A0A3Q0KKX7_SCHMA Loading...

long-chain-fatty-acid--CoA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KKX7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 613 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.3	Very low	39.4	Very low	247 Å²	247	138.3 Å²	138.3	100%	1.217	74%	0.736	S	S	*	*				0	176.6	0	-72.6	177.3	174.8	0	0	109.6
2	S	35.5	Very low	39.6	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	71%	0.713	S	S	*	*			trans	-35.7	132.3	-167.6	52.5	0	0	0	0	117.5
3	R	38.5	Very low	39.7	Very low	238 Å²	238	129.8 Å²	129.8	90%	0.898	68%	0.684	S	S	*	*			trans	-52	139.1	157.2	-68.1	179.8	177.4	174.5	-1.4	109.2	K5	R3-K5 PolarHBondContact O-N 3.29Å
4	N	40.9	Very low	40	Very low	168 Å²	168	133.4 Å²	133.4	90%	0.898	69%	0.691	S	S	*	*			trans	-61.2	95.6	-178.8	-85.5	-31.1	0	0	0	112	S6	N4-S6 PolarHBondContact O-N 2.92Å
5	K	35.3	Very low	40.5	Very low	205 Å²	205	131.1 Å²	131.1	89%	0.891	68%	0.679	S	S	*	*			trans	-70	107.2	166.6	-74	-172.6	175.9	-177.3	0	108.6	R3 S7	R3-K5 PolarHBondContact O-N 3.29Å; K5-S7 PolarHBondContact O-N 3.01Å; K5-S7 VanDerWaalsContact O-N 3.15Å
6	S	38.9	Very low	40.6	Very low	94 Å²	94	128.1 Å²	128.1	66%	0.657	66%	0.659	S	S	*	*			trans	-57.9	116.5	174.3	-174.6	0	0	0	0	110.4	N4 F8	N4-S6 PolarHBondContact O-N 2.92Å; S6-F8 VanDerWaalsContact C-N 3.25Å; S6-F8 PolarHBondContact O-N 3.44Å; S6-F8 WeakPolarHBondContact OG-CD2 3.38Å
7	S	39.9	Very low	40.3	Very low	99 Å²	99	132.1 Å²	132.1	69%	0.692	67%	0.671	S	S	*	*			trans	-84	62.6	-171.4	52	0	0	0	0	112.7	K5 P9 R365	K5-S7 PolarHBondContact O-N 3.01Å; K5-S7 VanDerWaalsContact O-N 3.15Å; S7-P9 WeakPolarHBondContact O-CD 2.77Å; S7-R365 PolarHBondContact O-NH1 3.18Å
8	F	34.5	Very low	40	Very low	116 Å²	116	129.6 Å²	129.6	51%	0.509	67%	0.667	S	S	.	*			trans	-66.1	121.5	163.6	-83.2	-85.2	0	0	0	110	S6	S6-F8 VanDerWaalsContact C-N 3.25Å; S6-F8 PolarHBondContact O-N 3.44Å; S6-F8 WeakPolarHBondContact OG-CD2 3.38Å
9	P	46.9	Very low	40.1	Very low	51 Å²	51	131.3 Å²	131.3	33%	0.331	68%	0.678	S	S	.	*			trans	-69.6	147.9	176.9	-17.7	31.5	0	0	0	111.5	S7 A11 Y12 S13	S7-P9 WeakPolarHBondContact O-CD 2.77Å; P9-A11 PolarHBondContact O-N 3.07Å; P9-Y12 HydrophobicContact CB-CD2 4.26Å; P9-Y12 HydrophobicContact CG-CD2 4.15Å; P9-Y12 PolarHBondContact O-N 3.38Å; P9-S13 PolarHBondContact O-N 3.41Å
10	N	43.5	Very low	39.8	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	68%	0.684	S	S	*	*	H	α-helix	trans	-58.1	-17.3	-177.4	-72.7	-19.4	0	0	0	115.5	S13 K14	N10-S13 WeakPolarHBondContact CA-OG 3.43Å; N10-K14 WeakPolarHBondContact O-CB 3.24Å; N10-K14 VanDerWaalsContact O-CG 3.28Å; N10-K14 WeakPolarHBondContact O-CG 3.34Å
11	A	46.3	Very low	39.9	Very low	68 Å²	68	131.9 Å²	131.9	56%	0.562	68%	0.683	S	S	*	*	H	α-helix	trans	-73.3	-30.2	171.7	0	0	0	0	0	112.9	P9 L15	P9-A11 PolarHBondContact O-N 3.07Å; A11-L15 WeakPolarHBondContact O-CD1 3.48Å
12	Y	41.3	Very low	40.8	Very low	119 Å²	119	125.8 Å²	125.8	47%	0.467	65%	0.652	S	S	.	*	H	α-helix	trans	-90.3	-41.4	179.7	-70.2	-86	0	0	0	111.9	P9 K14 L15 F16	P9-Y12 HydrophobicContact CB-CD2 4.26Å; P9-Y12 HydrophobicContact CG-CD2 4.15Å; P9-Y12 PolarHBondContact O-N 3.38Å; Y12-K14 PolarHBondContact O-N 3.31Å; Y12-L15 PolarHBondContact O-N 3.09Å; Y12-F16 HydrophobicContact CD1-CE2 4.38Å; Y12-F16 PolarHBondContact O-N 3.35Å
13	S	40.5	Very low	42.4	Very low	47 Å²	47	124.8 Å²	124.8	33%	0.329	64%	0.641	S	S	.	*	H	α-helix	trans	-64.9	-23.1	177.1	57.6	0	0	0	0	113.7	P9 N10	P9-S13 PolarHBondContact O-N 3.41Å; N10-S13 WeakPolarHBondContact CA-OG 3.43Å
14	K	45.2	Very low	44.4	Very low	180 Å²	180	117 Å²	117	78%	0.783	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	-21.4	169.8	-77.1	-175.9	176.8	-169.4	0	114.3	N10 Y12	N10-K14 WeakPolarHBondContact O-CB 3.24Å; N10-K14 VanDerWaalsContact O-CG 3.28Å; N10-K14 WeakPolarHBondContact O-CG 3.34Å; Y12-K14 PolarHBondContact O-N 3.31Å
15	L	46.9	Very low	46.7	Very low	100 Å²	100	110.8 Å²	110.8	52%	0.524	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.6	-31.1	178.5	-67.2	172.2	0	0	0	112.2	A11 Y12	A11-L15 WeakPolarHBondContact O-CD1 3.48Å; Y12-L15 PolarHBondContact O-N 3.09Å
16	F	41.8	Very low	49.3	Very low	82 Å²	82	101.2 Å²	101.2	36%	0.36	54%	0.544	S	S	.	.	S	Bend	trans	-125.1	90.3	-178.9	-57.6	-86.7	0	0	0	108.5	Y12 S18 K266	Y12-F16 HydrophobicContact CD1-CE2 4.38Å; Y12-F16 PolarHBondContact O-N 3.35Å; F16-S18 PolarHBondContact O-N 3.08Å; F16-K266 HydrophobicContact CE1-CG 4.22Å
17	K	35.2	Very low	51.7	Low	196 Å²	196	102.2 Å²	102.2	85%	0.852	55%	0.546	S	S	*	.			trans	-66.1	111.8	168.2	-75	-174.9	176.8	-178.6	0	108.1	N19	K17-N19 PolarHBondContact O-N 2.91Å
18	S	35.9	Very low	54.2	Low	87 Å²	87	99.8 Å²	99.8	61%	0.608	52%	0.524	S	S	*	.			trans	-81.7	97.1	-177.2	56.4	0	0	0	0	111.7	F16 E20	F16-S18 PolarHBondContact O-N 3.08Å; S18-E20 PolarHBondContact O-N 3.26Å
19	N	40.6	Very low	56.9	Low	163 Å²	163	95 Å²	95	87%	0.872	50%	0.503	S	S	*	.	S	Bend	trans	-75.5	73.8	154.9	-75.6	8.3	0	0	0	107.9	K17	K17-N19 PolarHBondContact O-N 2.91Å
20	E	35.8	Very low	59.1	Low	171 Å²	171	98.4 Å²	98.4	80%	0.799	52%	0.519	S	S	*	.	S	Bend	trans	60.6	157.1	-170.8	-55.9	-156.4	138.9	0	0	115.1	S18 E22	S18-E20 PolarHBondContact O-N 3.26Å; E20-E22 PolarHBondContact O-N 3.21Å
21	P	41	Very low	61.5	Low	103 Å²	103	97.9 Å²	97.9	67%	0.669	51%	0.512	S	S	*	.			trans	-89	89.6	-178.7	33.9	-32.3	0	0	0	111.5	T23	P21-T23 PolarHBondContact O-N 3.46Å
22	E	53.2	Low	63.8	Low	120 Å²	120	94.7 Å²	94.7	56%	0.561	49%	0.486	S	S	*	.			trans	-49.6	132.8	152	-85.4	-165.6	166	0	0	107.9	E20 L24 K50 K263	E20-E22 PolarHBondContact O-N 3.21Å; E22-L24 PolarHBondContact O-N 2.91Å; E22-K50 IonicContact OE1-NZ 2.61Å; E22-K50 PolarHBondContact OE1-NZ 3.42Å; E22-K50 IonicContact OE2-NZ 3.87Å; E22-K263 WeakPolarHBondContact OE2-CE 3.43Å
23	T	69	Low	66.5	Low	86 Å²	86	89.3 Å²	89.3	53%	0.528	47%	0.465	S	S	.	.			trans	-65.2	133	179	48.6	0	0	0	0	109.9	P21 V25 K263	P21-T23 PolarHBondContact O-N 3.46Å; T23-V25 CarbonylContact C-O 3.57Å; T23-V25 WeakPolarHBondContact CB-O 3.22Å; T23-V25 PolarHBondContact O-N 3.25Å; T23-V25 VanDerWaalsContact O-O 3.06Å; T23-V25 PolarHBondContact OG1-O 2.88Å; T23-K263 WeakPolarHBondContact O-CE 3.5Å; T23-K263 PolarHBondContact O-NZ 3.49Å
24	L	79.4	Confident	69.1	Low	74 Å²	74	89 Å²	89	39%	0.387	46%	0.461	S	S	.	.	S	Bend	trans	-56.1	-35.6	171.6	-178.6	65.5	0	0	0	110.9	E22 L264 F362 L408 V427	E22-L24 PolarHBondContact O-N 2.91Å; L24-L264 HydrophobicContact CD1-CD2 4.24Å; L24-F362 HydrophobicContact CD2-CB 4.4Å; L24-L408 HydrophobicContact CD1-CD1 4.39Å; L24-L408 HydrophobicContact CD2-CD1 4.35Å; L24-V427 HydrophobicContact CD1-CG1 3.76Å; L24-V427 HydrophobicContact CG-CG1 4.07Å; L24-V427 WeakPolarHBondContact O-CB 3.47Å; L24-V427 WeakPolarHBondContact O-CG1 3.41Å
25	V	88.7	Confident	71.5	Confident	39 Å²	39	85.2 Å²	85.2	24%	0.236	45%	0.449	C	S	.	.	S	Bend	trans	-68.6	129.3	170.8	177	0	0	0	0	110.2	T23 L29 F362 V427	T23-V25 CarbonylContact C-O 3.57Å; T23-V25 WeakPolarHBondContact CB-O 3.22Å; T23-V25 PolarHBondContact O-N 3.25Å; T23-V25 VanDerWaalsContact O-O 3.06Å; T23-V25 PolarHBondContact OG1-O 2.88Å; V25-L29 HydrophobicContact CG1-CD1 3.52Å; V25-L29 HydrophobicContact CG1-CG 4.39Å; V25-F362 HydrophobicContact CG2-CE2 4.13Å; V25-V427 CarbonylContact C-O 3.51Å; V25-V427 WeakPolarHBondContact CA-O 3.45Å
26	S	91.1	Very high	73.7	Confident	4 Å²	4	82.6 Å²	82.6	3%	0.028	44%	0.438	C	S	.	.			trans	-70.1	141.7	175.2	-161.4	0	0	0	0	112.5	H28 E261 V427	S26-H28 PolarHBondContact O-N 2.6Å; S26-E261 VanDerWaalsContact CA-OE1 3.24Å; S26-E261 WeakPolarHBondContact CA-OE1 3.33Å; S26-E261 WeakPolarHBondContact CB-OE1 3.35Å; S26-E261 PolarHBondContact OG-OE1 2.93Å; S26-V427 PolarHBondContact N-O 2.83Å
27	V	90	Very high	76.2	Confident	114 Å²	114	81.7 Å²	81.7	69%	0.691	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.7	176.6	-61.5	0	0	0	0	112.6	L29	V27-L29 PolarHBondContact O-N 3.13Å
28	H	92	Very high	78.9	Confident	48 Å²	48	76.7 Å²	76.7	22%	0.222	43%	0.432	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	6.2	-176.6	-60	-77.5	0	0	0	114.4	S26 N30 Q31 Q32 P46 F47 L426	S26-H28 PolarHBondContact O-N 2.6Å; H28-N30 PolarHBondContact O-N 3.33Å; H28-Q31 CarbonylContact O-C 3.59Å; H28-Q31 PolarHBondContact O-N 3.06Å; H28-Q32 WeakPolarHBondContact O-CG 3.42Å; H28-Q32 PolarHBondContact O-N 3.41Å; H28-P46 HydrophobicContact CB-CB 4.34Å; H28-P46 HydrophobicContact CB-CG 3.81Å; H28-P46 PolarHBondContact CE1-O 3.33Å; H28-F47 AromaticContact CD2-CD1 3.6Å; H28-F47 AromaticContact CD2-CE1 3.36Å; H28-F47 WeakPolarHBondContact CD2-CE1 3.05Å; H28-F47 AromaticContact NE2-CD1 3.71Å; H28-F47 AromaticContact NE2-CE1 3.92Å; H28-L426 HydrophobicContact CB-CD1 3.75Å
29	L	91	Very high	81.6	Confident	15 Å²	15	81 Å²	81	8%	0.079	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.5	-176.9	-83.2	-173.9	0	0	0	115.3	V25 V27 Q32 L426 G428 E429 R431	V25-L29 HydrophobicContact CG1-CD1 3.52Å; V25-L29 HydrophobicContact CG1-CG 4.39Å; V27-L29 PolarHBondContact O-N 3.13Å; L29-Q32 PolarHBondContact O-NE2 3.11Å; L29-L426 HydrophobicContact CD2-CB 3.94Å; L29-G428 WeakPolarHBondContact CD1-O 3.34Å; L29-E429 HydrophobicContact CD2-CB 3.96Å; L29-R431 PolarHBondContact O-NH2 2.88Å
30	N	92.1	Very high	84.1	Confident	123 Å²	123	75.3 Å²	75.3	66%	0.658	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	6.5	179	-62.2	-26.8	0	0	0	113.1	H28 R431	H28-N30 PolarHBondContact O-N 3.33Å; N30-R431 PolarHBondContact OD1-NH1 2.84Å
31	Q	94.2	Very high	86.9	Confident	117 Å²	117	67.8 Å²	67.8	55%	0.547	38%	0.38	S	S	.	.			trans	-151.5	69.6	176.2	-168.5	177.8	20.9	0	0	108.8	H28 S33 V34 P46 E503	H28-Q31 CarbonylContact O-C 3.59Å; H28-Q31 PolarHBondContact O-N 3.06Å; Q31-S33 VanDerWaalsContact C-N 3.26Å; Q31-S33 PolarHBondContact O-N 3.32Å; Q31-V34 HydrophobicContact CG-CG1 4.22Å; Q31-P46 WeakPolarHBondContact O-CB 3.42Å; Q31-P46 VanDerWaalsContact O-CG 3.28Å; Q31-P46 WeakPolarHBondContact O-CG 3.14Å; Q31-E503 CarbonylContact C-O 3.59Å; Q31-E503 WeakPolarHBondContact CA-O 3.46Å
32	Q	95.7	Very high	89.6	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-81.4	-1.1	-174.3	-67.7	-167	65.9	0	0	113.8	H28 L29 L426 E429 S437 L438 E503 G504	H28-Q32 WeakPolarHBondContact O-CG 3.42Å; H28-Q32 PolarHBondContact O-N 3.41Å; L29-Q32 PolarHBondContact O-NE2 3.11Å; Q32-L426 HydrophobicContact CG-CD1 3.99Å; Q32-E429 PolarHBondContact NE2-OE2 2.89Å; Q32-S437 WeakPolarHBondContact O-CA 3.19Å; Q32-S437 WeakPolarHBondContact O-CB 3.4Å; Q32-S437 PolarHBondContact O-OG 3.44Å; Q32-S437 VanDerWaalsContact OE1-N 3.16Å; Q32-L438 PolarHBondContact O-N 2.89Å; Q32-E503 PolarHBondContact N-O 2.94Å; Q32-G504 CarbonylContact C-O 3.57Å
33	S	96.3	Very high	91.7	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.042	33%	0.327	C	S	.	.			trans	-156.7	157.6	163.8	60.1	0	0	0	0	110.7	Q31 R43 K44 G504	Q31-S33 VanDerWaalsContact C-N 3.26Å; Q31-S33 PolarHBondContact O-N 3.32Å; S33-R43 PolarHBondContact OG-NE 3.19Å; S33-K44 WeakPolarHBondContact CA-O 3.43Å; S33-G504 WeakPolarHBondContact CB-O 3.47Å; S33-G504 PolarHBondContact N-O 2.89Å; S33-G504 WeakPolarHBondContact OG-CA 3.42Å; S33-G504 PolarHBondContact OG-O 3.08Å
34	V	95.5	Very high	93	Very high	40 Å²	40	58.9 Å²	58.9	24%	0.242	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.8	174.3	-62.1	0	0	0	0	109.9	Q31 C36 R43 K44 P46	Q31-V34 HydrophobicContact CG-CG1 4.22Å; V34-C36 PolarHBondContact O-N 3.41Å; V34-R43 CarbonylContact O-C 3.57Å; V34-R43 WeakPolarHBondContact O-CA 3.25Å; V34-K44 HydrophobicContact CG2-CG 3.79Å; V34-K44 PolarHBondContact N-O 3.09Å; V34-K44 PolarHBondContact O-N 3.15Å; V34-P46 HydrophobicContact CG1-CB 4.26Å
35	I	95.2	Very high	93.7	Very high	102 Å²	102	55.9 Å²	55.9	52%	0.523	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	128.5	174.9	-62.7	171.9	0	0	0	108.3	D37 A42 R43	I35-D37 WeakPolarHBondContact CG2-O 3.5Å; I35-A42 CarbonylContact C-O 3.36Å; I35-A42 WeakPolarHBondContact CA-O 3.25Å; I35-R43 HydrophobicContact CG1-CG 3.92Å
36	C	94.8	Very high	93.8	Very high	45 Å²	45	54.8 Å²	54.8	30%	0.304	30%	0.3	S	S	.	.	S	Bend	trans	-110.7	-22.8	177.1	54.3	0	0	0	0	113.3	V34 A42 K44	V34-C36 PolarHBondContact O-N 3.41Å; C36-A42 PolarHBondContact N-O 2.87Å; C36-A42 PolarHBondContact SG-O 2.93Å; C36-A42 VanDerWaalsContact SG-O 3.33Å; C36-K44 HydrophobicContact CB-CD 3.69Å; C36-K44 HydrophobicContact CB-CG 3.92Å
37	D	94	Very high	93.5	Very high	62 Å²	62	55.5 Å²	55.5	33%	0.332	30%	0.302	S	S	.	.			trans	-131.4	121.2	162.8	171.7	31.1	0	0	0	110.2	I35 K39 T40 G41 A42	I35-D37 WeakPolarHBondContact CG2-O 3.5Å; D37-K39 VanDerWaalsContact C-N 3.32Å; D37-K39 WeakPolarHBondContact OD1-CB 3.48Å; D37-K39 PolarHBondContact OD1-N 3.36Å; D37-T40 VanDerWaalsContact OD2-CB 3.3Å; D37-T40 WeakPolarHBondContact OD2-CB 3.43Å; D37-T40 VanDerWaalsContact OD2-CG2 3.3Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.35Å; D37-T40 PolarHBondContact OD2-N 2.94Å; D37-T40 PolarHBondContact OD2-OG1 3.05Å; D37-G41 CarbonylContact O-C 3.58Å; D37-G41 VanDerWaalsContact O-CA 3.3Å; D37-G41 WeakPolarHBondContact O-CA 3.37Å; D37-G41 PolarHBondContact O-N 3.12Å; D37-A42 HydrophobicContact CB-CB 4.28Å; D37-A42 PolarHBondContact N-O 3.39Å; D37-A42 PolarHBondContact O-N 3.01Å
38	A	91.6	Very high	92.9	Very high	91 Å²	91	56.2 Å²	56.2	75%	0.752	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.2	178.2	0	0	0	0	0	113.4
39	K	93	Very high	91.9	Very high	179 Å²	179	55.5 Å²	55.5	78%	0.778	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-46.7	179.1	-176.3	-169.3	172.3	-166.1	0	112	D37	D37-K39 VanDerWaalsContact C-N 3.32Å; D37-K39 WeakPolarHBondContact OD1-CB 3.48Å; D37-K39 PolarHBondContact OD1-N 3.36Å
40	T	92.8	Very high	91.1	Very high	43 Å²	43	58.3 Å²	58.3	26%	0.264	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-9	176.5	57.3	0	0	0	0	113.5	D37 A42	D37-T40 VanDerWaalsContact OD2-CB 3.3Å; D37-T40 WeakPolarHBondContact OD2-CB 3.43Å; D37-T40 VanDerWaalsContact OD2-CG2 3.3Å; D37-T40 WeakPolarHBondContact OD2-CG2 3.35Å; D37-T40 PolarHBondContact OD2-N 2.94Å; D37-T40 PolarHBondContact OD2-OG1 3.05Å; T40-A42 PolarHBondContact O-N 3.21Å; T40-A42 WeakPolarHBondContact OG1-CB 3.44Å; T40-A42 PolarHBondContact OG1-N 3.42Å
41	G	94.2	Very high	90.7	Very high	13 Å²	13	53.9 Å²	53.9	13%	0.134	29%	0.294	C	S	.	.			trans	67.6	14.1	-170.8	0	0	0	0	0	113.4	D37	D37-G41 CarbonylContact O-C 3.58Å; D37-G41 VanDerWaalsContact O-CA 3.3Å; D37-G41 WeakPolarHBondContact O-CA 3.37Å; D37-G41 PolarHBondContact O-N 3.12Å
