContact O-N 3.08Å
345	I	98.6	Very high	97.2	Very high	33 Å²	33	52.9 Å²	52.9	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-43.5	175.6	-68	162.4	0	0	0	110.7	V37 T341 N342 H347 F348	V37-I345 HydrophobicContact CB-CG1 4.44Å; V37-I345 HydrophobicContact CG2-CD1 4.44Å; V37-I345 HydrophobicContact CG2-CG1 4.1Å; T341-I345 HydrophobicContact CG2-CD1 4.15Å; T341-I345 WeakPolarHBondContact O-CG1 3.38Å; T341-I345 PolarHBondContact O-N 3.36Å; N342-I345 WeakPolarHBondContact O-CB 3.42Å; N342-I345 PolarHBondContact O-N 2.65Å; N342-I345 VanDerWaalsContact O-N 3.1Å; I345-H347 VanDerWaalsContact C-N 3.25Å; I345-H347 PolarHBondContact O-N 2.78Å; I345-F348 WeakPolarHBondContact O-CB 3.46Å; I345-F348 PolarHBondContact O-N 3.18Å
346	D	98.3	Very high	97.3	Very high	124 Å²	124	55.5 Å²	55.5	66%	0.663	29%	0.287	S	S	*	.	H	α-helix	trans	-65.4	-26.9	179.8	-67.2	-21.7	0	0	0	113.3	N342 A343 V344	N342-D346 PolarHBondContact O-N 3.34Å; A343-D346 PolarHBondContact O-N 2.73Å; V344-D346 VanDerWaalsContact C-N 3.31Å; V344-D346 PolarHBondContact O-N 2.86Å
347	H	98.3	Very high	97.3	Very high	45 Å²	45	57.1 Å²	57.1	21%	0.208	29%	0.291	C	S	.	.	H	α-helix	trans	-91.6	-10.7	177.5	-72.9	78.3	0	0	0	113.7	A316 V320 E323 A343 V344 I345 K349	A316-H347 HydrophobicContact CB-CB 3.85Å; V320-H347 HydrophobicContact CG2-CB 4.45Å; E323-H347 IonicContact OE1-NE2 2.75Å; E323-H347 IonicContact OE2-NE2 3.76Å; A343-H347 PolarHBondContact O-N 3.29Å; A343-H347 PolarHBondContact O-ND1 2.84Å; V344-H347 PolarHBondContact O-N 3.16Å; I345-H347 VanDerWaalsContact C-N 3.25Å; I345-H347 PolarHBondContact O-N 2.78Å; H347-K349 PolarHBondContact O-N 3.17Å
348	F	98.3	Very high	97.4	Very high	25 Å²	25	61.2 Å²	61.2	11%	0.11	31%	0.311	C	S	.	.			trans	-71.2	121.4	-179.9	-177.1	-88.4	0	0	0	111.1	T41 I43 A312 L313 A316 V344 I345 L350	T41-F348 VanDerWaalsContact CB-CD1 3.49Å; T41-F348 HydrophobicContact CG2-CB 3.71Å; T41-F348 HydrophobicContact CG2-CD1 3.45Å; T41-F348 VanDerWaalsContact CG2-CD1 3.45Å; T41-F348 HydrophobicContact CG2-CD2 4.02Å; T41-F348 HydrophobicContact CG2-CE1 4.02Å; T41-F348 HydrophobicContact CG2-CG 3.44Å; T41-F348 VanDerWaalsContact CG2-CG 3.44Å; I43-F348 HydrophobicContact CD1-CE2 3.89Å; I43-F348 HydrophobicContact CD1-CZ 3.99Å; I43-F348 HydrophobicContact CG1-CE2 4.3Å; I43-F348 HydrophobicContact CG1-CZ 3.88Å; A312-F348 HydrophobicContact CB-CD2 4.03Å; A312-F348 HydrophobicContact CB-CE2 3.58Å; A312-F348 HydrophobicContact CB-CZ 3.96Å; L313-F348 HydrophobicContact CB-CD2 4.24Å; L313-F348 HydrophobicContact CB-CE2 4.08Å; A316-F348 HydrophobicContact CB-CB 4.31Å; V344-F348 PolarHBondContact O-N 3.42Å; V344-F348 VanDerWaalsContact O-N 3.08Å; I345-F348 WeakPolarHBondContact O-CB 3.46Å; I345-F348 PolarHBondContact O-N 3.18Å; F348-L350 HydrophobicContact CE1-CD1 3.9Å; F348-L350 HydrophobicContact CE1-CD2 4.36Å; F348-L350 HydrophobicContact CE1-CG 3.6Å; F348-L350 HydrophobicContact CZ-CD1 4.1Å; F348-L350 HydrophobicContact CZ-CD2 3.94Å; F348-L350 HydrophobicContact CZ-CG 3.69Å
349	K	95.5	Very high	97.5	Very high	159 Å²	159	58.1 Å²	58.1	69%	0.691	29%	0.293	S	S	*	.			trans	-140.6	121	178.8	-61.5	-179.6	-175.2	175.1	0	109.5	A312 H347	A312-K349 VanDerWaalsContact CB-O 3.23Å; A312-K349 WeakPolarHBondContact CB-O 3.29Å; H347-K349 PolarHBondContact O-N 3.17Å
350	L	89.9	Confident	97.4	Very high	147 Å²	147	56.2 Å²	56.2	77%	0.77	28%	0.281	S	S	*	.			trans	-83.7	0	174.2	-79.4	169.6	0	0	0	112.5	E309 A312 F348	E309-L350 HydrophobicContact CB-CD2 4.39Å; E309-L350 HydrophobicContact CG-CD2 4Å; A312-L350 HydrophobicContact CB-CD2 4.11Å; F348-L350 HydrophobicContact CE1-CD1 3.9Å; F348-L350 HydrophobicContact CE1-CD2 4.36Å; F348-L350 HydrophobicContact CE1-CG 3.6Å; F348-L350 HydrophobicContact CZ-CD1 4.1Å; F348-L350 HydrophobicContact CZ-CD2 3.94Å; F348-L350 HydrophobicContact CZ-CG 3.69Å

Retrieved 350 of 350 residues in 462.6 ms (Link to these results)

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