42	A	97	Very high	90.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.008	28%	0.281	C	S	.	.			trans	-59.8	138.4	179	0	0	0	0	0	111.1	I35 C36 D37 T40 V444 K445 W491	I35-A42 CarbonylContact C-O 3.36Å; I35-A42 WeakPolarHBondContact CA-O 3.25Å; C36-A42 PolarHBondContact N-O 2.87Å; C36-A42 PolarHBondContact SG-O 2.93Å; C36-A42 VanDerWaalsContact SG-O 3.33Å; D37-A42 HydrophobicContact CB-CB 4.28Å; D37-A42 PolarHBondContact N-O 3.39Å; D37-A42 PolarHBondContact O-N 3.01Å; T40-A42 PolarHBondContact O-N 3.21Å; T40-A42 WeakPolarHBondContact OG1-CB 3.44Å; T40-A42 PolarHBondContact OG1-N 3.42Å; A42-V444 WeakPolarHBondContact CA-O 3.28Å; A42-K445 HydrophobicContact CB-CB 4.11Å; A42-W491 HydrophobicContact CB-CH2 3.82Å; A42-W491 HydrophobicContact CB-CZ2 4.46Å
43	R	97.7	Very high	89.5	Confident	29 Å²	29	56.2 Å²	56.2	11%	0.109	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	154.2	-177.5	-71.5	166.5	118.8	124.5	-0.7	110.8	S33 V34 I35 L438 E443 V444 W500	S33-R43 PolarHBondContact OG-NE 3.19Å; V34-R43 CarbonylContact O-C 3.57Å; V34-R43 WeakPolarHBondContact O-CA 3.25Å; I35-R43 HydrophobicContact CG1-CG 3.92Å; R43-L438 HydrophobicContact CB-CD1 3.84Å; R43-L438 VanDerWaalsContact O-CD1 3.27Å; R43-L438 WeakPolarHBondContact O-CD1 3.49Å; R43-E443 CarbonylContact O-C 3.58Å; R43-E443 WeakPolarHBondContact O-CA 3.34Å; R43-V444 PolarHBondContact N-O 3.18Å; R43-V444 PolarHBondContact O-N 2.9Å; R43-W500 HydrophobicContact CB-CH2 4.24Å; R43-W500 HydrophobicContact CB-CZ2 4.12Å; R43-W500 VanDerWaalsContact CD-CZ2 3.47Å; R43-W500 HydrophobicContact CG-CZ2 4.3Å; R43-W500 VanDerWaalsContact NH1-CD1 3.28Å
44	K	96	Very high	89	Confident	91 Å²	91	63 Å²	63	40%	0.396	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	171.9	171.8	66.5	-174.2	174.8	-169.4	0	111.8	S33 V34 C36 I442 E443	S33-K44 WeakPolarHBondContact CA-O 3.43Å; V34-K44 HydrophobicContact CG2-CG 3.79Å; V34-K44 PolarHBondContact N-O 3.09Å; V34-K44 PolarHBondContact O-N 3.15Å; C36-K44 HydrophobicContact CB-CD 3.69Å; C36-K44 HydrophobicContact CB-CG 3.92Å; K44-I442 WeakPolarHBondContact CB-O 3.3Å; K44-E443 HydrophobicContact CB-CG 4.28Å
45	S	94.3	Very high	88.7	Confident	11 Å²	11	61.9 Å²	61.9	8%	0.077	33%	0.333	C	S	.	.			trans	-54.8	142.5	175.5	-156.6	0	0	0	0	111.9	F47 L438 A439	S45-F47 PolarHBondContact O-N 3.24Å; S45-L438 VanDerWaalsContact CB-O 3.29Å; S45-L438 WeakPolarHBondContact CB-O 3.44Å; S45-L438 PolarHBondContact OG-O 2.99Å; S45-A439 WeakPolarHBondContact CB-O 3.48Å
46	P	91.6	Very high	88.5	Confident	17 Å²	17	62 Å²	62	11%	0.11	34%	0.34	C	S	.	.	S	Bend	trans	-77.8	-11.1	175.5	36.8	-39.4	0	0	0	112.6	H28 Q31 V34 V48	H28-P46 HydrophobicContact CB-CB 4.34Å; H28-P46 HydrophobicContact CB-CG 3.81Å; H28-P46 PolarHBondContact CE1-O 3.33Å; Q31-P46 WeakPolarHBondContact O-CB 3.42Å; Q31-P46 VanDerWaalsContact O-CG 3.28Å; Q31-P46 WeakPolarHBondContact O-CG 3.14Å; V34-P46 HydrophobicContact CG1-CB 4.26Å; P46-V48 PolarHBondContact O-N 2.85Å
47	F	85.1	Confident	88.4	Confident	19 Å²	19	60.2 Å²	60.2	8%	0.083	33%	0.328	C	S	.	.			trans	-77.5	116.9	177.7	-65.8	-71.5	0	0	0	111.8	H28 S45 E261 L426 H440	H28-F47 AromaticContact CD2-CD1 3.6Å; H28-F47 AromaticContact CD2-CE1 3.36Å; H28-F47 WeakPolarHBondContact CD2-CE1 3.05Å; H28-F47 AromaticContact NE2-CD1 3.71Å; H28-F47 AromaticContact NE2-CE1 3.92Å; S45-F47 PolarHBondContact O-N 3.24Å; F47-E261 HydrophobicContact CE1-CG 3.73Å; F47-E261 HydrophobicContact CZ-CG 4.01Å; F47-L426 HydrophobicContact CE2-CD2 3.55Å; F47-L426 HydrophobicContact CZ-CD1 4.44Å; F47-L426 HydrophobicContact CZ-CD2 3.79Å; F47-H440 PolarHBondContact O-ND1 3.33Å
48	V	75.9	Confident	88.2	Confident	129 Å²	129	64.7 Å²	64.7	78%	0.782	34%	0.344	S	S	*	.			trans	-64.7	138.7	153	-175.2	0	0	0	0	107.8	P46 K50	P46-V48 PolarHBondContact O-N 2.85Å; V48-K50 PolarHBondContact O-N 2.97Å; V48-K50 VanDerWaalsContact O-N 3.13Å
49	S	72.4	Confident	88.2	Confident	33 Å²	33	60.7 Å²	60.7	23%	0.231	31%	0.311	C	S	.	.			trans	-53.1	114.5	-178.4	33.4	0	0	0	0	111.9	D53	S49-D53 WeakPolarHBondContact CB-OD2 3.46Å; S49-D53 PolarHBondContact OG-OD2 2.9Å
50	K	73.2	Confident	88.1	Confident	74 Å²	74	52.2 Å²	52.2	32%	0.322	27%	0.273	S	S	.	.	S	Bend	trans	-100.7	-30.4	-178.9	-170.6	177.5	178.4	-175.7	0	111.6	E22 V48 K54 E258	E22-K50 IonicContact OE1-NZ 2.61Å; E22-K50 PolarHBondContact OE1-NZ 3.42Å; E22-K50 IonicContact OE2-NZ 3.87Å; V48-K50 PolarHBondContact O-N 2.97Å; V48-K50 VanDerWaalsContact O-N 3.13Å; K50-K54 WeakPolarHBondContact O-CD 3.46Å; K50-K54 WeakPolarHBondContact O-CE 3.36Å; K50-K54 PolarHBondContact O-NZ 2.88Å; K50-E258 WeakPolarHBondContact CB-OE2 3.12Å; K50-E258 PolarHBondContact N-OE1 3.03Å; K50-E258 PolarHBondContact N-OE2 3.35Å
51	F	83.5	Confident	88	Confident	30 Å²	30	51.9 Å²	51.9	13%	0.132	27%	0.269	C	S	.	.	S	Bend	trans	-123.5	-34.7	-173.8	-54.7	-73.7	0	0	0	113.8	D53 K54 I55 L257 E258 N262	F51-D53 VanDerWaalsContact C-N 3.34Å; F51-D53 PolarHBondContact O-N 3.36Å; F51-K54 PolarHBondContact O-N 3.33Å; F51-I55 HydrophobicContact CB-CD1 4.27Å; F51-I55 PolarHBondContact O-N 2.79Å; F51-I55 VanDerWaalsContact O-N 3.1Å; F51-L257 HydrophobicContact CB-CD2 3.62Å; F51-L257 HydrophobicContact CB-CG 3.95Å; F51-L257 HydrophobicContact CD2-CD1 4.39Å; F51-L257 HydrophobicContact CD2-CD2 4.5Å; F51-L257 HydrophobicContact CD2-CG 3.92Å; F51-L257 HydrophobicContact CG-CD1 4.46Å; F51-L257 HydrophobicContact CG-CD2 4.05Å; F51-L257 HydrophobicContact CG-CG 3.95Å; F51-E258 WeakPolarHBondContact CA-OE1 3.4Å; F51-E258 WeakPolarHBondContact CD2-OE2 3.47Å; F51-E258 PolarHBondContact N-OE1 3.18Å; F51-N262 HydrophobicContact CE1-CB 3.78Å; F51-N262 HydrophobicContact CE2-CB 3.89Å; F51-N262 HydrophobicContact CZ-CB 3.41Å; F51-N262 VanDerWaalsContact CZ-CB 3.41Å
52	V	82.1	Confident	87.9	Confident	45 Å²	45	53 Å²	53	27%	0.273	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-49.8	-52.6	178.9	174.3	0	0	0	0	111.5	K54 F254 E258	V52-K54 PolarHBondContact O-N 2.99Å; V52-K54 VanDerWaalsContact O-N 3.07Å; V52-F254 HydrophobicContact CB-CD1 4.34Å; V52-F254 HydrophobicContact CG2-CB 3.78Å; V52-F254 HydrophobicContact CG2-CD1 3.68Å; V52-F254 HydrophobicContact CG2-CE1 4.39Å; V52-F254 HydrophobicContact CG2-CG 3.76Å; V52-E258 HydrophobicContact CG2-CG 4.22Å; V52-E258 PolarHBondContact N-OE1 3.08Å
53	D	83.1	Confident	87.8	Confident	120 Å²	120	53 Å²	53	64%	0.642	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-72.2	-3	-176	-55.3	-36.8	0	0	0	114.3	S49 F51	S49-D53 WeakPolarHBondContact CB-OD2 3.46Å; S49-D53 PolarHBondContact OG-OD2 2.9Å; F51-D53 VanDerWaalsContact C-N 3.34Å; F51-D53 PolarHBondContact O-N 3.36Å
54	K	86.3	Confident	87.7	Confident	150 Å²	150	51.9 Å²	51.9	65%	0.652	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-119.9	-14.3	-172.7	-60.5	-179.2	-168.7	138.5	0	114	K50 F51 V52	K50-K54 WeakPolarHBondContact O-CD 3.46Å; K50-K54 WeakPolarHBondContact O-CE 3.36Å; K50-K54 PolarHBondContact O-NZ 2.88Å; F51-K54 PolarHBondContact O-N 3.33Å; V52-K54 PolarHBondContact O-N 2.99Å; V52-K54 VanDerWaalsContact O-N 3.07Å
55	I	89.7	Confident	87.6	Confident	16 Å²	16	50.6 Å²	50.6	8%	0.082	26%	0.263	C	S	.	.	S	Bend	trans	-110.5	113.1	-180	-65.3	179.9	0	0	0	106.8	F51 V57 Y66 F254 L257 M291	F51-I55 HydrophobicContact CB-CD1 4.27Å; F51-I55 PolarHBondContact O-N 2.79Å; F51-I55 VanDerWaalsContact O-N 3.1Å; I55-V57 HydrophobicContact CG2-CB 4.04Å; I55-V57 HydrophobicContact CG2-CG2 3.64Å; I55-V57 PolarHBondContact O-N 3.2Å; I55-Y66 HydrophobicContact CD1-CE1 4.44Å; I55-Y66 HydrophobicContact CG2-CD1 4.23Å; I55-Y66 HydrophobicContact CG2-CD2 4.13Å; I55-Y66 HydrophobicContact CG2-CE1 4.01Å; I55-Y66 HydrophobicContact CG2-CE2 3.89Å; I55-Y66 HydrophobicContact CG2-CG 4.31Å; I55-F254 HydrophobicContact CB-CE1 3.87Å; I55-F254 HydrophobicContact CB-CZ 3.81Å; I55-F254 HydrophobicContact CD1-CE1 4.27Å; I55-F254 HydrophobicContact CG2-CE1 4.14Å; I55-F254 HydrophobicContact CG2-CZ 3.79Å; I55-L257 HydrophobicContact CD1-CD2 3.63Å; I55-M291 HydrophobicContact CG2-SD 4.48Å
56	P	89.8	Confident	87.7	Confident	103 Å²	103	53.8 Å²	53.8	67%	0.669	27%	0.274	S	S	*	.			trans	-79.4	51.3	-171.7	34.4	-37.7	0	0	0	112.3
57	V	92.7	Very high	88	Confident	9 Å²	9	53 Å²	53	6%	0.055	27%	0.268	C	S	.	.			trans	-106.2	118.4	179.2	170.2	0	0	0	0	108.4	I55 D62 V63 Y66 V250 F254 M291	I55-V57 HydrophobicContact CG2-CB 4.04Å; I55-V57 HydrophobicContact CG2-CG2 3.64Å; I55-V57 PolarHBondContact O-N 3.2Å; V57-D62 HydrophobicContact CB-CB 4.2Å; V57-D62 HydrophobicContact CG1-CB 4.1Å; V57-D62 HydrophobicContact CG2-CB 4.13Å; V57-V63 HydrophobicContact CG1-CB 4.45Å; V57-V63 HydrophobicContact CG1-CG2 3.57Å; V57-Y66 HydrophobicContact CG2-CD2 4.28Å; V57-Y66 HydrophobicContact CG2-CG 3.94Å; V57-V250 HydrophobicContact CG1-CG1 3.9Å; V57-V250 HydrophobicContact CG1-CG2 4.31Å; V57-F254 HydrophobicContact CB-CE2 4.09Å; V57-F254 HydrophobicContact CB-CZ 4.13Å; V57-F254 HydrophobicContact CG1-CE2 4.27Å; V57-F254 WeakPolarHBondContact O-CE2 3.38Å; V57-M291 HydrophobicContact CB-SD 4.33Å; V57-M291 HydrophobicContact CG1-SD 4.06Å; V57-M291 HydrophobicContact CG2-CG 4.41Å; V57-M291 HydrophobicContact CG2-SD 4.24Å
58	K	90.7	Very high	88.5	Confident	155 Å²	155	52.6 Å²	52.6	67%	0.674	27%	0.267	S	S	*	.			trans	-124.5	-22.7	178.8	-60.1	179.5	-177.6	178.6	0	111.9	D62	K58-D62 WeakPolarHBondContact CA-OD2 3.33Å; K58-D62 PolarHBondContact N-OD2 2.75Å
59	T	90.3	Very high	89.5	Confident	8 Å²	8	51.3 Å²	51.3	5%	0.049	26%	0.256	C	S	.	.	S	Bend	trans	-125.1	166.6	-178.2	83.6	0	0	0	0	113.8	K61 D62 V63 P223	T59-K61 PolarHBondContact O-N 3.43Å; T59-K61 WeakPolarHBondContact OG1-CB 3.5Å; T59-K61 PolarHBondContact OG1-N 3.15Å; T59-D62 PolarHBondContact N-OD2 2.67Å; T59-D62 PolarHBondContact O-N 3.02Å; T59-D62 PolarHBondContact OG1-N 2.78Å; T59-D62 PolarHBondContact OG1-OD1 2.76Å; T59-D62 PolarHBondContact OG1-OD2 3.44Å; T59-V63 WeakPolarHBondContact O-CG2 3.4Å; T59-V63 PolarHBondContact O-N 3.38Å; T59-P223 HydrophobicContact CG2-CB 3.45Å; T59-P223 VanDerWaalsContact CG2-CB 3.45Å; T59-P223 HydrophobicContact CG2-CG 3.92Å
60	M	92.3	Very high	90.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-72.6	-12.6	171.3	-78.6	-59.8	-63.2	0	0	113.9	V63 H135 A138 Y227 I249 V250 S287	M60-V63 HydrophobicContact CE-CG1 4.31Å; M60-V63 HydrophobicContact SD-CB 4.22Å; M60-V63 HydrophobicContact SD-CG1 4.35Å; M60-V63 HydrophobicContact SD-CG2 3.91Å; M60-H135 VanDerWaalsContact CE-CE1 3.43Å; M60-H135 WeakPolarHBondContact CE-CE1 3.41Å; M60-H135 PolarHBondContact O-CE1 2.59Å; M60-H135 PolarHBondContact O-ND1 2.78Å; M60-A138 HydrophobicContact CB-CB 3.55Å; M60-Y227 HydrophobicContact CB-CD2 4.4Å; M60-Y227 HydrophobicContact CB-CE2 4.16Å; M60-Y227 HydrophobicContact CG-CD1 4.01Å; M60-Y227 HydrophobicContact CG-CD2 4.47Å; M60-Y227 HydrophobicContact CG-CE1 3.7Å; M60-Y227 HydrophobicContact CG-CE2 4.22Å; M60-Y227 HydrophobicContact CG-CG 4.38Å; M60-I249 HydrophobicContact CE-CD1 4.41Å; M60-I249 HydrophobicContact CG-CG2 3.53Å; M60-I249 HydrophobicContact SD-CD1 4.07Å; M60-I249 HydrophobicContact SD-CG1 4.23Å; M60-I249 HydrophobicContact SD-CG2 3.9Å; M60-V250 HydrophobicContact SD-CG2 4.5Å; M60-S287 WeakPolarHBondContact CE-OG 3.4Å
61	K	89.4	Confident	91.8	Very high	37 Å²	37	49.5 Å²	49.5	16%	0.161	25%	0.249	C	C	.	.	H	α-helix	trans	-73.5	-50	162.7	174.2	176.4	167.2	-177.3	0	109.8	T59 V63 F64 E65 A139 D220 P221	T59-K61 PolarHBondContact O-N 3.43Å; T59-K61 WeakPolarHBondContact OG1-CB 3.5Å; T59-K61 PolarHBondContact OG1-N 3.15Å; K61-V63 PolarHBondContact O-N 3.11Å; K61-F64 WeakPolarHBondContact O-CA 3.31Å; K61-F64 PolarHBondContact O-N 3.03Å; K61-E65 WeakPolarHBondContact CE-OE1 3.48Å; K61-E65 HydrophobicContact CG-CG 4.18Å; K61-E65 IonicContact NZ-OE1 3.69Å; K61-E65 PolarHBondContact O-N 3.06Å; K61-A139 HydrophobicContact CB-CB 4.25Å; K61-A139 HydrophobicContact CD-CB 4.16Å; K61-A139 HydrophobicContact CG-CB 4.11Å; K61-D220 IonicContact NZ-OD1 2.63Å; K61-D220 PolarHBondContact NZ-OD1 2.77Å; K61-P221 HydrophobicContact CD-CG 3.64Å
62	D	92.9	Very high	92.4	Very high	36 Å²	36	53.2 Å²	53.2	19%	0.193	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-35.6	-178.8	-41.4	-11.4	0	0	0	111.6	V57 K58 T59 F64 E65 Y66	V57-D62 HydrophobicContact CB-CB 4.2Å; V57-D62 HydrophobicContact CG1-CB 4.1Å; V57-D62 HydrophobicContact CG2-CB 4.13Å; K58-D62 WeakPolarHBondContact CA-OD2 3.33Å; K58-D62 PolarHBondContact N-OD2 2.75Å; T59-D62 PolarHBondContact N-OD2 2.67Å; T59-D62 PolarHBondContact O-N 3.02Å; T59-D62 PolarHBondContact OG1-N 2.78Å; T59-D62 PolarHBondContact OG1-OD1 2.76Å; T59-D62 PolarHBondContact OG1-OD2 3.44Å; D62-F64 VanDerWaalsContact C-N 3.31Å; D62-F64 PolarHBondContact O-N 2.78Å; D62-E65 PolarHBondContact O-N 3.26Å; D62-Y66 VanDerWaalsContact O-CB 3.23Å; D62-Y66 WeakPolarHBondContact O-CB 3.47Å; D62-Y66 PolarHBondContact O-N 2.98Å
63	V	95.8	Very high	93.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-52.1	-49.2	170.7	160.6	0	0	0	0	111.2	V57 T59 M60 K61 G67 V250 S287 I290 M291	V57-V63 HydrophobicContact CG1-CB 4.45Å; V57-V63 HydrophobicContact CG1-CG2 3.57Å; T59-V63 WeakPolarHBondContact O-CG2 3.4Å; T59-V63 PolarHBondContact O-N 3.38Å; M60-V63 HydrophobicContact CE-CG1 4.31Å; M60-V63 HydrophobicContact SD-CB 4.22Å; M60-V63 HydrophobicContact SD-CG1 4.35Å; M60-V63 HydrophobicContact SD-CG2 3.91Å; K61-V63 PolarHBondContact O-N 3.11Å; V63-G67 PolarHBondContact O-N 2.85Å; V63-V250 HydrophobicContact CG2-CG2 3.97Å; V63-S287 WeakPolarHBondContact CG1-O 3.17Å; V63-I290 HydrophobicContact CG1-CB 4.44Å; V63-I290 HydrophobicContact CG1-CG2 4.08Å; V63-M291 HydrophobicContact CG1-CB 4.17Å; V63-M291 WeakPolarHBondContact O-CA 3.39Å
64	F	95.4	Very high	93.8	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-72.5	-42.7	178.5	-178.6	-98	0	0	0	111.9	K61 D62 Y66 G67 L68 Y92 V95 D96 I99 I290	K61-F64 WeakPolarHBondContact O-CA 3.31Å; K61-F64 PolarHBondContact O-N 3.03Å; D62-F64 VanDerWaalsContact C-N 3.31Å; D62-F64 PolarHBondContact O-N 2.78Å; F64-Y66 VanDerWaalsContact C-N 3.35Å; F64-Y66 PolarHBondContact O-N 3.4Å; F64-G67 PolarHBondContact O-N 3.2Å; F64-L68 HydrophobicContact CE1-CB 4.13Å; F64-L68 HydrophobicContact CE1-CD2 4.07Å; F64-L68 HydrophobicContact CZ-CB 4.42Å; F64-L68 VanDerWaalsContact O-CB 3.25Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 3.45Å; F64-Y92 HydrophobicContact CD2-CE1 4.45Å; F64-Y92 AromaticContact CE2-CD1 3.79Å; F64-Y92 HydrophobicContact CE2-CD1 3.79Å; F64-Y92 HydrophobicContact CE2-CE1 4.08Å; F64-Y92 HydrophobicContact CZ-CD1 4.12Å; F64-V95 HydrophobicContact CD2-CG1 4.49Å; F64-V95 HydrophobicContact CE2-CB 4.13Å; F64-V95 HydrophobicContact CE2-CG1 3.47Å; F64-V95 VanDerWaalsContact CE2-CG1 3.47Å; F64-V95 HydrophobicContact CZ-CB 4.02Å; F64-V95 HydrophobicContact CZ-CG1 3.7Å; F64-D96 HydrophobicContact CE1-CB 3.81Å; F64-D96 HydrophobicContact CZ-CB 4.05Å; F64-I99 HydrophobicContact CD1-CD1 3.62Å; F64-I99 HydrophobicContact CD2-CD1 3.8Å; F64-I99 HydrophobicContact CE1-CD1 3.54Å; F64-I99 HydrophobicContact CE2-CD1 3.74Å; F64-I99 HydrophobicContact CG-CD1 3.76Å; F64-I99 HydrophobicContact CZ-CD1 3.62Å; F64-I290 HydrophobicContact CB-CG2 4.32Å; F64-I290 HydrophobicContact CD2-CG2 3.87Å
65	E	93.8	Very high	94.3	Very high	65 Å²	65	54.2 Å²	54.2	30%	0.304	26%	0.258	S	S	.	.	H	α-helix	trans	-65	-35.8	-179.5	-69	-168.6	154.7	0	0	112.8	K61 D62 L68 N69	K61-E65 WeakPolarHBondContact CE-OE1 3.48Å; K61-E65 HydrophobicContact CG-CG 4.18Å; K61-E65 IonicContact NZ-OE1 3.69Å; K61-E65 PolarHBondContact O-N 3.06Å; D62-E65 PolarHBondContact O-N 3.26Å; E65-L68 PolarHBondContact O-N 3.5Å; E65-N69 VanDerWaalsContact O-CB 3.31Å; E65-N69 WeakPolarHBondContact O-CB 3.37Å; E65-N69 PolarHBondContact O-N 3.07Å; E65-N69 PolarHBondContact O-ND2 3.18Å
66	Y	96.3	Very high	94.7	Very high	78 Å²	78	53.5 Å²	53.5	31%	0.306	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-40	174.9	-168.8	-94.5	0	0	0	111.5	I55 V57 D62 F64 N69 T70 M291	I55-Y66 HydrophobicContact CD1-CE1 4.44Å; I55-Y66 HydrophobicContact CG2-CD1 4.23Å; I55-Y66 HydrophobicContact CG2-CD2 4.13Å; I55-Y66 HydrophobicContact CG2-CE1 4.01Å; I55-Y66 HydrophobicContact CG2-CE2 3.89Å; I55-Y66 HydrophobicContact CG2-CG 4.31Å; V57-Y66 HydrophobicContact CG2-CD2 4.28Å; V57-Y66 HydrophobicContact CG2-CG 3.94Å; D62-Y66 VanDerWaalsContact O-CB 3.23Å; D62-Y66 WeakPolarHBondContact O-CB 3.47Å; D62-Y66 PolarHBondContact O-N 2.98Å; F64-Y66 VanDerWaalsContact C-N 3.35Å; F64-Y66 PolarHBondContact O-N 3.4Å; Y66-N69 PolarHBondContact O-N 3.47Å; Y66-T70 VanDerWaalsContact O-CB 3.32Å; Y66-T70 WeakPolarHBondContact O-CB 3.43Å; Y66-T70 PolarHBondContact O-N 3.04Å; Y66-T70 PolarHBondContact O-OG1 2.99Å; Y66-M291 HydrophobicContact CD1-CG 3.97Å; Y66-M291 WeakPolarHBondContact CD1-O 3.42Å
67	G	97.6	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.5	-47.9	170.1	0	0	0	0	0	113.2	V63 F64 N69 T70 S71 I290	V63-G67 PolarHBondContact O-N 2.85Å; F64-G67 PolarHBondContact O-N 3.2Å; G67-N69 VanDerWaalsContact C-N 3.34Å; G67-N69 PolarHBondContact O-N 3.34Å; G67-T70 CarbonylContact O-C 3.3Å; G67-T70 PolarHBondContact O-N 3.37Å; G67-T70 VanDerWaalsContact O-N 3.16Å; G67-S71 PolarHBondContact O-N 2.96Å; G67-I290 WeakPolarHBondContact CA-O 3.1Å
68	L	96.1	Very high	94.9	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.052	22%	0.223	C	C	.	.	H	α-helix	trans	-58.8	-41.1	175.6	172.1	66.5	0	0	0	112.1	F64 E65 R72 Y92 D96	F64-L68 HydrophobicContact CE1-CB 4.13Å; F64-L68 HydrophobicContact CE1-CD2 4.07Å; F64-L68 HydrophobicContact CZ-CB 4.42Å; F64-L68 VanDerWaalsContact O-CB 3.25Å; F64-L68 WeakPolarHBondContact O-CB 3.36Å; F64-L68 PolarHBondContact O-N 3.45Å; E65-L68 PolarHBondContact O-N 3.5Å; L68-R72 HydrophobicContact CD1-CG 4.02Å; L68-R72 WeakPolarHBondContact O-CA 3.42Å; L68-R72 WeakPolarHBondContact O-CB 3.5Å; L68-R72 PolarHBondContact O-N 2.88Å; L68-Y92 HydrophobicContact CB-CD1 4.21Å; L68-D96 HydrophobicContact CD1-CB 3.91Å; L68-D96 HydrophobicContact CD2-CB 3.97Å; L68-D96 VanDerWaalsContact CD2-OD1 3.31Å; L68-D96 WeakPolarHBondContact CD2-OD1 3.06Å
69	N	96.7	Very high	94.2	Very high	103 Å²	103	43.4 Å²	43.4	55%	0.551	20%	0.201	S	C	*	.	H	α-helix	trans	-73.4	-32.3	177	-72.7	-37.1	0	0	0	112.1	E65 Y66 G67 R72	E65-N69 VanDerWaalsContact O-CB 3.31Å; E65-N69 WeakPolarHBondContact O-CB 3.37Å; E65-N69 PolarHBondContact O-N 3.07Å; E65-N69 PolarHBondContact O-ND2 3.18Å; Y66-N69 PolarHBondContact O-N 3.47Å; G67-N69 VanDerWaalsContact C-N 3.34Å; G67-N69 PolarHBondContact O-N 3.34Å; N69-R72 PolarHBondContact OD1-NH2 3.4Å
70	T	95.7	Very high	93	Very high	66 Å²	66	49.1 Å²	49.1	41%	0.405	22%	0.222	S	C	.	.	H	α-helix	trans	-73.7	-31.3	174.7	-60.5	0	0	0	0	112.7	Y66 G67	Y66-T70 VanDerWaalsContact O-CB 3.32Å; Y66-T70 WeakPolarHBondContact O-CB 3.43Å; Y66-T70 PolarHBondContact O-N 3.04Å; Y66-T70 PolarHBondContact O-OG1 2.99Å; G67-T70 CarbonylContact O-C 3.3Å; G67-T70 PolarHBondContact O-N 3.37Å; G67-T70 VanDerWaalsContact O-N 3.16Å
71	S	97.5	Very high	91.3	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	24%	0.24	C	C	.	.	H	α-helix	trans	-145.6	28.6	-164.5	-75.8	0	0	0	0	115.4	G67 F73 Y74 Y92 S267 G293	G67-S71 PolarHBondContact O-N 2.96Å; S71-F73 VanDerWaalsContact C-N 3.27Å; S71-F73 PolarHBondContact O-N 2.97Å; S71-Y74 WeakPolarHBondContact O-CB 3.38Å; S71-Y74 PolarHBondContact O-N 2.83Å; S71-Y92 WeakPolarHBondContact O-CD2 3.41Å; S71-S267 WeakPolarHBondContact OG-CB 3.32Å; S71-G293 VanDerWaalsContact CB-O 3.28Å; S71-G293 WeakPolarHBondContact CB-O 3.36Å; S71-G293 PolarHBondContact OG-O 3.09Å; S71-G293 VanDerWaalsContact OG-O 3.13Å
72	R	97.1	Very high	89.5	Confident	109 Å²	109	57.1 Å²	57.1	41%	0.411	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-36.8	-47	-177.4	-162.1	168.1	-66.9	176.9	-1.4	116.4	L68 N69 N93	L68-R72 HydrophobicContact CD1-CG 4.02Å; L68-R72 WeakPolarHBondContact O-CA 3.42Å; L68-R72 WeakPolarHBondContact O-CB 3.5Å; L68-R72 PolarHBondContact O-N 2.88Å; N69-R72 PolarHBondContact OD1-NH2 3.4Å; R72-N93 HydrophobicContact CG-CB 4Å; R72-N93 VanDerWaalsContact O-CB 3.26Å; R72-N93 WeakPolarHBondContact O-CB 3.29Å; R72-N93 PolarHBondContact O-N 2.89Å
73	F	97.5	Very high	87.2	Confident	147 Å²	147	60.1 Å²	60.1	65%	0.645	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	13.3	-176	-53.9	-63.5	0	0	0	114	S71 I91	S71-F73 VanDerWaalsContact C-N 3.27Å; S71-F73 PolarHBondContact O-N 2.97Å; F73-I91 HydrophobicContact CD1-CD1 4.2Å
74	Y	97	Very high	85	Confident	152 Å²	152	67.5 Å²	67.5	60%	0.596	33%	0.329	S	S	*	.	S	Bend	trans	-104.9	156.3	176.2	-67.3	-86	0	0	0	111.2	S71 C76 I91 Y92	S71-Y74 WeakPolarHBondContact O-CB 3.38Å; S71-Y74 PolarHBondContact O-N 2.83Å; Y74-C76 PolarHBondContact O-N 2.88Å; Y74-I91 WeakPolarHBondContact O-CA 3.15Å; Y74-I91 WeakPolarHBondContact O-CB 3.47Å; Y74-Y92 PolarHBondContact O-N 2.87Å; Y74-Y92 VanDerWaalsContact O-N 3.07Å
75	P	96.4	Very high	83.1	Confident	36 Å²	36	74.3 Å²	74.3	23%	0.234	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	135.9	175.3	-31.3	38.5	0	0	0	113.6	W89 R295	P75-W89 HydrophobicContact CB-CB 3.77Å; P75-W89 HydrophobicContact CB-CD2 3.69Å; P75-W89 HydrophobicContact CB-CE3 3.7Å; P75-W89 HydrophobicContact CB-CG 3.74Å; P75-W89 HydrophobicContact CG-CB 4.16Å; P75-W89 HydrophobicContact CG-CD2 4.49Å; P75-W89 HydrophobicContact CG-CG 4.16Å; P75-R295 VanDerWaalsContact O-CB 3.32Å; P75-R295 WeakPolarHBondContact O-CB 3.49Å
76	C	98.1	Very high	81.6	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.007	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-59	175.5	-175.7	0	0	0	0	110.7	Y74 L90 Y92 V95 R295 L296	Y74-C76 PolarHBondContact O-N 2.88Å; C76-L90 PolarHBondContact N-O 2.83Å; C76-Y92 HydrophobicContact CB-CD1 4.21Å; C76-Y92 HydrophobicContact CB-CD2 3.54Å; C76-Y92 HydrophobicContact CB-CE1 4.34Å; C76-Y92 HydrophobicContact CB-CE2 3.66Å; C76-Y92 HydrophobicContact CB-CG 3.8Å; C76-Y92 VanDerWaalsContact SG-CE1 3.59Å; C76-Y92 VanDerWaalsContact SG-CZ 3.57Å; C76-V95 HydrophobicContact CB-CG2 3.79Å; C76-R295 CarbonylContact O-C 3.51Å; C76-R295 WeakPolarHBondContact O-CA 3.3Å; C76-R295 VanDerWaalsContact O-CB 3.31Å; C76-R295 WeakPolarHBondContact O-CB 3.5Å; C76-L296 PolarHBondContact O-N 3.06Å
77	L	96.3	Very high	80.6	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.8	-174.7	-55.2	177.8	0	0	0	111.6	W89 L90 V95 P128 I131 I132 L296 F298	L77-W89 VanDerWaalsContact C-CE3 3.5Å; L77-W89 CarbonylContact O-C 3.59Å; L77-W89 WeakPolarHBondContact O-CA 3.39Å; L77-L90 PolarHBondContact N-O 3.36Å; L77-L90 PolarHBondContact O-N 3.14Å; L77-V95 HydrophobicContact CB-CG2 4.34Å; L77-V95 HydrophobicContact CD1-CG1 3.9Å; L77-V95 HydrophobicContact CD1-CG2 3.8Å; L77-V95 HydrophobicContact CG-CG2 3.88Å; L77-P128 HydrophobicContact CB-CB 4.1Å; L77-P128 HydrophobicContact CD1-CB 4.17Å; L77-I131 HydrophobicContact CD1-CB 4.13Å; L77-I131 HydrophobicContact CD1-CG2 3.99Å; L77-I131 HydrophobicContact CD2-CB 4.27Å; L77-I131 HydrophobicContact CD2-CG1 4.43Å; L77-I131 HydrophobicContact CD2-CG2 3.9Å; L77-I132 HydrophobicContact CD1-CD1 4.13Å; L77-I132 HydrophobicContact CD1-CG1 3.66Å; L77-L296 HydrophobicContact CD2-CB 3.92Å; L77-L296 HydrophobicContact CD2-CD1 3.87Å; L77-L296 HydrophobicContact CD2-CG 4.03Å; L77-F298 HydrophobicContact CB-CE2 4.35Å; L77-F298 HydrophobicContact CD2-CE2 4.36Å; L77-F298 HydrophobicContact CD2-CZ 4.18Å
78	R	89.9	Confident	80	Confident	13 Å²	13	79.4 Å²	79.4	5%	0.049	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.4	-177.2	-170.9	-178	176.5	-144	2.9	111.9	Y87 W89 P128 L296 F298 D309	R78-Y87 HydrophobicContact CG-CD1 4.35Å; R78-Y87 VanDerWaalsContact NH2-CD1 3.3Å; R78-Y87 VanDerWaalsContact NH2-CE2 3.29Å; R78-Y87 PolarHBondContact NH2-OH 2.7Å; R78-W89 HydrophobicContact CB-CD2 4.22Å; R78-W89 HydrophobicContact CB-CE3 3.89Å; R78-W89 HydrophobicContact CB-CH2 3.8Å; R78-W89 HydrophobicContact CB-CZ2 4.15Å; R78-W89 HydrophobicContact CB-CZ3 3.67Å; R78-W89 HydrophobicContact CG-CD2 4.48Å; R78-W89 HydrophobicContact CG-CH2 4.23Å; R78-W89 HydrophobicContact CG-CZ2 4.1Å; R78-W89 HydrophobicContact CG-CZ3 4.49Å; R78-P128 WeakPolarHBondContact O-CG 3.25Å; R78-L296 PolarHBondContact N-O 3.45Å; R78-L296 VanDerWaalsContact N-O 3.09Å; R78-F298 PolarHBondContact NH1-O 3.01Å; R78-F298 VanDerWaalsContact NH1-O 3.13Å; R78-D309 IonicContact CZ-OD1 3.32Å; R78-D309 VanDerWaalsContact CZ-OD1 3.28Å; R78-D309 IonicContact NH1-OD1 2.73Å; R78-D309 PolarHBondContact NH1-OD1 2.99Å; R78-D309 IonicContact NH2-OD1 2.8Å; R78-D309 PolarHBondContact NH2-OD1 3.37Å
79	I	76.5	Confident	79.9	Confident	43 Å²	43	82.1 Å²	82.1	22%	0.221	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	138.3	174.8	-71.3	174.3	0	0	0	110.7	L81 S88 L90 P128	I79-L81 HydrophobicContact CG2-CD2 4.23Å; I79-S88 WeakPolarHBondContact CB-OG 3.3Å; I79-S88 PolarHBondContact N-O 3.19Å; I79-S88 PolarHBondContact O-N 2.88Å; I79-L90 HydrophobicContact CD1-CD1 4.02Å; I79-L90 HydrophobicContact CD1-CD2 3.73Å; I79-L90 HydrophobicContact CD1-CG 3.61Å; I79-L90 HydrophobicContact CG1-CG 4.24Å; I79-P128 HydrophobicContact CG1-CG 4.21Å
80	R	64	Low	79.7	Confident	128 Å²	128	78.1 Å²	78.1	48%	0.483	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	109.3	165.9	-179.2	-178.1	-174.9	-168.8	0.5	108.5	T300 D301	R80-T300 WeakPolarHBondContact CD-O 3.33Å; R80-T300 VanDerWaalsContact CZ-O 3.26Å; R80-T300 PolarHBondContact NE-O 2.93Å; R80-T300 PolarHBondContact NH1-O 2.88Å; R80-D301 IonicContact CZ-OD1 3.58Å; R80-D301 IonicContact NH1-OD1 2.93Å; R80-D301 PolarHBondContact NH1-OD1 3.24Å; R80-D301 IonicContact NH2-OD1 3.9Å; R80-D301 PolarHBondContact NH2-OD1 3.07Å
81	L	57.2	Low	79.7	Confident	74 Å²	74	77 Å²	77	39%	0.387	37%	0.371	S	S	.	.			trans	-77.8	125	168.2	-60.2	173.6	0	0	0	108.4	I79 S83 K86	I79-L81 HydrophobicContact CG2-CD2 4.23Å; L81-S83 PolarHBondContact O-N 3.18Å; L81-K86 WeakPolarHBondContact CB-O 3.24Å; L81-K86 HydrophobicContact CD1-CB 4.18Å
82	P	50.9	Low	79.7	Confident	130 Å²	130	76.9 Å²	76.9	84%	0.844	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.3	-171.2	-28.4	33.7	0	0	0	116.4
83	S	45	Very low	79.6	Confident	100 Å²	100	73.8 Å²	73.8	70%	0.699	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-7.9	-153.7	57.9	0	0	0	0	118	L81	L81-S83 PolarHBondContact O-N 3.18Å
84	K	48.9	Very low	79.4	Confident	154 Å²	154	70.8 Å²	70.8	67%	0.67	35%	0.35	S	S	*	.	S	Bend	trans	-144.7	13.3	-169.2	-66.7	-167.3	176.9	178.9	0	118	K86	K84-K86 HydrophobicContact CB-CB 4.43Å; K84-K86 HydrophobicContact CB-CD 4.3Å; K84-K86 HydrophobicContact CB-CG 4.04Å; K84-K86 PolarHBondContact O-N 3.29Å
85	N	55.4	Low	79.3	Confident	150 Å²	150	63.6 Å²	63.6	80%	0.802	32%	0.322	S	S	*	.	S	Bend	trans	51.4	22.4	-169	-70.4	-17.3	0	0	0	113.6
86	K	63.9	Low	79.1	Confident	138 Å²	138	62.9 Å²	62.9	60%	0.6	32%	0.316	S	S	*	.			trans	-96.2	134.9	175.4	-69.4	-171.4	178.3	-169.9	0	108.2	L81 K84	L81-K86 WeakPolarHBondContact CB-O 3.24Å; L81-K86 HydrophobicContact CD1-CB 4.18Å; K84-K86 HydrophobicContact CB-CB 4.43Å; K84-K86 HydrophobicContact CB-CD 4.3Å; K84-K86 HydrophobicContact CB-CG 4.04Å; K84-K86 PolarHBondContact O-N 3.29Å
87	Y	73.8	Confident	78.5	Confident	72 Å²	72	69.4 Å²	69.4	28%	0.282	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.3	176.5	-56	-85.2	0	0	0	108.4	R78 T300 A312	R78-Y87 HydrophobicContact CG-CD1 4.35Å; R78-Y87 VanDerWaalsContact NH2-CD1 3.3Å; R78-Y87 VanDerWaalsContact NH2-CE2 3.29Å; R78-Y87 PolarHBondContact NH2-OH 2.7Å; Y87-T300 HydrophobicContact CE1-CG2 3.73Å; Y87-T300 WeakPolarHBondContact OH-CG2 3.5Å; Y87-A312 HydrophobicContact CE2-CB 4.18Å
88	S	86	Confident	78.1	Confident	39 Å²	39	72.1 Å²	72.1	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	163.4	163.5	43.6	0	0	0	0	109.6	I79	I79-S88 WeakPolarHBondContact CB-OG 3.3Å; I79-S88 PolarHBondContact N-O 3.19Å; I79-S88 PolarHBondContact O-N 2.88Å
89	W	92.7	Very high	78	Confident	68 Å²	68	71.7 Å²	71.7	26%	0.258	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132	169.7	-71.3	89.6	0	0	0	107.7	P75 L77 R78 R295 L296 L313	P75-W89 HydrophobicContact CB-CB 3.77Å; P75-W89 HydrophobicContact CB-CD2 3.69Å; P75-W89 HydrophobicContact CB-CE3 3.7Å; P75-W89 HydrophobicContact CB-CG 3.74Å; P75-W89 HydrophobicContact CG-CB 4.16Å; P75-W89 HydrophobicContact CG-CD2 4.49Å; P75-W89 HydrophobicContact CG-CG 4.16Å; L77-W89 VanDerWaalsContact C-CE3 3.5Å; L77-W89 CarbonylContact O-C 3.59Å; L77-W89 WeakPolarHBondContact O-CA 3.39Å; R78-W89 HydrophobicContact CB-CD2 4.22Å; R78-W89 HydrophobicContact CB-CE3 3.89Å; R78-W89 HydrophobicContact CB-CH2 3.8Å; R78-W89 HydrophobicContact CB-CZ2 4.15Å; R78-W89 HydrophobicContact CB-CZ3 3.67Å; R78-W89 HydrophobicContact CG-CD2 4.48Å; R78-W89 HydrophobicContact CG-CH2 4.23Å; R78-W89 HydrophobicContact CG-CZ2 4.1Å; R78-W89 HydrophobicContact CG-CZ3 4.49Å; W89-R295 HydrophobicContact CE3-CB 4.26Å; W89-R295 HydrophobicContact CE3-CG 4.43Å; W89-R295 HydrophobicContact CH2-CB 4.21Å; W89-R295 HydrophobicContact CH2-CG 3.63Å; W89-R295 HydrophobicContact CZ3-CB 3.62Å; W89-R295 HydrophobicContact CZ3-CG 3.58Å; W89-L296 WeakPolarHBondContact CZ3-O 3.18Å; W89-L313 HydrophobicContact CH2-CD1 3.62Å; W89-L313 HydrophobicContact CZ2-CD1 3.78Å
90	L	93.2	Very high	78.2	Confident	18 Å²	18	73.7 Å²	73.7	9%	0.094	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128.9	157	-63.1	175.4	0	0	0	107.5	C76 L77 I79 E94 V95 I132	C76-L90 PolarHBondContact N-O 2.83Å; L77-L90 PolarHBondContact N-O 3.36Å; L77-L90 PolarHBondContact O-N 3.14Å; I79-L90 HydrophobicContact CD1-CD1 4.02Å; I79-L90 HydrophobicContact CD1-CD2 3.73Å; I79-L90 HydrophobicContact CD1-CG 3.61Å; I79-L90 HydrophobicContact CG1-CG 4.24Å; L90-E94 VanDerWaalsContact CA-OE2 3.32Å; L90-E94 WeakPolarHBondContact CA-OE2 3.29Å; L90-E94 HydrophobicContact CB-CB 4.34Å; L90-E94 HydrophobicContact CD2-CB 4.12Å; L90-V95 HydrophobicContact CB-CG2 3.59Å; L90-V95 HydrophobicContact CD1-CG2 4.09Å; L90-I132 HydrophobicContact CD1-CD1 3.95Å
91	I	96.7	Very high	78.7	Confident	42 Å²	42	68.2 Å²	68.2	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	160.1	166.9	59.6	163.8	0	0	0	110.5	F73 Y74 N93 E94 V95	F73-I91 HydrophobicContact CD1-CD1 4.2Å; Y74-I91 WeakPolarHBondContact O-CA 3.15Å; Y74-I91 WeakPolarHBondContact O-CB 3.47Å; I91-N93 HydrophobicContact CD1-CB 4Å; I91-N93 HydrophobicContact CG1-CB 4.34Å; I91-N93 PolarHBondContact O-N 2.87Å; I91-N93 VanDerWaalsContact O-N 3.12Å; I91-E94 HydrophobicContact CD1-CG 4.44Å; I91-E94 HydrophobicContact CG1-CB 4.25Å; I91-E94 HydrophobicContact CG1-CG 3.68Å; I91-E94 WeakPolarHBondContact CG1-OE2 3.5Å; I91-E94 PolarHBondContact N-OE2 3.43Å; I91-E94 WeakPolarHBondContact O-CB 3.2Å; I91-E94 PolarHBondContact O-N 2.9Å; I91-V95 PolarHBondContact O-N 3.01Å
92	Y	97.8	Very high	79.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-50.1	-40.3	179.3	-89.5	-90.3	0	0	0	113.2	F64 L68 S71 Y74 C76 E94 V95 D96 I290 G293 A294	F64-Y92 HydrophobicContact CD2-CE1 4.45Å; F64-Y92 AromaticContact CE2-CD1 3.79Å; F64-Y92 HydrophobicContact CE2-CD1 3.79Å; F64-Y92 HydrophobicContact CE2-CE1 4.08Å; F64-Y92 HydrophobicContact CZ-CD1 4.12Å; L68-Y92 HydrophobicContact CB-CD1 4.21Å; S71-Y92 WeakPolarHBondContact O-CD2 3.41Å; Y74-Y92 PolarHBondContact O-N 2.87Å; Y74-Y92 VanDerWaalsContact O-N 3.07Å; C76-Y92 HydrophobicContact CB-CD1 4.21Å; C76-Y92 HydrophobicContact CB-CD2 3.54Å; C76-Y92 HydrophobicContact CB-CE1 4.34Å; C76-Y92 HydrophobicContact CB-CE2 3.66Å; C76-Y92 HydrophobicContact CB-CG 3.8Å; C76-Y92 VanDerWaalsContact SG-CE1 3.59Å; C76-Y92 VanDerWaalsContact SG-CZ 3.57Å; Y92-E94 VanDerWaalsContact C-N 3.28Å; Y92-E94 PolarHBondContact O-N 3.42Å; Y92-V95 PolarHBondContact O-N 3.36Å; Y92-D96 VanDerWaalsContact O-CB 3.29Å; Y92-D96 WeakPolarHBondContact O-CB 3.49Å; Y92-D96 PolarHBondContact O-N 2.94Å; Y92-I290 HydrophobicContact CE1-CG2 4.38Å; Y92-I290 WeakPolarHBondContact OH-CA 3.34Å; Y92-I290 PolarHBondContact OH-O 2.85Å; Y92-I290 VanDerWaalsContact OH-O 3.1Å; Y92-G293 WeakPolarHBondContact OH-CA 3.4Å; Y92-A294 WeakPolarHBondContact CE2-O 3.41Å; Y92-A294 PolarHBondContact OH-N 2.75Å; Y92-A294 PolarHBondContact OH-O 3.4Å
93	N	95	Very high	80.9	Confident	44 Å²	44	58.6 Å²	58.6	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-67.6	-18.9	176.9	-174.6	82.5	0	0	0	114.9	R72 I91 K97	R72-N93 HydrophobicContact CG-CB 4Å; R72-N93 VanDerWaalsContact O-CB 3.26Å; R72-N93 WeakPolarHBondContact O-CB 3.29Å; R72-N93 PolarHBondContact O-N 2.89Å; I91-N93 HydrophobicContact CD1-CB 4Å; I91-N93 HydrophobicContact CG1-CB 4.34Å; I91-N93 PolarHBondContact O-N 2.87Å; I91-N93 VanDerWaalsContact O-N 3.12Å; N93-K97 WeakPolarHBondContact O-CD 3.26Å; N93-K97 VanDerWaalsContact O-CG 3.27Å; N93-K97 WeakPolarHBondContact O-CG 3.23Å
94	E	92.9	Very high	81.9	Confident	85 Å²	85	54.6 Å²	54.6	40%	0.397	26%	0.257	S	S	.	.	H	α-helix	trans	-89.6	-36.4	172.6	-66.6	170.2	140.3	0	0	111.1	L90 I91 Y92 K97 K98	L90-E94 VanDerWaalsContact CA-OE2 3.32Å; L90-E94 WeakPolarHBondContact CA-OE2 3.29Å; L90-E94 HydrophobicContact CB-CB 4.34Å; L90-E94 HydrophobicContact CD2-CB 4.12Å; I91-E94 HydrophobicContact CD1-CG 4.44Å; I91-E94 HydrophobicContact CG1-CB 4.25Å; I91-E94 HydrophobicContact CG1-CG 3.68Å; I91-E94 WeakPolarHBondContact CG1-OE2 3.5Å; I91-E94 PolarHBondContact N-OE2 3.43Å; I91-E94 WeakPolarHBondContact O-CB 3.2Å; I91-E94 PolarHBondContact O-N 2.9Å; Y92-E94 VanDerWaalsContact C-N 3.28Å; Y92-E94 PolarHBondContact O-N 3.42Å; E94-K97 PolarHBondContact O-N 2.87Å; E94-K98 PolarHBondContact O-N 3.25Å; E94-K98 VanDerWaalsContact O-N 3.07Å
95	V	94.6	Very high	82.8	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-44.2	171	178.6	0	0	0	0	110.3	F64 C76 L77 L90 I91 Y92 K97 K98 I99 I132	F64-V95 HydrophobicContact CD2-CG1 4.49Å; F64-V95 HydrophobicContact CE2-CB 4.13Å; F64-V95 HydrophobicContact CE2-CG1 3.47Å; F64-V95 VanDerWaalsContact CE2-CG1 3.47Å; F64-V95 HydrophobicContact CZ-CB 4.02Å; F64-V95 HydrophobicContact CZ-CG1 3.7Å; C76-V95 HydrophobicContact CB-CG2 3.79Å; L77-V95 HydrophobicContact CB-CG2 4.34Å; L77-V95 HydrophobicContact CD1-CG1 3.9Å; L77-V95 HydrophobicContact CD1-CG2 3.8Å; L77-V95 HydrophobicContact CG-CG2 3.88Å; L90-V95 HydrophobicContact CB-CG2 3.59Å; L90-V95 HydrophobicContact CD1-CG2 4.09Å; I91-V95 PolarHBondContact O-N 3.01Å; Y92-V95 PolarHBondContact O-N 3.36Å; V95-K97 PolarHBondContact O-N 3.19Å; V95-K98 CarbonylContact O-C 3.43Å; V95-K98 PolarHBondContact O-N 2.95Å; V95-I99 HydrophobicContact CG1-CD1 3.9Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.25Å; V95-I132 HydrophobicContact CG1-CG1 4.15Å
96	D	91.7	Very high	83.9	Confident	21 Å²	21	41 Å²	41	11%	0.112	19%	0.194	C	C	.	.	H	α-helix	trans	-57.3	-45.7	174.4	-176.8	60.4	0	0	0	112.2	F64 L68 Y92 K98 I99 K100	F64-D96 HydrophobicContact CE1-CB 3.81Å; F64-D96 HydrophobicContact CZ-CB 4.05Å; L68-D96 HydrophobicContact CD1-CB 3.91Å; L68-D96 HydrophobicContact CD2-CB 3.97Å; L68-D96 VanDerWaalsContact CD2-OD1 3.31Å; L68-D96 WeakPolarHBondContact CD2-OD1 3.06Å; Y92-D96 VanDerWaalsContact O-CB 3.29Å; Y92-D96 WeakPolarHBondContact O-CB 3.49Å; Y92-D96 PolarHBondContact O-N 2.94Å; D96-K98 VanDerWaalsContact C-N 3.25Å; D96-K98 PolarHBondContact O-N 3.35Å; D96-I99 PolarHBondContact O-N 3.38Å; D96-K100 WeakPolarHBondContact O-CB 3.46Å; D96-K100 WeakPolarHBondContact O-CG 3.17Å; D96-K100 PolarHBondContact O-N 3.15Å; D96-K100 WeakPolarHBondContact OD1-CE 3.43Å; D96-K100 IonicContact OD1-NZ 2.7Å; D96-K100 PolarHBondContact OD1-NZ 3.13Å; D96-K100 IonicContact OD2-NZ 2.85Å; D96-K100 PolarHBondContact OD2-NZ 2.86Å
97	K	86.6	Confident	84.3	Confident	137 Å²	137	36.8 Å²	36.8	60%	0.596	18%	0.18	S	C	*	.	H	α-helix	trans	-65.3	-24.2	174.9	-76.8	176	178.9	-170	0	113.9	N93 E94 V95 K100 A101	N93-K97 WeakPolarHBondContact O-CD 3.26Å; N93-K97 VanDerWaalsContact O-CG 3.27Å; N93-K97 WeakPolarHBondContact O-CG 3.23Å; E94-K97 PolarHBondContact O-N 2.87Å; V95-K97 PolarHBondContact O-N 3.19Å; K97-K100 CarbonylContact O-C 3.21Å; K97-A101 PolarHBondContact O-N 2.92Å
98	K	86.1	Confident	84	Confident	58 Å²	58	39.5 Å²	39.5	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-90.3	-29.6	175.6	-75.4	-171	163.4	-70.2	0	112.9	E94 V95 D96 A101 I102 I132 E216	E94-K98 PolarHBondContact O-N 3.25Å; E94-K98 VanDerWaalsContact O-N 3.07Å; V95-K98 CarbonylContact O-C 3.43Å; V95-K98 PolarHBondContact O-N 2.95Å; D96-K98 VanDerWaalsContact C-N 3.25Å; D96-K98 PolarHBondContact O-N 3.35Å; K98-A101 CarbonylContact O-C 3.24Å; K98-A101 WeakPolarHBondContact O-CA 3.47Å; K98-A101 VanDerWaalsContact O-CB 3.24Å; K98-A101 WeakPolarHBondContact O-CB 3.38Å; K98-A101 PolarHBondContact O-N 2.93Å; K98-I102 VanDerWaalsContact O-CD1 3.31Å; K98-I102 WeakPolarHBondContact O-CD1 3.36Å; K98-I102 WeakPolarHBondContact O-CG1 3.41Å; K98-I132 VanDerWaalsContact C-CG2 3.45Å; K98-I132 HydrophobicContact CB-CD1 4.27Å; K98-I132 HydrophobicContact CB-CG2 3.65Å; K98-I132 HydrophobicContact CD-CD1 4.27Å; K98-E216 IonicContact NZ-OE1 2.73Å; K98-E216 PolarHBondContact NZ-OE1 3.23Å
99	I	88.3	Confident	83.1	Confident	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-51.4	165.5	-72.9	164.1	0	0	0	108.6	F64 V95 D96 A101 I132 H135 A139 Y140	F64-I99 HydrophobicContact CD1-CD1 3.62Å; F64-I99 HydrophobicContact CD2-CD1 3.8Å; F64-I99 HydrophobicContact CE1-CD1 3.54Å; F64-I99 HydrophobicContact CE2-CD1 3.74Å; F64-I99 HydrophobicContact CG-CD1 3.76Å; F64-I99 HydrophobicContact CZ-CD1 3.62Å; V95-I99 HydrophobicContact CG1-CD1 3.9Å; V95-I99 HydrophobicContact CG1-CG1 4.49Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.25Å; D96-I99 PolarHBondContact O-N 3.38Å; I99-A101 CarbonylContact O-C 3.36Å; I99-A101 VanDerWaalsContact O-C 3.3Å; I99-A101 PolarHBondContact O-N 2.91Å; I99-I132 HydrophobicContact CG1-CG2 3.83Å; I99-H135 HydrophobicContact CD1-CB 3.6Å; I99-H135 HydrophobicContact CG1-CB 4.08Å; I99-A139 HydrophobicContact CG2-CB 4.06Å; I99-Y140 HydrophobicContact CG2-CE2 3.73Å; I99-Y140 WeakPolarHBondContact O-CE2 3.13Å
100	K	81.7	Confident	82.3	Confident	85 Å²	85	35.8 Å²	35.8	37%	0.37	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	3.8	172.2	-65.2	162	174.3	151.5	0	114.6	D96 K97 Y140 F218	D96-K100 WeakPolarHBondContact O-CB 3.46Å; D96-K100 WeakPolarHBondContact O-CG 3.17Å; D96-K100 PolarHBondContact O-N 3.15Å; D96-K100 WeakPolarHBondContact OD1-CE 3.43Å; D96-K100 IonicContact OD1-NZ 2.7Å; D96-K100 PolarHBondContact OD1-NZ 3.13Å; D96-K100 IonicContact OD2-NZ 2.85Å; D96-K100 PolarHBondContact OD2-NZ 2.86Å; K97-K100 CarbonylContact O-C 3.21Å; K100-Y140 WeakPolarHBondContact CG-OH 3.36Å; K100-F218 CarbonylContact C-O 3.53Å; K100-F218 WeakPolarHBondContact CA-O 3.27Å; K100-F218 WeakPolarHBondContact O-CA 3.3Å; K100-F218 PolarHBondContact O-N 2.75Å
101	A	73.7	Confident	81.1	Confident	13 Å²	13	45 Å²	45	11%	0.107	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-137	143.3	0	0	0	0	0	105.5	K97 K98 I99 G103 E216 D217 F218	K97-A101 PolarHBondContact O-N 2.92Å; K98-A101 CarbonylContact O-C 3.24Å; K98-A101 WeakPolarHBondContact O-CA 3.47Å; K98-A101 VanDerWaalsContact O-CB 3.24Å; K98-A101 WeakPolarHBondContact O-CB 3.38Å; K98-A101 PolarHBondContact O-N 2.93Å; I99-A101 CarbonylContact O-C 3.36Å; I99-A101 VanDerWaalsContact O-C 3.3Å; I99-A101 PolarHBondContact O-N 2.91Å; A101-G103 VanDerWaalsContact C-N 3.27Å; A101-G103 PolarHBondContact O-N 3.21Å; A101-E216 HydrophobicContact CB-CB 4.28Å; A101-D217 VanDerWaalsContact C-N 3.3Å; A101-D217 CarbonylContact C-O 3.58Å; A101-D217 CarbonylContact O-C 3.4Å; A101-F218 CarbonylContact O-C 3.49Å; A101-F218 PolarHBondContact O-N 2.95Å; A101-F218 VanDerWaalsContact O-N 3.07Å
102	I	78.7	Confident	79.6	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	30.3	-51.9	173.7	-49	164.1	0	0	0	121.9	K98 A105 L106 I132 M133 A136 F215 D217	K98-I102 VanDerWaalsContact O-CD1 3.31Å; K98-I102 WeakPolarHBondContact O-CD1 3.36Å; K98-I102 WeakPolarHBondContact O-CG1 3.41Å; I102-A105 WeakPolarHBondContact O-CA 3.3Å; I102-A105 WeakPolarHBondContact O-CB 3.31Å; I102-A105 PolarHBondContact O-N 3.18Å; I102-L106 HydrophobicContact CG2-CD1 4.16Å; I102-L106 HydrophobicContact CG2-CG 4.26Å; I102-L106 PolarHBondContact O-N 3.17Å; I102-I132 HydrophobicContact CD1-CB 4.21Å; I102-I132 HydrophobicContact CD1-CG2 3.4Å; I102-I132 VanDerWaalsContact CD1-CG2 3.4Å; I102-M133 HydrophobicContact CG2-CE 3.69Å; I102-M133 HydrophobicContact CG2-SD 3.61Å; I102-A136 HydrophobicContact CB-CB 3.75Å; I102-A136 HydrophobicContact CD1-CB 3.92Å; I102-A136 HydrophobicContact CG1-CB 4.49Å; I102-A136 HydrophobicContact CG2-CB 3.51Å; I102-F215 HydrophobicContact CD1-CD1 4.15Å; I102-F215 HydrophobicContact CD1-CD2 4.16Å; I102-F215 HydrophobicContact CD1-CE1 3.56Å; I102-F215 HydrophobicContact CD1-CE2 3.57Å; I102-F215 HydrophobicContact CD1-CG 4.42Å; I102-F215 HydrophobicContact CD1-CZ 3.22Å; I102-F215 HydrophobicContact CG1-CD1 4.29Å; I102-F215 HydrophobicContact CG1-CD2 4.12Å; I102-F215 HydrophobicContact CG1-CE1 4.2Å; I102-F215 HydrophobicContact CG1-CE2 4.01Å; I102-F215 HydrophobicContact CG1-CG 4.25Å; I102-F215 HydrophobicContact CG1-CZ 4.05Å; I102-F215 VanDerWaalsContact CG1-O 3.27Å; I102-F215 WeakPolarHBondContact CG1-O 3.48Å; I102-D217 CarbonylContact C-O 3.49Å; I102-D217 WeakPolarHBondContact CA-O 3.33Å; I102-D217 PolarHBondContact N-O 3.23Å
103	G	77.1	Confident	77.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-53.8	-67.4	-165.5	0	0	0	0	0	119.3	A101 A105 L106 V107 Y140 D217 F218	A101-G103 VanDerWaalsContact C-N 3.27Å; A101-G103 PolarHBondContact O-N 3.21Å; G103-A105 PolarHBondContact O-N 2.86Å; G103-L106 WeakPolarHBondContact O-CA 3.34Å; G103-L106 VanDerWaalsContact O-CB 3.28Å; G103-L106 WeakPolarHBondContact O-CB 3.45Å; G103-L106 PolarHBondContact O-N 3.34Å; G103-V107 PolarHBondContact O-N 2.91Å; G103-Y140 VanDerWaalsContact CA-CE2 3.48Å; G103-D217 PolarHBondContact N-O 3.31Å; G103-F218 WeakPolarHBondContact CA-O 3.31Å; G103-F218 PolarHBondContact N-O 3.16Å
104	T	64.4	Low	75.9	Confident	16 Å²	16	64.2 Å²	64.2	10%	0.098	28%	0.28	C	S	.	.	H	α-helix	trans	-76.6	1.7	167.9	-14.9	0	0	0	0	111.1	L106 V107 K108 D217 F218 M219	T104-L106 VanDerWaalsContact C-N 3.27Å; T104-V107 HydrophobicContact CG2-CB 3.43Å; T104-V107 VanDerWaalsContact CG2-CB 3.43Å; T104-V107 HydrophobicContact CG2-CG1 3.78Å; T104-K108 HydrophobicContact CG2-CD 4.49Å; T104-K108 HydrophobicContact CG2-CG 3.64Å; T104-K108 WeakPolarHBondContact O-CA 3.38Å; T104-K108 WeakPolarHBondContact O-CB 3.45Å; T104-K108 WeakPolarHBondContact O-CG 3.49Å; T104-K108 PolarHBondContact O-N 2.84Å; T104-D217 CarbonylContact C-O 3.59Å; T104-D217 PolarHBondContact N-O 3.02Å; T104-F218 WeakPolarHBondContact OG1-CB 3.49Å; T104-M219 WeakPolarHBondContact CB-O 3.5Å; T104-M219 VanDerWaalsContact N-N 3.17Å; T104-M219 PolarHBondContact N-O 2.98Å; T104-M219 PolarHBondContact OG1-N 2.86Å; T104-M219 PolarHBondContact OG1-O 2.89Å; T104-M219 PolarHBondContact OG1-SD 3.4Å; T104-M219 VanDerWaalsContact OG1-SD 3.34Å
105	A	68.1	Low	74	Confident	19 Å²	19	67.8 Å²	67.8	16%	0.157	30%	0.302	C	S	.	.	H	α-helix	trans	-63.5	-48.8	161.5	0	0	0	0	0	106.1	I102 G103 T109 D217	I102-A105 WeakPolarHBondContact O-CA 3.3Å; I102-A105 WeakPolarHBondContact O-CB 3.31Å; I102-A105 PolarHBondContact O-N 3.18Å; G103-A105 PolarHBondContact O-N 2.86Å; A105-T109 VanDerWaalsContact O-CB 3.3Å; A105-T109 WeakPolarHBondContact O-CB 3.45Å; A105-T109 WeakPolarHBondContact O-CG2 3.27Å; A105-T109 PolarHBondContact O-N 2.92Å; A105-T109 PolarHBondContact O-OG1 3.06Å; A105-D217 HydrophobicContact CB-CB 3.58Å; A105-D217 WeakPolarHBondContact CB-O 3.36Å; A105-D217 PolarHBondContact N-O 3.42Å
106	L	79.4	Confident	72.5	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-59.5	166.6	-49.3	171.6	0	0	0	110.7	I102 G103 T104 K108 T109 V110 V120 M133 Y142 I191	I102-L106 HydrophobicContact CG2-CD1 4.16Å; I102-L106 HydrophobicContact CG2-CG 4.26Å; I102-L106 PolarHBondContact O-N 3.17Å; G103-L106 WeakPolarHBondContact O-CA 3.34Å; G103-L106 VanDerWaalsContact O-CB 3.28Å; G103-L106 WeakPolarHBondContact O-CB 3.45Å; G103-L106 PolarHBondContact O-N 3.34Å; T104-L106 VanDerWaalsContact C-N 3.27Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.44Å; L106-K108 VanDerWaalsContact O-N 3.12Å; L106-T109 CarbonylContact O-C 3.35Å; L106-T109 PolarHBondContact O-N 3.25Å; L106-T109 VanDerWaalsContact O-N 3.12Å; L106-V110 HydrophobicContact CB-CB 4.49Å; L106-V110 HydrophobicContact CB-CG2 4.43Å; L106-V110 HydrophobicContact CD2-CG2 3.98Å; L106-V110 CarbonylContact O-C 3.53Å; L106-V110 VanDerWaalsContact O-CA 3.3Å; L106-V110 WeakPolarHBondContact O-CA 3.3Å; L106-V110 WeakPolarHBondContact O-CB 3.33Å; L106-V110 PolarHBondContact O-N 2.95Å; L106-V110 VanDerWaalsContact O-O 3.12Å; L106-V120 HydrophobicContact CD1-CG2 4.12Å; L106-V120 HydrophobicContact CD2-CG1 4.47Å; L106-V120 HydrophobicContact CD2-CG2 3.88Å; L106-M133 HydrophobicContact CD1-SD 4.18Å; L106-Y142 HydrophobicContact CB-CD2 3.84Å; L106-Y142 HydrophobicContact CB-CE1 4.11Å; L106-Y142 HydrophobicContact CB-CE2 3.36Å; L106-Y142 HydrophobicContact CB-CG 4.42Å; L106-Y142 HydrophobicContact CD1-CD2 3.74Å; L106-Y142 HydrophobicContact CD1-CE2 4.16Å; L106-Y142 HydrophobicContact CD1-CG 4.09Å; L106-Y142 HydrophobicContact CG-CD2 4.44Å; L106-Y142 HydrophobicContact CG-CE2 4.41Å; L106-Y142 PolarHBondContact O-OH 3.04Å; L106-I191 HydrophobicContact CD2-CD1 4.01Å
107	V	72	Confident	71.8	Confident	48 Å²	48	73.2 Å²	73.2	29%	0.291	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-20.5	-175	-178.5	0	0	0	0	115	G103 T104 Y142	G103-V107 PolarHBondContact O-N 2.91Å; T104-V107 HydrophobicContact CG2-CB 3.43Å; T104-V107 VanDerWaalsContact CG2-CB 3.43Å; T104-V107 HydrophobicContact CG2-CG1 3.78Å; V107-Y142 WeakPolarHBondContact CA-OH 3.48Å; V107-Y142 HydrophobicContact CG2-CE2 3.59Å; V107-Y142 PolarHBondContact N-OH 2.89Å
108	K	67.5	Low	71.6	Confident	129 Å²	129	67.8 Å²	67.8	56%	0.561	31%	0.311	S	S	*	.	H	α-helix	trans	-89.6	-30.1	171.7	-69.2	-177.6	-167.8	171.5	0	113.8	T104 L106 F218	T104-K108 HydrophobicContact CG2-CD 4.49Å; T104-K108 HydrophobicContact CG2-CG 3.64Å; T104-K108 WeakPolarHBondContact O-CA 3.38Å; T104-K108 WeakPolarHBondContact O-CB 3.45Å; T104-K108 WeakPolarHBondContact O-CG 3.49Å; T104-K108 PolarHBondContact O-N 2.84Å; L106-K108 VanDerWaalsContact C-N 3.29Å; L106-K108 PolarHBondContact O-N 3.44Å; L106-K108 VanDerWaalsContact O-N 3.12Å; K108-F218 HydrophobicContact CD-CD2 3.84Å; K108-F218 HydrophobicContact CD-CE2 3.51Å; K108-F218 HydrophobicContact CD-CZ 4.18Å
109	T	67.5	Low	71.8	Confident	25 Å²	25	65.2 Å²	65.2	15%	0.153	30%	0.3	C	S	.	.	H	α-helix	trans	-101.7	-62.7	-176.4	65.5	0	0	0	0	110.8	A105 L106 R111 Y189 Y213	A105-T109 VanDerWaalsContact O-CB 3.3Å; A105-T109 WeakPolarHBondContact O-CB 3.45Å; A105-T109 WeakPolarHBondContact O-CG2 3.27Å; A105-T109 PolarHBondContact O-N 2.92Å; A105-T109 PolarHBondContact O-OG1 3.06Å; L106-T109 CarbonylContact O-C 3.35Å; L106-T109 PolarHBondContact O-N 3.25Å; L106-T109 VanDerWaalsContact O-N 3.12Å; T109-R111 VanDerWaalsContact C-N 3.35Å; T109-R111 PolarHBondContact O-N 3.11Å; T109-Y189 VanDerWaalsContact O-CZ 3.27Å; T109-Y189 PolarHBondContact O-OH 2.85Å; T109-Y189 VanDerWaalsContact O-OH 3.1Å; T109-Y213 HydrophobicContact CG2-CE1 4.16Å; T109-Y213 HydrophobicContact CG2-CE2 3.87Å; T109-Y213 WeakPolarHBondContact CG2-OH 3.27Å
110	V	75.4	Confident	71.9	Confident	4 Å²	4	65 Å²	65	2%	0.024	30%	0.299	C	S	.	.	S	Bend	trans	-74.4	80.3	176.6	-164.6	0	0	0	0	110.2	L106 Q112 Y142 C167 Y189	L106-V110 HydrophobicContact CB-CB 4.49Å; L106-V110 HydrophobicContact CB-CG2 4.43Å; L106-V110 HydrophobicContact CD2-CG2 3.98Å; L106-V110 CarbonylContact O-C 3.53Å; L106-V110 VanDerWaalsContact O-CA 3.3Å; L106-V110 WeakPolarHBondContact O-CA 3.3Å; L106-V110 WeakPolarHBondContact O-CB 3.33Å; L106-V110 PolarHBondContact O-N 2.95Å; L106-V110 VanDerWaalsContact O-O 3.12Å; V110-Q112 PolarHBondContact O-N 3.48Å; V110-Y142 HydrophobicContact CB-CE1 3.93Å; V110-Y142 HydrophobicContact CG1-CD1 4.41Å; V110-Y142 HydrophobicContact CG1-CE1 3.76Å; V110-Y142 PolarHBondContact O-OH 3.24Å; V110-C167 HydrophobicContact CB-CB 4.36Å; V110-C167 HydrophobicContact CG1-CB 3.87Å; V110-C167 HydrophobicContact CG2-CB 3.49Å; V110-C167 VanDerWaalsContact CG2-CB 3.49Å; V110-C167 VanDerWaalsContact CG2-SG 3.56Å; V110-Y189 HydrophobicContact CB-CD2 4.43Å; V110-Y189 HydrophobicContact CG2-CD2 3.91Å; V110-Y189 HydrophobicContact CG2-CG 4.23Å
111	R	67.4	Low	72.5	Confident	211 Å²	211	61 Å²	61	80%	0.796	28%	0.282	S	S	*	.			trans	-45.1	102.8	-176	-69.7	-176.2	175	-171.8	-0.3	113.5	T109 R113	T109-R111 VanDerWaalsContact C-N 3.35Å; T109-R111 PolarHBondContact O-N 3.11Å; R111-R113 PolarHBondContact O-N 3.25Å
112	Q	66.3	Low	73.4	Confident	82 Å²	82	60.5 Å²	60.5	38%	0.383	28%	0.277	S	S	.	.			trans	-65.3	133.9	174.8	-160.6	-171.6	45.6	0	0	110.4	V110 N118 G141	V110-Q112 PolarHBondContact O-N 3.48Å; Q112-N118 WeakPolarHBondContact CA-OD1 3.43Å; Q112-N118 HydrophobicContact CG-CB 4.43Å; Q112-N118 WeakPolarHBondContact CG-ND2 3.46Å; Q112-G141 PolarHBondContact NE2-O 2.9Å
113	R	61.1	Low	74.1	Confident	190 Å²	190	60.9 Å²	60.9	72%	0.717	28%	0.279	S	S	*	.			trans	-109.1	131.7	163.8	-70.7	179.7	-170.9	178.2	5.2	108.5	R111 A116 N118	R111-R113 PolarHBondContact O-N 3.25Å; R113-A116 HydrophobicContact CB-CB 3.44Å; R113-A116 VanDerWaalsContact CB-CB 3.44Å; R113-A116 WeakPolarHBondContact O-CB 3.45Å; R113-A116 PolarHBondContact O-N 2.69Å; R113-N118 PolarHBondContact N-OD1 3.22Å; R113-N118 PolarHBondContact O-ND2 2.81Å; R113-N118 PolarHBondContact O-OD1 3.08Å
114	R	54.2	Low	74.6	Confident	218 Å²	218	61.4 Å²	61.4	82%	0.823	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	137.5	175.5	-173.3	173	-177.4	174.9	3	109.7	A116	R114-A116 VanDerWaalsContact C-N 3.34Å; R114-A116 PolarHBondContact O-N 2.71Å
115	N	53.4	Low	75.7	Confident	161 Å²	161	63.3 Å²	63.3	86%	0.861	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	39.3	-175.3	-54.5	2.2	0	0	0	113.6
116	A	62.2	Low	76.9	Confident	44 Å²	44	63.9 Å²	63.9	36%	0.364	30%	0.297	S	S	.	.	S	Bend	trans	-136	170	-176.2	0	0	0	0	0	113.8	R113 R114 N118	R113-A116 HydrophobicContact CB-CB 3.44Å; R113-A116 VanDerWaalsContact CB-CB 3.44Å; R113-A116 WeakPolarHBondContact O-CB 3.45Å; R113-A116 PolarHBondContact O-N 2.69Å; R114-A116 VanDerWaalsContact C-N 3.34Å; R114-A116 PolarHBondContact O-N 2.71Å; A116-N118 VanDerWaalsContact C-N 3.26Å; A116-N118 PolarHBondContact O-N 3.4Å; A116-N118 PolarHBondContact O-ND2 2.9Å
117	E	77.4	Confident	77.4	Confident	92 Å²	92	64.1 Å²	64.1	43%	0.43	30%	0.299	S	S	.	.			trans	-73.4	65.8	-178.5	-67.5	179.9	176.9	0	0	112.3	F119 Y476 K477	E117-F119 VanDerWaalsContact C-N 3.28Å; E117-F119 HydrophobicContact CB-CD2 4.09Å; E117-F119 HydrophobicContact CB-CE2 3.55Å; E117-F119 HydrophobicContact CB-CZ 3.99Å; E117-F119 HydrophobicContact CG-CE2 4.1Å; E117-F119 HydrophobicContact CG-CZ 4.21Å; E117-F119 PolarHBondContact O-N 3.39Å; E117-Y476 HydrophobicContact CG-CE2 4.28Å; E117-Y476 WeakPolarHBondContact OE1-CE2 3.46Å; E117-Y476 PolarHBondContact OE1-OH 3.18Å; E117-Y476 PolarHBondContact OE2-OH 2.79Å; E117-K477 WeakPolarHBondContact OE1-CE 3.29Å; E117-K477 IonicContact OE1-NZ 2.78Å; E117-K477 VanDerWaalsContact OE2-CE 3.3Å; E117-K477 WeakPolarHBondContact OE2-CE 3.34Å; E117-K477 IonicContact OE2-NZ 3.55Å; E117-K477 PolarHBondContact OE2-NZ 2.63Å
118	N	81.9	Confident	78.4	Confident	23 Å²	23	62.4 Å²	62.4	12%	0.123	29%	0.289	C	S	.	.			trans	-78.1	69.8	-178	-58	-54.4	0	0	0	111.6	Q112 R113 A116 Y142 T143	Q112-N118 WeakPolarHBondContact CA-OD1 3.43Å; Q112-N118 HydrophobicContact CG-CB 4.43Å; Q112-N118 WeakPolarHBondContact CG-ND2 3.46Å; R113-N118 PolarHBondContact N-OD1 3.22Å; R113-N118 PolarHBondContact O-ND2 2.81Å; R113-N118 PolarHBondContact O-OD1 3.08Å; A116-N118 VanDerWaalsContact C-N 3.26Å; A116-N118 PolarHBondContact O-N 3.4Å; A116-N118 PolarHBondContact O-ND2 2.9Å; N118-Y142 HydrophobicContact CB-CD1 3.92Å; N118-Y142 HydrophobicContact CB-CE1 4.2Å; N118-Y142 WeakPolarHBondContact O-CA 3.23Å; N118-Y142 WeakPolarHBondContact O-CD1 3.12Å; N118-T143 PolarHBondContact O-N 3.37Å
119	F	89.8	Confident	79.4	Confident	3 Å²	3	58.3 Å²	58.3	1%	0.013	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	138.4	-174.9	-63.2	-59.5	0	0	0	114.6	E117 T143 V145 T163 V165 L226 V229 Y476	E117-F119 VanDerWaalsContact C-N 3.28Å; E117-F119 HydrophobicContact CB-CD2 4.09Å; E117-F119 HydrophobicContact CB-CE2 3.55Å; E117-F119 HydrophobicContact CB-CZ 3.99Å; E117-F119 HydrophobicContact CG-CE2 4.1Å; E117-F119 HydrophobicContact CG-CZ 4.21Å; E117-F119 PolarHBondContact O-N 3.39Å; F119-T143 CarbonylContact C-O 3.55Å; F119-T143 VanDerWaalsContact CA-O 3.3Å; F119-T143 WeakPolarHBondContact CA-O 3.39Å; F119-T143 HydrophobicContact CD1-CG2 3.69Å; F119-T143 HydrophobicContact CE1-CG2 3.61Å; F119-V145 HydrophobicContact CB-CG2 3.93Å; F119-V145 HydrophobicContact CD1-CG2 3.36Å; F119-V145 HydrophobicContact CE1-CG2 4.07Å; F119-V145 HydrophobicContact CG-CG2 3.8Å; F119-T163 HydrophobicContact CD2-CG2 4.49Å; F119-T163 WeakPolarHBondContact CD2-O 3.25Å; F119-T163 HydrophobicContact CE2-CG2 4.29Å; F119-T163 VanDerWaalsContact CE2-O 3.3Å; F119-T163 WeakPolarHBondContact CE2-O 3.44Å; F119-T163 HydrophobicContact CZ-CG2 4.43Å; F119-V165 HydrophobicContact CB-CB 3.96Å; F119-V165 HydrophobicContact CB-CG2 3.75Å; F119-L226 HydrophobicContact CE1-CD2 4.47Å; F119-V229 HydrophobicContact CE1-CB 4.42Å; F119-V229 HydrophobicContact CE1-CG2 3.67Å; F119-V229 HydrophobicContact CZ-CG2 4.24Å; F119-Y476 HydrophobicContact CE2-CE1 4.41Å; F119-Y476 HydrophobicContact CE2-CE2 4.26Å; F119-Y476 AromaticContact CE2-CZ 3.73Å; F119-Y476 WeakPolarHBondContact CE2-OH 3.43Å; F119-Y476 HydrophobicContact CZ-CD2 4.41Å; F119-Y476 HydrophobicContact CZ-CE1 4.13Å; F119-Y476 AromaticContact CZ-CE2 3.66Å; F119-Y476 HydrophobicContact CZ-CE2 3.66Å; F119-Y476 AromaticContact CZ-CZ 3.48Å; F119-Y476 VanDerWaalsContact CZ-CZ 3.48Å; F119-Y476 WeakPolarHBondContact CZ-OH 3.28Å
120	V	90.7	Very high	80.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.6	160.7	177.7	0	0	0	0	108.4	L106 M133 Y142 T143 I144 V145 C167	L106-V120 HydrophobicContact CD1-CG2 4.12Å; L106-V120 HydrophobicContact CD2-CG1 4.47Å; L106-V120 HydrophobicContact CD2-CG2 3.88Å; V120-M133 HydrophobicContact CG1-SD 4.14Å; V120-Y142 HydrophobicContact CG2-CD1 3.63Å; V120-Y142 HydrophobicContact CG2-CE1 4.48Å; V120-Y142 HydrophobicContact CG2-CG 3.89Å; V120-T143 PolarHBondContact N-O 2.8Å; V120-I144 CarbonylContact O-C 3.52Å; V120-I144 VanDerWaalsContact O-CA 3.29Å; V120-I144 WeakPolarHBondContact O-CA 3.37Å; V120-V145 PolarHBondContact O-N 3.15Å; V120-C167 HydrophobicContact CG2-CB 4.31Å
121	G	93.9	Very high	81.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	147.9	174.3	0	0	0	0	0	111.1	V145 C167 M168 L169	G121-V145 WeakPolarHBondContact CA-O 3.43Å; G121-C167 PolarHBondContact N-O 3.11Å; G121-M168 VanDerWaalsContact CA-SD 3.51Å; G121-L169 PolarHBondContact O-N 3.09Å
122	I	93.9	Very high	82.7	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.2	170.1	-51.3	176	0	0	0	109	W130 M133 I144 V145 I147 L169	I122-W130 HydrophobicContact CG2-CG 3.99Å; I122-M133 HydrophobicContact CD1-CB 4.2Å; I122-M133 HydrophobicContact CD1-CG 3.7Å; I122-M133 HydrophobicContact CG1-CG 4.05Å; I122-I144 HydrophobicContact CD1-CB 4.23Å; I122-I144 HydrophobicContact CD1-CD1 4.47Å; I122-I144 HydrophobicContact CD1-CG2 3.96Å; I122-V145 PolarHBondContact N-O 3.08Å; I122-I147 PolarHBondContact O-N 3.33Å; I122-L169 HydrophobicContact CG1-CB 4.38Å; I122-L169 HydrophobicContact CG2-CB 4.28Å; I122-L169 HydrophobicContact CG2-CD2 4.08Å
123	Y	92.2	Very high	83.9	Confident	9 Å²	9	43.3 Å²	43.3	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	105.2	-174.4	-176	-131.8	0	0	0	111.2	I147 L169 C170 Y171 E175 H178	Y123-I147 HydrophobicContact CD2-CB 3.77Å; Y123-I147 HydrophobicContact CD2-CG2 3.56Å; Y123-I147 HydrophobicContact CE2-CG2 3.9Å; Y123-I147 HydrophobicContact CG-CB 4.4Å; Y123-I147 HydrophobicContact CG-CG2 4.43Å; Y123-L169 PolarHBondContact N-O 2.98Å; Y123-C170 WeakPolarHBondContact O-CA 3.41Å; Y123-Y171 PolarHBondContact O-N 2.93Å; Y123-E175 HydrophobicContact CD1-CB 3.72Å; Y123-E175 HydrophobicContact CD1-CG 4.16Å; Y123-E175 HydrophobicContact CE1-CB 3.84Å; Y123-E175 HydrophobicContact CE1-CG 4.1Å; Y123-H178 AromaticContact CZ-ND1 3.86Å; Y123-H178 PolarHBondContact OH-CE1 3.39Å; Y123-H178 PolarHBondContact OH-ND1 3.35Å
124	G	88.4	Confident	85.4	Confident	11 Å²	11	34.3 Å²	34.3	11%	0.113	17%	0.174	C	C	.	.	S	Bend	trans	160.8	179.8	-179.4	0	0	0	0	0	114.3
125	P	87.5	Confident	87.2	Confident	56 Å²	56	24 Å²	24	36%	0.364	14%	0.136	S	C	.	.	S	Bend	trans	-74.2	166.2	175.6	32.2	-37.1	0	0	0	113.3	S127 Y171	P125-S127 PolarHBondContact O-N 3.08Å; P125-S127 PolarHBondContact O-OG 3.45Å; P125-Y171 HydrophobicContact CG-CD1 3.8Å; P125-Y171 HydrophobicContact CG-CD2 4.32Å; P125-Y171 HydrophobicContact CG-CE1 4.09Å; P125-Y171 HydrophobicContact CG-CG 3.92Å
126	N	92.1	Very high	88.9	Confident	31 Å²	31	16.3 Å²	16.3	17%	0.166	10%	0.095	C	C	.	.	S	Bend	trans	-58.2	124.3	174.9	-62	24.3	0	0	0	111	S273 I275 P276 L277 F298	N126-S273 PolarHBondContact ND2-OG 3.23Å; N126-I275 PolarHBondContact ND2-O 3.07Å; N126-P276 WeakPolarHBondContact OD1-CA 3.13Å; N126-L277 HydrophobicContact CB-CD1 3.69Å; N126-L277 HydrophobicContact CB-CG 4.33Å; N126-L277 PolarHBondContact OD1-N 3.21Å; N126-F298 HydrophobicContact CB-CD1 3.92Å; N126-F298 HydrophobicContact CB-CE1 4.46Å
127	S	91.4	Very high	90.1	Very high	6 Å²	6	14.2 Å²	14.2	4%	0.042	8%	0.077	C	C	.	.			trans	-150.6	160.3	-174.9	47.5	0	0	0	0	110.9	P125 E129 W130 I131	P125-S127 PolarHBondContact O-N 3.08Å; P125-S127 PolarHBondContact O-OG 3.45Å; S127-E129 PolarHBondContact O-N 3.31Å; S127-W130 WeakPolarHBondContact O-CB 3.34Å; S127-W130 PolarHBondContact O-N 3.4Å; S127-W130 WeakPolarHBondContact OG-CB 3.4Å; S127-W130 PolarHBondContact OG-N 2.83Å; S127-I131 PolarHBondContact O-N 3.37Å
128	P	92.1	Very high	90.7	Very high	11 Å²	11	9.9 Å²	9.9	7%	0.071	6%	0.057	C	C	.	.	H	α-helix	trans	-52.5	-43.3	169.5	-24.4	33.1	0	0	0	111.6	L77 R78 I79 W130 I131 I132 F298	L77-P128 HydrophobicContact CB-CB 4.1Å; L77-P128 HydrophobicContact CD1-CB 4.17Å; R78-P128 WeakPolarHBondContact O-CG 3.25Å; I79-P128 HydrophobicContact CG1-CG 4.21Å; P128-W130 PolarHBondContact O-N 2.77Å; P128-I131 WeakPolarHBondContact O-CB 3.48Å; P128-I131 PolarHBondContact O-N 2.81Å; P128-I131 VanDerWaalsContact O-N 3.08Å; P128-I132 HydrophobicContact CB-CD1 4.4Å; P128-I132 WeakPolarHBondContact O-CD1 3.39Å; P128-I132 WeakPolarHBondContact O-CG1 3.38Å; P128-I132 PolarHBondContact O-N 3.48Å; P128-F298 HydrophobicContact CB-CE2 4.18Å; P128-F298 HydrophobicContact CG-CD2 3.84Å; P128-F298 HydrophobicContact CG-CE2 3.68Å
129	E	88.9	Confident	90.8	Very high	44 Å²	44	9 Å²	9	21%	0.206	5%	0.053	C	C	.	.	H	α-helix	trans	-71.9	-29.7	-175.2	-59.6	77.5	-159.7	0	0	112.1	S127 I132 M133 V193 F215	S127-E129 PolarHBondContact O-N 3.31Å; E129-I132 PolarHBondContact O-N 3.02Å; E129-M133 VanDerWaalsContact O-CB 3.28Å; E129-M133 WeakPolarHBondContact O-CB 3.34Å; E129-M133 PolarHBondContact O-N 3.26Å; E129-V193 HydrophobicContact CB-CB 4.29Å; E129-V193 HydrophobicContact CB-CG1 3.65Å; E129-V193 HydrophobicContact CB-CG2 3.67Å; E129-V193 HydrophobicContact CG-CG1 3.64Å; E129-V193 HydrophobicContact CG-CG2 4.44Å; E129-F215 HydrophobicContact CB-CE1 3.82Å; E129-F215 HydrophobicContact CB-CE2 4.18Å; E129-F215 HydrophobicContact CB-CZ 3.61Å; E129-F215 HydrophobicContact CG-CD1 4.25Å; E129-F215 HydrophobicContact CG-CE1 3.8Å; E129-F215 HydrophobicContact CG-CZ 4.14Å; E129-F215 VanDerWaalsContact O-CZ 3.28Å; E129-F215 WeakPolarHBondContact O-CZ 3.39Å
130	W	92.9	Very high	90.3	Very high	5 Å²	5	9 Å²	9	2%	0.019	5%	0.053	C	C	.	.	H	α-helix	trans	-58	-47.8	166.2	-169.5	110.8	0	0	0	110.9	I122 S127 P128 M133 Q134 I144 P146 L277 Q283	I122-W130 HydrophobicContact CG2-CG 3.99Å; S127-W130 WeakPolarHBondContact O-CB 3.34Å; S127-W130 PolarHBondContact O-N 3.4Å; S127-W130 WeakPolarHBondContact OG-CB 3.4Å; S127-W130 PolarHBondContact OG-N 2.83Å; P128-W130 PolarHBondContact O-N 2.77Å; W130-M133 PolarHBondContact O-N 2.64Å; W130-Q134 HydrophobicContact CE3-CB 3.93Å; W130-Q134 HydrophobicContact CE3-CG 4.47Å; W130-Q134 HydrophobicContact CH2-CB 4.02Å; W130-Q134 HydrophobicContact CH2-CG 3.85Å; W130-Q134 HydrophobicContact CZ3-CB 3.52Å; W130-Q134 HydrophobicContact CZ3-CG 3.59Å; W130-Q134 VanDerWaalsContact O-CB 3.25Å; W130-Q134 WeakPolarHBondContact O-CB 3.37Å; W130-Q134 PolarHBondContact O-N 3.22Å; W130-I144 HydrophobicContact CH2-CD1 4.29Å; W130-P146 HydrophobicContact CZ2-CB 4.47Å; W130-P146 HydrophobicContact CZ2-CG 4.42Å; W130-L277 HydrophobicContact CD2-CB 3.72Å; W130-L277 HydrophobicContact CD2-CD1 3.91Å; W130-L277 HydrophobicContact CD2-CG 4.28Å; W130-L277 HydrophobicContact CE3-CB 3.77Å; W130-L277 HydrophobicContact CE3-CD1 3.56Å; W130-L277 HydrophobicContact CE3-CD2 3.9Å; W130-L277 HydrophobicContact CE3-CG 3.93Å; W130-L277 HydrophobicContact CG-CB 4.45Å; W130-L277 HydrophobicContact CG-CD1 4.3Å; W130-L277 HydrophobicContact CH2-CB 3.87Å; W130-L277 HydrophobicContact CH2-CD2 4.17Å; W130-L277 HydrophobicContact CZ2-CB 3.77Å; W130-L277 HydrophobicContact CZ3-CB 3.82Å; W130-L277 HydrophobicContact CZ3-CD1 4.15Å; W130-L277 HydrophobicContact CZ3-CD2 3.59Å; W130-L277 HydrophobicContact CZ3-CG 4.04Å; W130-Q283 VanDerWaalsContact CH2-NE2 3.31Å
131	I	95	Very high	89.8	Confident	2 Å²	2	9.3 Å²	9.3	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-68.2	-40.9	179.4	-64.2	-71.8	0	0	0	111.9	L77 S127 P128 M133 Q134 H135 L277 I290 L296 F298	L77-I131 HydrophobicContact CD1-CB 4.13Å; L77-I131 HydrophobicContact CD1-CG2 3.99Å; L77-I131 HydrophobicContact CD2-CB 4.27Å; L77-I131 HydrophobicContact CD2-CG1 4.43Å; L77-I131 HydrophobicContact CD2-CG2 3.9Å; S127-I131 PolarHBondContact O-N 3.37Å; P128-I131 WeakPolarHBondContact O-CB 3.48Å; P128-I131 PolarHBondContact O-N 2.81Å; P128-I131 VanDerWaalsContact O-N 3.08Å; I131-M133 VanDerWaalsContact C-N 3.34Å; I131-Q134 WeakPolarHBondContact O-CB 3.45Å; I131-Q134 PolarHBondContact O-N 3.35Å; I131-H135 PolarHBondContact O-N 3.47Å; I131-L277 HydrophobicContact CD1-CD1 3.81Å; I131-L277 HydrophobicContact CD1-CD2 3.69Å; I131-L277 HydrophobicContact CD1-CG 4.45Å; I131-L277 HydrophobicContact CG1-CD1 4.13Å; I131-I290 HydrophobicContact CG2-CD1 3.65Å; I131-L296 HydrophobicContact CD1-CD1 3.71Å; I131-L296 HydrophobicContact CG1-CD1 3.92Å; I131-L296 HydrophobicContact CG2-CD1 4.41Å; I131-F298 HydrophobicContact CG1-CE1 4.13Å; I131-F298 HydrophobicContact CG1-CZ 3.85Å
132	I	92.2	Very high	89.4	Confident	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-66	-39.7	178.7	-57.5	159.5	0	0	0	109.3	L77 L90 V95 K98 I99 I102 P128 E129 A136 F215	L77-I132 HydrophobicContact CD1-CD1 4.13Å; L77-I132 HydrophobicContact CD1-CG1 3.66Å; L90-I132 HydrophobicContact CD1-CD1 3.95Å; V95-I132 HydrophobicContact CG1-CG1 4.15Å; K98-I132 VanDerWaalsContact C-CG2 3.45Å; K98-I132 HydrophobicContact CB-CD1 4.27Å; K98-I132 HydrophobicContact CB-CG2 3.65Å; K98-I132 HydrophobicContact CD-CD1 4.27Å; I99-I132 HydrophobicContact CG1-CG2 3.83Å; I102-I132 HydrophobicContact CD1-CB 4.21Å; I102-I132 HydrophobicContact CD1-CG2 3.4Å; I102-I132 VanDerWaalsContact CD1-CG2 3.4Å; P128-I132 HydrophobicContact CB-CD1 4.4Å; P128-I132 WeakPolarHBondContact O-CD1 3.39Å; P128-I132 WeakPolarHBondContact O-CG1 3.38Å; P128-I132 PolarHBondContact O-N 3.48Å; E129-I132 PolarHBondContact O-N 3.02Å; I132-A136 WeakPolarHBondContact O-CB 3.42Å; I132-A136 PolarHBondContact O-N 2.8Å; I132-F215 HydrophobicContact CB-CE1 3.98Å; I132-F215 HydrophobicContact CB-CZ 3.94Å; I132-F215 HydrophobicContact CD1-CE1 4.2Å; I132-F215 HydrophobicContact CG2-CE1 3.9Å; I132-F215 HydrophobicContact CG2-CZ 4.1Å
133	M	90.6	Very high	89.2	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-68.8	-40.3	173.2	179.9	60.1	83.8	0	0	113	I102 L106 V120 I122 E129 W130 I131 A136 C137 L169 I191 F215	I102-M133 HydrophobicContact CG2-CE 3.69Å; I102-M133 HydrophobicContact CG2-SD 3.61Å; L106-M133 HydrophobicContact CD1-SD 4.18Å; V120-M133 HydrophobicContact CG1-SD 4.14Å; I122-M133 HydrophobicContact CD1-CB 4.2Å; I122-M133 HydrophobicContact CD1-CG 3.7Å; I122-M133 HydrophobicContact CG1-CG 4.05Å; E129-M133 VanDerWaalsContact O-CB 3.28Å; E129-M133 WeakPolarHBondContact O-CB 3.34Å; E129-M133 PolarHBondContact O-N 3.26Å; W130-M133 PolarHBondContact O-N 2.64Å; I131-M133 VanDerWaalsContact C-N 3.34Å; M133-A136 CarbonylContact O-C 3.47Å; M133-A136 WeakPolarHBondContact O-CB 3.46Å; M133-A136 PolarHBondContact O-N 2.94Å; M133-C137 WeakPolarHBondContact O-CB 3.14Å; M133-C137 PolarHBondContact O-N 3.44Å; M133-C137 PolarHBondContact O-SG 3.3Å; M133-C137 VanDerWaalsContact O-SG 3.34Å; M133-L169 HydrophobicContact CB-CD2 3.51Å; M133-L169 HydrophobicContact CE-CB 4.16Å; M133-L169 HydrophobicContact CE-CD1 4.06Å; M133-L169 HydrophobicContact CE-CD2 4.2Å; M133-L169 HydrophobicContact CE-CG 4.39Å; M133-L169 HydrophobicContact CG-CB 4.37Å; M133-L169 HydrophobicContact CG-CD2 3.7Å; M133-I191 HydrophobicContact CE-CD1 3.59Å; M133-F215 HydrophobicContact CB-CE2 4.14Å; M133-F215 HydrophobicContact CB-CZ 4.34Å; M133-F215 HydrophobicContact CE-CE2 4.13Å
134	Q	93.4	Very high	89.3	Confident	0 Å²	0	9.1 Å²	9.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.6	-51.2	174.7	175.4	-149.9	22.5	0	0	110.9	W130 I131 A136 A138 I144 Y227	W130-Q134 HydrophobicContact CE3-CB 3.93Å; W130-Q134 HydrophobicContact CE3-CG 4.47Å; W130-Q134 HydrophobicContact CH2-CB 4.02Å; W130-Q134 HydrophobicContact CH2-CG 3.85Å; W130-Q134 HydrophobicContact CZ3-CB 3.52Å; W130-Q134 HydrophobicContact CZ3-CG 3.59Å; W130-Q134 VanDerWaalsContact O-CB 3.25Å; W130-Q134 WeakPolarHBondContact O-CB 3.37Å; W130-Q134 PolarHBondContact O-N 3.22Å; I131-Q134 WeakPolarHBondContact O-CB 3.45Å; I131-Q134 PolarHBondContact O-N 3.35Å; Q134-A136 VanDerWaalsContact C-N 3.35Å; Q134-A138 WeakPolarHBondContact O-CB 3.12Å; Q134-A138 PolarHBondContact O-N 3.03Å; Q134-I144 HydrophobicContact CB-CD1 4.28Å; Q134-I144 HydrophobicContact CG-CD1 3.83Å; Q134-Y227 WeakPolarHBondContact CG-OH 3.5Å; Q134-Y227 PolarHBondContact NE2-OH 2.95Å; Q134-Y227 VanDerWaalsContact NE2-OH 3.11Å
135	H	92.6	Very high	89.6	Confident	2 Å²	2	8.6 Å²	8.6	1%	0.009	5%	0.051	C	C	.	.	H	α-helix	trans	-75.2	-23.7	177.3	-79.6	-69.7	0	0	0	113.1	M60 I99 I131 A139 I290	M60-H135 VanDerWaalsContact CE-CE1 3.43Å; M60-H135 WeakPolarHBondContact CE-CE1 3.41Å; M60-H135 PolarHBondContact O-CE1 2.59Å; M60-H135 PolarHBondContact O-ND1 2.78Å; I99-H135 HydrophobicContact CD1-CB 3.6Å; I99-H135 HydrophobicContact CG1-CB 4.08Å; I131-H135 PolarHBondContact O-N 3.47Å; H135-A139 WeakPolarHBondContact O-CB 3.4Å; H135-A139 PolarHBondContact O-N 2.8Å; H135-I290 VanDerWaalsContact NE2-CD1 3.29Å; H135-I290 WeakPolarHBondContact NE2-CD1 3.32Å
136	A	87.5	Confident	89.9	Confident	0 Å²	0	6 Å²	6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-64	-62.4	166.4	0	0	0	0	0	110.1	I102 I132 M133 Q134 A138 A139 Y140	I102-A136 HydrophobicContact CB-CB 3.75Å; I102-A136 HydrophobicContact CD1-CB 3.92Å; I102-A136 HydrophobicContact CG1-CB 4.49Å; I102-A136 HydrophobicContact CG2-CB 3.51Å; I132-A136 WeakPolarHBondContact O-CB 3.42Å; I132-A136 PolarHBondContact O-N 2.8Å; M133-A136 CarbonylContact O-C 3.47Å; M133-A136 WeakPolarHBondContact O-CB 3.46Å; M133-A136 PolarHBondContact O-N 2.94Å; Q134-A136 VanDerWaalsContact C-N 3.35Å; A136-A138 CarbonylContact O-C 3.5Å; A136-A138 PolarHBondContact O-N 3.44Å; A136-A139 CarbonylContact O-C 3.59Å; A136-A139 VanDerWaalsContact O-C 3.24Å; A136-A139 VanDerWaalsContact O-CA 3.3Å; A136-A139 WeakPolarHBondContact O-CA 3.35Å; A136-A139 PolarHBondContact O-N 3.36Å; A136-Y140 VanDerWaalsContact CA-CD2 3.4Å; A136-Y140 HydrophobicContact CB-CD2 3.7Å; A136-Y140 HydrophobicContact CB-CE2 3.91Å; A136-Y140 VanDerWaalsContact O-CB 3.3Å; A136-Y140 WeakPolarHBondContact O-CB 3.43Å; A136-Y140 WeakPolarHBondContact O-CD2 3.35Å; A136-Y140 VanDerWaalsContact O-CG 3.3Å; A136-Y140 PolarHBondContact O-N 2.69Å
137	C	89	Confident	89.8	Confident	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-51.7	-39	179.3	-66.3	0	0	0	0	112.6	M133 Y140 G141 Y142 I144	M133-C137 WeakPolarHBondContact O-CB 3.14Å; M133-C137 PolarHBondContact O-N 3.44Å; M133-C137 PolarHBondContact O-SG 3.3Å; M133-C137 VanDerWaalsContact O-SG 3.34Å; C137-Y140 CarbonylContact O-C 3.49Å; C137-Y140 PolarHBondContact O-N 3.32Å; C137-G141 PolarHBondContact O-N 3.46Å; C137-Y142 CarbonylContact C-O 3.02Å; C137-Y142 PolarHBondContact O-N 3.41Å; C137-I144 HydrophobicContact CB-CG2 3.25Å; C137-I144 VanDerWaalsContact SG-CG2 3.57Å
138	A	88.8	Confident	89.2	Confident	1 Å²	1	4.9 Å²	4.9	1%	0.008	3%	0.027	C	C	.	.	H	α-helix	trans	-64.5	-42.4	171.1	0	0	0	0	0	114.7	M60 Q134 A136 Y140 Y227	M60-A138 HydrophobicContact CB-CB 3.55Å; Q134-A138 WeakPolarHBondContact O-CB 3.12Å; Q134-A138 PolarHBondContact O-N 3.03Å; A136-A138 CarbonylContact O-C 3.5Å; A136-A138 PolarHBondContact O-N 3.44Å; A138-Y140 PolarHBondContact O-N 3.09Å; A138-Y227 HydrophobicContact CB-CD2 3.98Å; A138-Y227 HydrophobicContact CB-CE2 3.69Å
139	A	84.2	Confident	88.1	Confident	4 Å²	4	7.7 Å²	7.7	3%	0.033	5%	0.045	C	C	.	.	H	α-helix	trans	-78.2	-1.3	174.3	0	0	0	0	0	113.3	K61 I99 H135 A136 D220 P221	K61-A139 HydrophobicContact CB-CB 4.25Å; K61-A139 HydrophobicContact CD-CB 4.16Å; K61-A139 HydrophobicContact CG-CB 4.11Å; I99-A139 HydrophobicContact CG2-CB 4.06Å; H135-A139 WeakPolarHBondContact O-CB 3.4Å; H135-A139 PolarHBondContact O-N 2.8Å; A136-A139 CarbonylContact O-C 3.59Å; A136-A139 VanDerWaalsContact O-C 3.24Å; A136-A139 VanDerWaalsContact O-CA 3.3Å; A136-A139 WeakPolarHBondContact O-CA 3.35Å; A136-A139 PolarHBondContact O-N 3.36Å; A139-D220 CarbonylContact O-C 3.6Å; A139-D220 WeakPolarHBondContact O-CA 3.29Å; A139-P221 WeakPolarHBondContact O-CB 3.41Å; A139-P221 WeakPolarHBondContact O-CD 3.24Å; A139-P221 WeakPolarHBondContact O-CG 3.46Å
140	Y	80	Confident	87.3	Confident	2 Å²	2	11.6 Å²	11.6	1%	0.008	7%	0.072	C	C	.	.	H	α-helix	trans	-132.6	9	-174.3	-57.5	-54.4	0	0	0	115.7	I99 K100 G103 A136 C137 A138 Y142 M219 D220	I99-Y140 HydrophobicContact CG2-CE2 3.73Å; I99-Y140 WeakPolarHBondContact O-CE2 3.13Å; K100-Y140 WeakPolarHBondContact CG-OH 3.36Å; G103-Y140 VanDerWaalsContact CA-CE2 3.48Å; A136-Y140 VanDerWaalsContact CA-CD2 3.4Å; A136-Y140 HydrophobicContact CB-CD2 3.7Å; A136-Y140 HydrophobicContact CB-CE2 3.91Å; A136-Y140 VanDerWaalsContact O-CB 3.3Å; A136-Y140 WeakPolarHBondContact O-CB 3.43Å; A136-Y140 WeakPolarHBondContact O-CD2 3.35Å; A136-Y140 VanDerWaalsContact O-CG 3.3Å; A136-Y140 PolarHBondContact O-N 2.69Å; C137-Y140 CarbonylContact O-C 3.49Å; C137-Y140 PolarHBondContact O-N 3.32Å; A138-Y140 PolarHBondContact O-N 3.09Å; Y140-Y142 WeakPolarHBondContact O-CD2 3.43Å; Y140-Y142 VanDerWaalsContact O-CE2 3.26Å; Y140-Y142 WeakPolarHBondContact O-CE2 3.38Å; Y140-M219 HydrophobicContact CE1-CB 3.94Å; Y140-D220 HydrophobicContact CE1-CB 4.3Å
141	G	80	Confident	86.4	Confident	8 Å²	8	12.9 Å²	12.9	8%	0.082	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	35.2	172.5	0	0	0	0	0	113.6	Q112 C137	Q112-G141 PolarHBondContact NE2-O 2.9Å; C137-G141 PolarHBondContact O-N 3.46Å
142	Y	86	Confident	85.4	Confident	2 Å²	2	15 Å²	15	1%	0.008	10%	0.1	C	C	.	.			trans	-113.5	140.5	173.1	-69.9	-90.2	0	0	0	110.8	L106 V107 V110 N118 V120 C137 Y140	L106-Y142 HydrophobicContact CB-CD2 3.84Å; L106-Y142 HydrophobicContact CB-CE1 4.11Å; L106-Y142 HydrophobicContact CB-CE2 3.36Å; L106-Y142 HydrophobicContact CB-CG 4.42Å; L106-Y142 HydrophobicContact CD1-CD2 3.74Å; L106-Y142 HydrophobicContact CD1-CE2 4.16Å; L106-Y142 HydrophobicContact CD1-CG 4.09Å; L106-Y142 HydrophobicContact CG-CD2 4.44Å; L106-Y142 HydrophobicContact CG-CE2 4.41Å; L106-Y142 PolarHBondContact O-OH 3.04Å; V107-Y142 WeakPolarHBondContact CA-OH 3.48Å; V107-Y142 HydrophobicContact CG2-CE2 3.59Å; V107-Y142 PolarHBondContact N-OH 2.89Å; V110-Y142 HydrophobicContact CB-CE1 3.93Å; V110-Y142 HydrophobicContact CG1-CD1 4.41Å; V110-Y142 HydrophobicContact CG1-CE1 3.76Å; V110-Y142 PolarHBondContact O-OH 3.24Å; N118-Y142 HydrophobicContact CB-CD1 3.92Å; N118-Y142 HydrophobicContact CB-CE1 4.2Å; N118-Y142 WeakPolarHBondContact O-CA 3.23Å; N118-Y142 WeakPolarHBondContact O-CD1 3.12Å; V120-Y142 HydrophobicContact CG2-CD1 3.63Å; V120-Y142 HydrophobicContact CG2-CE1 4.48Å; V120-Y142 HydrophobicContact CG2-CG 3.89Å; C137-Y142 CarbonylContact C-O 3.02Å; C137-Y142 PolarHBondContact O-N 3.41Å; Y140-Y142 WeakPolarHBondContact O-CD2 3.43Å; Y140-Y142 VanDerWaalsContact O-CE2 3.26Å; Y140-Y142 WeakPolarHBondContact O-CE2 3.38Å
143	T	89.3	Confident	85.1	Confident	6 Å²	6	19.4 Å²	19.4	4%	0.037	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	118.7	173.1	-52.7	0	0	0	0	109.4	N118 F119 V120 L226 Y227 V229	N118-T143 PolarHBondContact O-N 3.37Å; F119-T143 CarbonylContact C-O 3.55Å; F119-T143 VanDerWaalsContact CA-O 3.3Å; F119-T143 WeakPolarHBondContact CA-O 3.39Å; F119-T143 HydrophobicContact CD1-CG2 3.69Å; F119-T143 HydrophobicContact CE1-CG2 3.61Å; V120-T143 PolarHBondContact N-O 2.8Å; T143-L226 WeakPolarHBondContact CA-O 3.38Å; T143-L226 WeakPolarHBondContact CB-O 3.26Å; T143-L226 HydrophobicContact CG2-CB 4.4Å; T143-L226 HydrophobicContact CG2-CD2 3.81Å; T143-L226 HydrophobicContact CG2-CG 3.66Å; T143-L226 PolarHBondContact OG1-O 3.07Å; T143-Y227 CarbonylContact C-O 3.16Å; T143-Y227 WeakPolarHBondContact CA-O 3.49Å; T143-V229 HydrophobicContact CG2-CG2 4.06Å
144	I	93.6	Very high	84.8	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.6	174.6	61.3	174.6	0	0	0	112	V120 I122 W130 Q134 C137 P146 Y227 M228 V229	V120-I144 CarbonylContact O-C 3.52Å; V120-I144 VanDerWaalsContact O-CA 3.29Å; V120-I144 WeakPolarHBondContact O-CA 3.37Å; I122-I144 HydrophobicContact CD1-CB 4.23Å; I122-I144 HydrophobicContact CD1-CD1 4.47Å; I122-I144 HydrophobicContact CD1-CG2 3.96Å; W130-I144 HydrophobicContact CH2-CD1 4.29Å; Q134-I144 HydrophobicContact CB-CD1 4.28Å; Q134-I144 HydrophobicContact CG-CD1 3.83Å; C137-I144 HydrophobicContact CB-CG2 3.25Å; C137-I144 VanDerWaalsContact SG-CG2 3.57Å; I144-P146 HydrophobicContact CD1-CG 4.44Å; I144-P146 HydrophobicContact CG1-CG 4.46Å; I144-P146 WeakPolarHBondContact O-CD 3.32Å; I144-Y227 HydrophobicContact CD1-CE2 4.21Å; I144-Y227 HydrophobicContact CG1-CE2 4.34Å; I144-Y227 PolarHBondContact N-O 2.89Å; I144-M228 HydrophobicContact CD1-CE 4.22Å; I144-M228 HydrophobicContact CG1-CB 3.83Å; I144-M228 HydrophobicContact CG1-CE 4.47Å; I144-M228 HydrophobicContact CG1-CG 3.95Å; I144-M228 CarbonylContact O-C 3.52Å; I144-M228 VanDerWaalsContact O-CA 3.24Å; I144-M228 WeakPolarHBondContact O-CA 3.3Å; I144-V229 PolarHBondContact O-N 2.77Å
145	V	94.9	Very high	84.4	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	90.3	172.6	-175.5	0	0	0	0	108.4	F119 V120 G121 I122 I147 I159 T163 Y231	F119-V145 HydrophobicContact CB-CG2 3.93Å; F119-V145 HydrophobicContact CD1-CG2 3.36Å; F119-V145 HydrophobicContact CE1-CG2 4.07Å; F119-V145 HydrophobicContact CG-CG2 3.8Å; V120-V145 PolarHBondContact O-N 3.15Å; G121-V145 WeakPolarHBondContact CA-O 3.43Å; I122-V145 PolarHBondContact N-O 3.08Å; V145-I147 HydrophobicContact CG1-CG1 4.42Å; V145-I147 PolarHBondContact O-N 3.48Å; V145-I159 HydrophobicContact CG1-CG2 3.81Å; V145-T163 HydrophobicContact CG1-CG2 4.13Å; V145-T163 HydrophobicContact CG2-CG2 4.11Å; V145-Y231 HydrophobicContact CG1-CD2 4.17Å; V145-Y231 HydrophobicContact CG1-CE2 3.92Å
146	P	94.1	Very high	84.2	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	121.1	178.1	-17.9	32.6	0	0	0	110.7	W130 I144 M228 V229 A278	W130-P146 HydrophobicContact CZ2-CB 4.47Å; W130-P146 HydrophobicContact CZ2-CG 4.42Å; I144-P146 HydrophobicContact CD1-CG 4.44Å; I144-P146 HydrophobicContact CG1-CG 4.46Å; I144-P146 WeakPolarHBondContact O-CD 3.32Å; P146-M228 HydrophobicContact CG-CG 4.18Å; P146-M228 HydrophobicContact CG-SD 4.22Å; P146-V229 WeakPolarHBondContact CD-O 3.25Å; P146-A278 HydrophobicContact CB-CB 3.55Å
147	I	89.5	Confident	84.5	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	128.5	175.8	-55.9	-173.5	0	0	0	108.8	I122 Y123 V145 F151 I156 I159 L160 M168	I122-I147 PolarHBondContact O-N 3.33Å; Y123-I147 HydrophobicContact CD2-CB 3.77Å; Y123-I147 HydrophobicContact CD2-CG2 3.56Å; Y123-I147 HydrophobicContact CE2-CG2 3.9Å; Y123-I147 HydrophobicContact CG-CB 4.4Å; Y123-I147 HydrophobicContact CG-CG2 4.43Å; V145-I147 HydrophobicContact CG1-CG1 4.42Å; V145-I147 PolarHBondContact O-N 3.48Å; I147-F151 HydrophobicContact CG2-CD2 4.45Å; I147-I156 HydrophobicContact CG2-CG1 4.23Å; I147-I159 HydrophobicContact CD1-CG2 4.02Å; I147-I159 HydrophobicContact CG1-CG2 4.17Å; I147-L160 HydrophobicContact CD1-CD2 4.29Å; I147-M168 HydrophobicContact CD1-CE 3.61Å; I147-M168 HydrophobicContact CD1-SD 4.44Å
148	Y	79.3	Confident	84.6	Confident	13 Å²	13	31.3 Å²	31.3	5%	0.051	18%	0.182	C	C	.	.			trans	-79.2	131.9	-179.6	-63.8	-106.8	0	0	0	110.3	T150 F151 P276 A278 H279	Y148-T150 PolarHBondContact O-N 2.92Å; Y148-F151 HydrophobicContact CD2-CD1 4.25Å; Y148-F151 AromaticContact CD2-CD2 3.94Å; Y148-F151 HydrophobicContact CD2-CD2 3.94Å; Y148-F151 AromaticContact CD2-CE1 3.72Å; Y148-F151 HydrophobicContact CD2-CE1 3.72Å; Y148-F151 AromaticContact CD2-CE2 3.36Å; Y148-F151 HydrophobicContact CD2-CE2 3.36Å; Y148-F151 HydrophobicContact CD2-CG 4.36Å; Y148-F151 AromaticContact CD2-CZ 3.25Å; Y148-F151 HydrophobicContact CD2-CZ 3.25Å; Y148-F151 HydrophobicContact CE2-CE1 4.18Å; Y148-F151 HydrophobicContact CE2-CE2 4.01Å; Y148-F151 AromaticContact CE2-CZ 3.58Å; Y148-F151 HydrophobicContact CE2-CZ 3.58Å; Y148-F151 HydrophobicContact CG-CD1 4.38Å; Y148-F151 HydrophobicContact CG-CD2 4.48Å; Y148-F151 HydrophobicContact CG-CE1 4.18Å; Y148-F151 HydrophobicContact CG-CE2 4.27Å; Y148-F151 HydrophobicContact CG-CZ 4.13Å; Y148-F151 PolarHBondContact O-N 3.44Å; Y148-F151 VanDerWaalsContact O-N 3.14Å; Y148-P276 HydrophobicContact CD1-CB 4.37Å; Y148-P276 HydrophobicContact CE1-CB 4.3Å; Y148-A278 HydrophobicContact CD1-CB 3.83Å; Y148-A278 HydrophobicContact CD2-CB 3.86Å; Y148-A278 HydrophobicContact CE1-CB 3.56Å; Y148-A278 HydrophobicContact CE2-CB 3.63Å; Y148-A278 HydrophobicContact CG-CB 3.98Å; Y148-A278 VanDerWaalsContact CZ-CB 3.49Å; Y148-A278 VanDerWaalsContact OH-C 3.25Å; Y148-A278 PolarHBondContact OH-O 3.47Å; Y148-H279 AromaticContact CE1-CD2 3.96Å; Y148-H279 AromaticContact CE1-CE1 3.37Å; Y148-H279 WeakPolarHBondContact CE1-CE1 3.49Å; Y148-H279 AromaticContact CE1-CG 3.8Å; Y148-H279 AromaticContact CE1-ND1 3.44Å; Y148-H279 WeakPolarHBondContact CE1-ND1 3.44Å; Y148-H279 AromaticContact CE1-NE2 3.69Å; Y148-H279 AromaticContact CZ-CE1 3.87Å; Y148-H279 AromaticContact CZ-ND1 3.59Å; Y148-H279 WeakPolarHBondContact OH-CA 3.37Å; Y148-H279 PolarHBondContact OH-N 3.45Å; Y148-H279 PolarHBondContact OH-ND1 3.43Å
149	P	67.8	Low	84.8	Confident	70 Å²	70	31.2 Å²	31.2	46%	0.455	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-20	168.4	-28	36.8	0	0	0	114.4
150	T	72.2	Confident	85.3	Confident	125 Å²	125	31.1 Å²	31.1	77%	0.767	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	6.2	-178.1	59	0	0	0	0	114.6	Y148	Y148-T150 PolarHBondContact O-N 2.92Å
151	F	74.2	Confident	85.9	Confident	32 Å²	32	34.3 Å²	34.3	14%	0.14	20%	0.202	C	C	.	.			trans	-71.3	140.9	170.5	-82.8	-19.9	0	0	0	110.8	I147 Y148 A155 I156 I159 P239	I147-F151 HydrophobicContact CG2-CD2 4.45Å; Y148-F151 HydrophobicContact CD2-CD1 4.25Å; Y148-F151 AromaticContact CD2-CD2 3.94Å; Y148-F151 HydrophobicContact CD2-CD2 3.94Å; Y148-F151 AromaticContact CD2-CE1 3.72Å; Y148-F151 HydrophobicContact CD2-CE1 3.72Å; Y148-F151 AromaticContact CD2-CE2 3.36Å; Y148-F151 HydrophobicContact CD2-CE2 3.36Å; Y148-F151 HydrophobicContact CD2-CG 4.36Å; Y148-F151 AromaticContact CD2-CZ 3.25Å; Y148-F151 HydrophobicContact CD2-CZ 3.25Å; Y148-F151 HydrophobicContact CE2-CE1 4.18Å; Y148-F151 HydrophobicContact CE2-CE2 4.01Å; Y148-F151 AromaticContact CE2-CZ 3.58Å; Y148-F151 HydrophobicContact CE2-CZ 3.58Å; Y148-F151 HydrophobicContact CG-CD1 4.38Å; Y148-F151 HydrophobicContact CG-CD2 4.48Å; Y148-F151 HydrophobicContact CG-CE1 4.18Å; Y148-F151 HydrophobicContact CG-CE2 4.27Å; Y148-F151 HydrophobicContact CG-CZ 4.13Å; Y148-F151 PolarHBondContact O-N 3.44Å; Y148-F151 VanDerWaalsContact O-N 3.14Å; F151-A155 HydrophobicContact CB-CB 4.01Å; F151-A155 HydrophobicContact CG-CB 4.15Å; F151-I156 HydrophobicContact CB-CD1 4.28Å; F151-I156 HydrophobicContact CB-CG1 3.72Å; F151-I159 HydrophobicContact CD2-CD1 3.53Å; F151-I159 HydrophobicContact CE2-CD1 3.29Å; F151-I159 HydrophobicContact CZ-CD1 4.37Å; F151-P239 HydrophobicContact CZ-CB 4.47Å
152	G	74	Confident	86.6	Confident	47 Å²	47	35.1 Å²	35.1	49%	0.485	20%	0.204	S	C	.	.			trans	-67	160.6	171.8	0	0	0	0	0	112	E154 A155 I156	G152-E154 VanDerWaalsContact C-N 3.31Å; G152-E154 PolarHBondContact O-N 3.28Å; G152-A155 WeakPolarHBondContact O-CB 3.47Å; G152-A155 PolarHBondContact O-N 2.95Å; G152-I156 PolarHBondContact O-N 3.45Å
153	N	85.4	Confident	86.9	Confident	92 Å²	92	35.1 Å²	35.1	49%	0.492	20%	0.204	S	C	.	.	H	α-helix	trans	-53.5	-45.9	-174.9	-65.6	-7.4	0	0	0	112.7	A155 I156 Q157 F183	N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.42Å; N153-I156 PolarHBondContact O-N 3.01Å; N153-Q157 WeakPolarHBondContact O-CB 3.36Å; N153-Q157 PolarHBondContact O-N 3.1Å; N153-F183 HydrophobicContact CB-CE1 3.83Å; N153-F183 HydrophobicContact CB-CZ 4.25Å; N153-F183 VanDerWaalsContact O-CE1 3.27Å; N153-F183 WeakPolarHBondContact O-CE1 2.92Å
154	E	84.7	Confident	87	Confident	157 Å²	157	40.8 Å²	40.8	73%	0.734	23%	0.23	S	C	*	.	H	α-helix	trans	-61.2	-38.2	179.2	-63.8	171.1	-173.1	0	0	112.6	G152 H158 L238	G152-E154 VanDerWaalsContact C-N 3.31Å; G152-E154 PolarHBondContact O-N 3.28Å; E154-H158 VanDerWaalsContact O-CB 3.29Å; E154-H158 WeakPolarHBondContact O-CB 3.31Å; E154-H158 PolarHBondContact O-N 2.85Å; E154-L238 HydrophobicContact CB-CD2 4.5Å
155	A	84.7	Confident	86.8	Confident	15 Å²	15	40.9 Å²	40.9	12%	0.124	23%	0.231	C	C	.	.	H	α-helix	trans	-66.7	-43.4	176.1	0	0	0	0	0	111.8	F151 G152 N153 I159 P239	F151-A155 HydrophobicContact CB-CB 4.01Å; F151-A155 HydrophobicContact CG-CB 4.15Å; G152-A155 WeakPolarHBondContact O-CB 3.47Å; G152-A155 PolarHBondContact O-N 2.95Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.42Å; A155-I159 WeakPolarHBondContact O-CD1 3.39Å; A155-I159 WeakPolarHBondContact O-CG1 3.48Å; A155-I159 PolarHBondContact O-N 3.35Å; A155-I159 VanDerWaalsContact O-N 3.16Å; A155-P239 HydrophobicContact CB-CG 3.48Å; A155-P239 VanDerWaalsContact CB-CG 3.48Å
156	I	88.9	Confident	86.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-46.6	175.9	-63.4	174.7	0	0	0	110.3	I147 F151 G152 N153 H158 I159 L160 L179 F183	I147-I156 HydrophobicContact CG2-CG1 4.23Å; F151-I156 HydrophobicContact CB-CD1 4.28Å; F151-I156 HydrophobicContact CB-CG1 3.72Å; G152-I156 PolarHBondContact O-N 3.45Å; N153-I156 PolarHBondContact O-N 3.01Å; I156-H158 PolarHBondContact O-N 3.4Å; I156-I159 PolarHBondContact O-N 2.77Å; I156-L160 HydrophobicContact CG2-CD1 3.82Å; I156-L160 HydrophobicContact CG2-CG 4.42Å; I156-L160 WeakPolarHBondContact O-CG 3.3Å; I156-L160 PolarHBondContact O-N 2.98Å; I156-L179 HydrophobicContact CG2-CD1 4.21Å; I156-F183 HydrophobicContact CB-CD1 4.39Å; I156-F183 HydrophobicContact CB-CE1 3.94Å; I156-F183 HydrophobicContact CB-CE2 4.28Å; I156-F183 HydrophobicContact CB-CZ 3.87Å; I156-F183 HydrophobicContact CD1-CE2 4.26Å; I156-F183 HydrophobicContact CD1-CZ 3.99Å; I156-F183 HydrophobicContact CG2-CD1 4.12Å; I156-F183 HydrophobicContact CG2-CD2 3.82Å; I156-F183 HydrophobicContact CG2-CE1 4.03Å; I156-F183 HydrophobicContact CG2-CE2 3.71Å; I156-F183 HydrophobicContact CG2-CG 4.02Å; I156-F183 HydrophobicContact CG2-CZ 3.82Å
157	Q	93.2	Very high	86.3	Confident	45 Å²	45	42.6 Å²	42.6	21%	0.21	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-44.9	178.3	-173.1	56.4	72.6	0	0	111.8	N153 I159 L160 S161 F183 E184	N153-Q157 WeakPolarHBondContact O-CB 3.36Å; N153-Q157 PolarHBondContact O-N 3.1Å; Q157-I159 VanDerWaalsContact C-N 3.35Å; Q157-I159 PolarHBondContact O-N 3.15Å; Q157-L160 PolarHBondContact O-N 3.49Å; Q157-S161 PolarHBondContact NE2-OG 3.1Å; Q157-S161 WeakPolarHBondContact O-CB 3.49Å; Q157-S161 PolarHBondContact O-N 3.34Å; Q157-S161 PolarHBondContact O-OG 2.68Å; Q157-F183 HydrophobicContact CB-CD1 4.07Å; Q157-F183 VanDerWaalsContact OE1-CA 3.28Å; Q157-E184 PolarHBondContact NE2-O 3.07Å
158	H	92.3	Very high	86.4	Confident	35 Å²	35	42.5 Å²	42.5	16%	0.162	24%	0.239	C	C	.	.	H	α-helix	trans	-58.2	-45.3	177	176.5	63.1	0	0	0	112.3	E154 I156 S161 Q162 L238 P239	E154-H158 VanDerWaalsContact O-CB 3.29Å; E154-H158 WeakPolarHBondContact O-CB 3.31Å; E154-H158 PolarHBondContact O-N 2.85Å; I156-H158 PolarHBondContact O-N 3.4Å; H158-S161 PolarHBondContact O-N 2.81Å; H158-Q162 VanDerWaalsContact O-CB 3.28Å; H158-Q162 WeakPolarHBondContact O-CB 3.31Å; H158-Q162 PolarHBondContact O-N 2.69Å; H158-L238 HydrophobicContact CB-CD1 4.32Å; H158-L238 HydrophobicContact CB-CD2 4.2Å; H158-P239 PolarHBondContact CD2-O 2.63Å; H158-P239 PolarHBondContact NE2-O 2.97Å
159	I	93	Very high	86.9	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62	-46.3	179.4	-69.7	164.9	0	0	0	111.2	V145 I147 F151 A155 I156 Q157 T163 Y231	V145-I159 HydrophobicContact CG1-CG2 3.81Å; I147-I159 HydrophobicContact CD1-CG2 4.02Å; I147-I159 HydrophobicContact CG1-CG2 4.17Å; F151-I159 HydrophobicContact CD2-CD1 3.53Å; F151-I159 HydrophobicContact CE2-CD1 3.29Å; F151-I159 HydrophobicContact CZ-CD1 4.37Å; A155-I159 WeakPolarHBondContact O-CD1 3.39Å; A155-I159 WeakPolarHBondContact O-CG1 3.48Å; A155-I159 PolarHBondContact O-N 3.35Å; A155-I159 VanDerWaalsContact O-N 3.16Å; I156-I159 PolarHBondContact O-N 2.77Å; Q157-I159 VanDerWaalsContact C-N 3.35Å; Q157-I159 PolarHBondContact O-N 3.15Å; I159-T163 WeakPolarHBondContact O-CB 3.36Å; I159-T163 WeakPolarHBondContact O-CG2 3.18Å; I159-T163 PolarHBondContact O-N 3.07Å; I159-T163 PolarHBondContact O-OG1 2.88Å; I159-Y231 HydrophobicContact CB-CE2 4.33Å; I159-Y231 HydrophobicContact CD1-CD1 4.12Å; I159-Y231 HydrophobicContact CD1-CD2 4.07Å; I159-Y231 HydrophobicContact CD1-CG 3.75Å; I159-Y231 HydrophobicContact CG1-CD1 3.61Å; I159-Y231 HydrophobicContact CG1-CD2 3.83Å; I159-Y231 HydrophobicContact CG1-CE1 3.76Å; I159-Y231 HydrophobicContact CG1-CE2 3.98Å; I159-Y231 HydrophobicContact CG1-CG 3.64Å; I159-Y231 HydrophobicContact CG2-CD2 3.99Å; I159-Y231 HydrophobicContact CG2-CE2 3.73Å
160	L	94	Very high	87.9	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-44.2	178.1	-66	166.9	0	0	0	111.2	I147 I156 Q157 Q164 V165 M168 L179 F183	I147-L160 HydrophobicContact CD1-CD2 4.29Å; I156-L160 HydrophobicContact CG2-CD1 3.82Å; I156-L160 HydrophobicContact CG2-CG 4.42Å; I156-L160 WeakPolarHBondContact O-CG 3.3Å; I156-L160 PolarHBondContact O-N 2.98Å; Q157-L160 PolarHBondContact O-N 3.49Å; L160-Q164 VanDerWaalsContact O-CA 3.31Å; L160-Q164 WeakPolarHBondContact O-CA 3.49Å; L160-Q164 PolarHBondContact O-N 3.16Å; L160-V165 HydrophobicContact CD2-CG1 3.79Å; L160-M168 HydrophobicContact CD2-CE 4.18Å; L160-L179 HydrophobicContact CD1-CD1 3.82Å; L160-L179 HydrophobicContact CD2-CD1 4.26Å; L160-F183 HydrophobicContact CD1-CB 3.56Å; L160-F183 HydrophobicContact CD1-CD2 4.47Å; L160-F183 HydrophobicContact CD1-CG 4.03Å
161	S	93.6	Very high	88.5	Confident	68 Å²	68	36.5 Å²	36.5	48%	0.476	20%	0.195	S	C	.	.	H	α-helix	trans	-69.5	-37.8	179.3	-59.3	0	0	0	0	113.6	Q157 H158 Q164	Q157-S161 PolarHBondContact NE2-OG 3.1Å; Q157-S161 WeakPolarHBondContact O-CB 3.49Å; Q157-S161 PolarHBondContact O-N 3.34Å; Q157-S161 PolarHBondContact O-OG 2.68Å; H158-S161 PolarHBondContact O-N 2.81Å; S161-Q164 WeakPolarHBondContact O-CG 3.47Å
162	Q	93.8	Very high	89.1	Confident	25 Å²	25	35.5 Å²	35.5	12%	0.117	19%	0.192	C	C	.	.	H	α-helix	trans	-77	-41.3	-178	-167	-178.5	59.8	0	0	112	H158 Y231 Y476 K477	H158-Q162 VanDerWaalsContact O-CB 3.28Å; H158-Q162 WeakPolarHBondContact O-CB 3.31Å; H158-Q162 PolarHBondContact O-N 2.69Å; Q162-Y231 PolarHBondContact OE1-OH 3.29Å; Q162-Y476 HydrophobicContact CG-CD1 4.09Å; Q162-Y476 HydrophobicContact CG-CE1 3.93Å; Q162-Y476 WeakPolarHBondContact O-CE1 3.36Å; Q162-Y476 PolarHBondContact O-OH 2.8Å; Q162-K477 HydrophobicContact CG-CB 4.25Å; Q162-K477 HydrophobicContact CG-CD 4.35Å; Q162-K477 PolarHBondContact O-NZ 3.22Å; Q162-K477 VanDerWaalsContact O-NZ 3.15Å
163	T	92.4	Very high	89.6	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.012	17%	0.169	C	C	.	.	H	α-helix	trans	-79.3	-29.5	177.3	60.2	0	0	0	0	113.5	F119 V145 I159 V165 Y231 Y476	F119-T163 HydrophobicContact CD2-CG2 4.49Å; F119-T163 WeakPolarHBondContact CD2-O 3.25Å; F119-T163 HydrophobicContact CE2-CG2 4.29Å; F119-T163 VanDerWaalsContact CE2-O 3.3Å; F119-T163 WeakPolarHBondContact CE2-O 3.44Å; F119-T163 HydrophobicContact CZ-CG2 4.43Å; V145-T163 HydrophobicContact CG1-CG2 4.13Å; V145-T163 HydrophobicContact CG2-CG2 4.11Å; I159-T163 WeakPolarHBondContact O-CB 3.36Å; I159-T163 WeakPolarHBondContact O-CG2 3.18Å; I159-T163 PolarHBondContact O-N 3.07Å; I159-T163 PolarHBondContact O-OG1 2.88Å; T163-V165 PolarHBondContact O-N 2.94Å; T163-V165 WeakPolarHBondContact OG1-CG1 3.38Å; T163-V165 PolarHBondContact OG1-N 3.36Å; T163-Y231 HydrophobicContact CG2-CE2 3.93Å; T163-Y231 VanDerWaalsContact CG2-OH 3.22Å; T163-Y231 WeakPolarHBondContact CG2-OH 3.42Å; T163-Y476 HydrophobicContact CG2-CE1 4Å
164	Q	90.8	Very high	89.7	Confident	125 Å²	125	32.2 Å²	32.2	58%	0.584	16%	0.163	S	C	*	.			trans	53	31.3	-168.7	-58	-172.6	-25.6	0	0	112.9	L160 S161 N166 S186	L160-Q164 VanDerWaalsContact O-CA 3.31Å; L160-Q164 WeakPolarHBondContact O-CA 3.49Å; L160-Q164 PolarHBondContact O-N 3.16Å; S161-Q164 WeakPolarHBondContact O-CG 3.47Å; Q164-N166 PolarHBondContact O-N 2.97Å; Q164-S186 WeakPolarHBondContact O-CB 3.43Å
165	V	90.6	Very high	89.8	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.136	C	C	.	.			trans	-56.1	122.8	-177.1	59.7	0	0	0	0	111.5	F119 L160 T163 C167 M168 L187	F119-V165 HydrophobicContact CB-CB 3.96Å; F119-V165 HydrophobicContact CB-CG2 3.75Å; L160-V165 HydrophobicContact CD2-CG1 3.79Å; T163-V165 PolarHBondContact O-N 2.94Å; T163-V165 WeakPolarHBondContact OG1-CG1 3.38Å; T163-V165 PolarHBondContact OG1-N 3.36Å; V165-C167 WeakPolarHBondContact CG2-O 3.44Å; V165-M168 HydrophobicContact CG1-CE 4.18Å; V165-L187 WeakPolarHBondContact O-CD2 3.39Å
166	N	87.8	Confident	90.1	Very high	36 Å²	36	25.8 Å²	25.8	19%	0.193	13%	0.13	C	C	.	.			trans	-99.2	-13.8	-177.3	70.9	-23.4	0	0	0	113.9	Q164 S186 E188 Y189	Q164-N166 PolarHBondContact O-N 2.97Å; N166-S186 WeakPolarHBondContact CA-O 3.45Å; N166-S186 WeakPolarHBondContact CB-O 3.17Å; N166-E188 HydrophobicContact CB-CB 4.27Å; N166-E188 HydrophobicContact CB-CG 4.15Å; N166-E188 PolarHBondContact ND2-OE2 3.18Å; N166-E188 PolarHBondContact O-N 2.83Å; N166-Y189 PolarHBondContact O-N 3.05Å
167	C	89.4	Confident	90.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.4	175.4	-177.1	0	0	0	0	111.9	V110 V120 G121 V165 Y189	V110-C167 HydrophobicContact CB-CB 4.36Å; V110-C167 HydrophobicContact CG1-CB 3.87Å; V110-C167 HydrophobicContact CG2-CB 3.49Å; V110-C167 VanDerWaalsContact CG2-CB 3.49Å; V110-C167 VanDerWaalsContact CG2-SG 3.56Å; V120-C167 HydrophobicContact CG2-CB 4.31Å; G121-C167 PolarHBondContact N-O 3.11Å; V165-C167 WeakPolarHBondContact CG2-O 3.44Å; C167-Y189 WeakPolarHBondContact CA-O 3.4Å; C167-Y189 HydrophobicContact CB-CD2 4.37Å
168	M	91.8	Very high	90	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.2	177.1	-173	67.7	58.6	0	0	112	G121 I147 L160 V165 L179 L187 Y189 L190 I191	G121-M168 VanDerWaalsContact CA-SD 3.51Å; I147-M168 HydrophobicContact CD1-CE 3.61Å; I147-M168 HydrophobicContact CD1-SD 4.44Å; L160-M168 HydrophobicContact CD2-CE 4.18Å; V165-M168 HydrophobicContact CG1-CE 4.18Å; M168-L179 HydrophobicContact CB-CD2 4.17Å; M168-L179 HydrophobicContact CE-CD2 3.92Å; M168-L179 HydrophobicContact CG-CD2 3.56Å; M168-L179 HydrophobicContact SD-CD2 4.25Å; M168-L187 HydrophobicContact CB-CD2 3.76Å; M168-Y189 PolarHBondContact N-O 3.42Å; M168-Y189 VanDerWaalsContact N-O 3.08Å; M168-L190 HydrophobicContact CB-CD1 4.15Å; M168-L190 HydrophobicContact CG-CD1 4.46Å; M168-L190 WeakPolarHBondContact O-CA 3.48Å; M168-I191 PolarHBondContact O-N 3.01Å
169	L	89.9	Confident	89.9	Confident	4 Å²	4	25 Å²	25	2%	0.021	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	114.7	159.6	-175.4	69.1	0	0	0	109.5	G121 I122 Y123 M133 I191 V193 F215	G121-L169 PolarHBondContact O-N 3.09Å; I122-L169 HydrophobicContact CG1-CB 4.38Å; I122-L169 HydrophobicContact CG2-CB 4.28Å; I122-L169 HydrophobicContact CG2-CD2 4.08Å; Y123-L169 PolarHBondContact N-O 2.98Å; M133-L169 HydrophobicContact CB-CD2 3.51Å; M133-L169 HydrophobicContact CE-CB 4.16Å; M133-L169 HydrophobicContact CE-CD1 4.06Å; M133-L169 HydrophobicContact CE-CD2 4.2Å; M133-L169 HydrophobicContact CE-CG 4.39Å; M133-L169 HydrophobicContact CG-CB 4.37Å; M133-L169 HydrophobicContact CG-CD2 3.7Å; L169-I191 CarbonylContact C-O 3.34Å; L169-I191 WeakPolarHBondContact CA-O 3.38Å; L169-I191 HydrophobicContact CD1-CB 3.75Å; L169-I191 HydrophobicContact CD1-CG2 3.54Å; L169-V193 HydrophobicContact CD1-CG2 3.59Å; L169-V193 HydrophobicContact CD2-CG2 3.96Å; L169-V193 HydrophobicContact CG-CG2 3.86Å; L169-F215 HydrophobicContact CD1-CD2 4.03Å; L169-F215 HydrophobicContact CD1-CE2 3.98Å; L169-F215 HydrophobicContact CD2-CE2 4.08Å
170	C	89.5	Confident	89.7	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.7	170.8	-77.5	0	0	0	0	111.1	Y123 E175 A176 L190 I191 I192 V193	Y123-C170 WeakPolarHBondContact O-CA 3.41Å; C170-E175 HydrophobicContact CB-CB 3.95Å; C170-A176 HydrophobicContact CB-CB 4.16Å; C170-L190 HydrophobicContact CB-CD1 4.02Å; C170-I191 PolarHBondContact N-O 3.17Å; C170-I192 WeakPolarHBondContact O-CA 3.36Å; C170-V193 PolarHBondContact O-N 3.05Å
171	Y	84.3	Confident	89.5	Confident	79 Å²	79	29.3 Å²	29.3	31%	0.31	15%	0.15	S	C	.	.	S	Bend	trans	-70.1	-40.1	-178.9	-176.1	-108.7	0	0	0	113.4	Y123 P125 V193 S194	Y123-Y171 PolarHBondContact O-N 2.93Å; P125-Y171 HydrophobicContact CG-CD1 3.8Å; P125-Y171 HydrophobicContact CG-CD2 4.32Å; P125-Y171 HydrophobicContact CG-CE1 4.09Å; P125-Y171 HydrophobicContact CG-CG 3.92Å; Y171-V193 HydrophobicContact CD2-CB 4.12Å; Y171-V193 HydrophobicContact CD2-CG1 3.88Å; Y171-V193 HydrophobicContact CE2-CG1 3.91Å; Y171-V193 WeakPolarHBondContact O-CB 3.38Å; Y171-S194 WeakPolarHBondContact O-CB 3.48Å; Y171-S194 PolarHBondContact O-N 3.3Å
172	S	85.9	Confident	89.4	Confident	11 Å²	11	31.5 Å²	31.5	8%	0.077	15%	0.151	C	C	.	.	S	Bend	trans	-141.7	-179.9	175	81.6	0	0	0	0	111.7	N174 E175 A176 D196	S172-N174 PolarHBondContact O-N 3Å; S172-N174 WeakPolarHBondContact OG-CB 3.41Å; S172-N174 PolarHBondContact OG-N 2.94Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; S172-N174 PolarHBondContact OG-ND2 3.42Å; S172-N174 VanDerWaalsContact OG-ND2 3.11Å; S172-E175 WeakPolarHBondContact CA-OE2 3.21Å; S172-E175 VanDerWaalsContact CB-OE2 3.27Å; S172-E175 WeakPolarHBondContact CB-OE2 3.31Å; S172-E175 PolarHBondContact N-OE2 3.47Å; S172-E175 PolarHBondContact O-N 2.9Å; S172-E175 PolarHBondContact OG-OE2 3.28Å; S172-A176 PolarHBondContact O-N 3.06Å; S172-D196 VanDerWaalsContact CB-OD2 3.24Å; S172-D196 WeakPolarHBondContact CB-OD2 3.33Å; S172-D196 PolarHBondContact OG-OD2 2.67Å
173	G	84.7	Confident	89.3	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-20.1	172.4	0	0	0	0	0	112.8	L177 D196	G173-L177 WeakPolarHBondContact O-CG 3.33Å; G173-L177 PolarHBondContact O-N 3.39Å; G173-D196 WeakPolarHBondContact CA-OD1 3.19Å; G173-D196 PolarHBondContact N-OD1 2.89Å; G173-D196 PolarHBondContact N-OD2 3.2Å
174	N	87.3	Confident	89.2	Confident	70 Å²	70	38.6 Å²	38.6	37%	0.374	18%	0.184	S	C	.	.	H	α-helix	trans	-68.8	-50	175	-60.8	-84.6	0	0	0	112.2	S172 A176 L177 H178 D196 K198	S172-N174 PolarHBondContact O-N 3Å; S172-N174 WeakPolarHBondContact OG-CB 3.41Å; S172-N174 PolarHBondContact OG-N 2.94Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; S172-N174 PolarHBondContact OG-ND2 3.42Å; S172-N174 VanDerWaalsContact OG-ND2 3.11Å; N174-A176 VanDerWaalsContact C-N 3.27Å; N174-A176 PolarHBondContact O-N 3.2Å; N174-L177 PolarHBondContact O-N 2.95Å; N174-H178 VanDerWaalsContact O-CB 3.22Å; N174-H178 WeakPolarHBondContact O-CB 3.31Å; N174-H178 PolarHBondContact O-N 3.38Å; N174-D196 PolarHBondContact ND2-OD2 3.44Å; N174-K198 WeakPolarHBondContact OD1-CD 3.48Å; N174-K198 WeakPolarHBondContact OD1-CE 3.26Å; N174-K198 PolarHBondContact OD1-NZ 3.13Å
175	E	88.4	Confident	89.2	Confident	37 Å²	37	33.7 Å²	33.7	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-38.7	175.4	-72.8	81.6	-179.6	0	0	111.2	Y123 C170 S172 H178 L179	Y123-E175 HydrophobicContact CD1-CB 3.72Å; Y123-E175 HydrophobicContact CD1-CG 4.16Å; Y123-E175 HydrophobicContact CE1-CB 3.84Å; Y123-E175 HydrophobicContact CE1-CG 4.1Å; C170-E175 HydrophobicContact CB-CB 3.95Å; S172-E175 WeakPolarHBondContact CA-OE2 3.21Å; S172-E175 VanDerWaalsContact CB-OE2 3.27Å; S172-E175 WeakPolarHBondContact CB-OE2 3.31Å; S172-E175 PolarHBondContact N-OE2 3.47Å; S172-E175 PolarHBondContact O-N 2.9Å; S172-E175 PolarHBondContact OG-OE2 3.28Å; E175-H178 PolarHBondContact O-N 3.14Å; E175-L179 VanDerWaalsContact O-CB 3.3Å; E175-L179 WeakPolarHBondContact O-CB 3.21Å; E175-L179 PolarHBondContact O-N 3.35Å
176	A	89.9	Confident	89.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-51.9	177.1	0	0	0	0	0	113.1	C170 S172 N174 H178 L179 L180 L190 I192 V202	C170-A176 HydrophobicContact CB-CB 4.16Å; S172-A176 PolarHBondContact O-N 3.06Å; N174-A176 VanDerWaalsContact C-N 3.27Å; N174-A176 PolarHBondContact O-N 3.2Å; A176-H178 VanDerWaalsContact C-N 3.35Å; A176-L179 WeakPolarHBondContact O-CB 3.21Å; A176-L179 PolarHBondContact O-N 3.05Å; A176-L180 WeakPolarHBondContact O-CB 3.49Å; A176-L180 VanDerWaalsContact O-CG 3.29Å; A176-L180 WeakPolarHBondContact O-CG 3.36Å; A176-L180 PolarHBondContact O-N 3.43Å; A176-L190 HydrophobicContact CB-CD1 4.26Å; A176-L190 HydrophobicContact CB-CD2 3.62Å; A176-I192 HydrophobicContact CB-CD1 4.17Å; A176-V202 HydrophobicContact CB-CG1 4.4Å; A176-V202 HydrophobicContact CB-CG2 3.62Å
177	L	90	Very high	89.3	Confident	10 Å²	10	34.8 Å²	34.8	5%	0.052	17%	0.173	C	C	.	.	H	α-helix	trans	-65.3	-39.1	176.1	-69	169.7	0	0	0	111.7	G173 N174 L179 L180 D181 K198 E201 V202	G173-L177 WeakPolarHBondContact O-CG 3.33Å; G173-L177 PolarHBondContact O-N 3.39Å; N174-L177 PolarHBondContact O-N 2.95Å; L177-L179 PolarHBondContact O-N 3.21Å; L177-L180 PolarHBondContact O-N 2.83Å; L177-D181 WeakPolarHBondContact O-CB 3.31Å; L177-D181 VanDerWaalsContact O-CG 3.31Å; L177-D181 PolarHBondContact O-N 3.09Å; L177-K198 HydrophobicContact CD1-CB 3.96Å; L177-K198 HydrophobicContact CD1-CD 3.69Å; L177-K198 HydrophobicContact CD1-CG 4.34Å; L177-E201 HydrophobicContact CD1-CB 4.21Å; L177-E201 HydrophobicContact CD1-CG 4.22Å; L177-E201 WeakPolarHBondContact CD1-OE1 3.27Å; L177-E201 WeakPolarHBondContact CD1-OE2 3.46Å; L177-V202 HydrophobicContact CD1-CG2 4.48Å; L177-V202 HydrophobicContact CD2-CB 4.41Å; L177-V202 HydrophobicContact CD2-CG2 3.75Å; L177-V202 HydrophobicContact CG-CG2 3.63Å
178	H	90.2	Very high	89.1	Confident	54 Å²	54	39.4 Å²	39.4	25%	0.25	20%	0.195	C	C	.	.	H	α-helix	trans	-58	-36.8	175.6	-174.2	-119.3	0	0	0	111.9	Y123 N174 E175 A176 K182 F183	Y123-H178 AromaticContact CZ-ND1 3.86Å; Y123-H178 PolarHBondContact OH-CE1 3.39Å; Y123-H178 PolarHBondContact OH-ND1 3.35Å; N174-H178 VanDerWaalsContact O-CB 3.22Å; N174-H178 WeakPolarHBondContact O-CB 3.31Å; N174-H178 PolarHBondContact O-N 3.38Å; E175-H178 PolarHBondContact O-N 3.14Å; A176-H178 VanDerWaalsContact C-N 3.35Å; H178-K182 PolarHBondContact CD2-NZ 3.39Å; H178-K182 WeakPolarHBondContact NE2-CD 3.33Å; H178-K182 WeakPolarHBondContact NE2-CE 3.34Å; H178-K182 PolarHBondContact NE2-NZ 3.02Å; H178-K182 WeakPolarHBondContact O-CB 3.27Å; H178-F183 WeakPolarHBondContact O-CE2 3.46Å
179	L	90.1	Very high	88.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-74.7	-42.6	178	-166.9	65.9	0	0	0	112.8	I156 L160 M168 E175 A176 L177 F183 L187	I156-L179 HydrophobicContact CG2-CD1 4.21Å; L160-L179 HydrophobicContact CD1-CD1 3.82Å; L160-L179 HydrophobicContact CD2-CD1 4.26Å; M168-L179 HydrophobicContact CB-CD2 4.17Å; M168-L179 HydrophobicContact CE-CD2 3.92Å; M168-L179 HydrophobicContact CG-CD2 3.56Å; M168-L179 HydrophobicContact SD-CD2 4.25Å; E175-L179 VanDerWaalsContact O-CB 3.3Å; E175-L179 WeakPolarHBondContact O-CB 3.21Å; E175-L179 PolarHBondContact O-N 3.35Å; A176-L179 WeakPolarHBondContact O-CB 3.21Å; A176-L179 PolarHBondContact O-N 3.05Å; L177-L179 PolarHBondContact O-N 3.21Å; L179-F183 HydrophobicContact CD1-CD2 4.2Å; L179-L187 HydrophobicContact CD2-CD1 3.59Å; L179-L187 HydrophobicContact CG-CD1 3.98Å
180	L	90.1	Very high	88.4	Confident	17 Å²	17	40.7 Å²	40.7	9%	0.089	20%	0.2	C	C	.	.	H	α-helix	trans	-84.4	-26.5	-173.6	-65.5	169.3	0	0	0	114.1	A176 L177 L187 L190 V202 H206 V210	A176-L180 WeakPolarHBondContact O-CB 3.49Å; A176-L180 VanDerWaalsContact O-CG 3.29Å; A176-L180 WeakPolarHBondContact O-CG 3.36Å; A176-L180 PolarHBondContact O-N 3.43Å; L177-L180 PolarHBondContact O-N 2.83Å; L180-L187 HydrophobicContact CD2-CD1 3.97Å; L180-L190 HydrophobicContact CD1-CD2 4.39Å; L180-V202 HydrophobicContact CD1-CG1 3.99Å; L180-H206 HydrophobicContact CD1-CB 3.95Å; L180-V210 HydrophobicContact CD2-CG2 3.91Å
181	D	90	Very high	88	Confident	74 Å²	74	41.2 Å²	41.2	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-88.6	-22.7	-177.8	-70	-4.9	0	0	0	113.6	L177 R205 H206	L177-D181 WeakPolarHBondContact O-CB 3.31Å; L177-D181 VanDerWaalsContact O-CG 3.31Å; L177-D181 PolarHBondContact O-N 3.09Å; D181-R205 IonicContact OD1-CZ 3.69Å; D181-R205 IonicContact OD1-NH1 3.26Å; D181-R205 IonicContact OD1-NH2 2.84Å; D181-R205 PolarHBondContact OD1-NH2 2.97Å; D181-R205 IonicContact OD2-CZ 2.71Å; D181-R205 IonicContact OD2-NH1 3.42Å; D181-R205 PolarHBondContact OD2-NH1 2.85Å; D181-R205 IonicContact OD2-NH2 3.04Å; D181-R205 PolarHBondContact OD2-NH2 3.38Å; D181-H206 IonicContact OD1-CD2 2.99Å; D181-H206 IonicContact OD1-CE1 3.57Å; D181-H206 IonicContact OD1-NE2 2.75Å; D181-H206 PolarHBondContact OD1-NE2 3.27Å
182	K	90.4	Very high	87.7	Confident	115 Å²	115	37.5 Å²	37.5	50%	0.5	19%	0.188	S	C	.	.	H	α-helix	trans	-110.6	-17.2	-173.7	-70.2	-168.8	-177.9	174.5	0	115.5	H178	H178-K182 PolarHBondContact CD2-NZ 3.39Å; H178-K182 WeakPolarHBondContact NE2-CD 3.33Å; H178-K182 WeakPolarHBondContact NE2-CE 3.34Å; H178-K182 PolarHBondContact NE2-NZ 3.02Å; H178-K182 WeakPolarHBondContact O-CB 3.27Å
183	F	92.4	Very high	87	Confident	13 Å²	13	38.5 Å²	38.5	6%	0.057	19%	0.193	C	C	.	.			trans	-131.2	133.5	-167.9	-52.9	-69.9	0	0	0	112.8	N153 I156 Q157 L160 H178 L179 S185	N153-F183 HydrophobicContact CB-CE1 3.83Å; N153-F183 HydrophobicContact CB-CZ 4.25Å; N153-F183 VanDerWaalsContact O-CE1 3.27Å; N153-F183 WeakPolarHBondContact O-CE1 2.92Å; I156-F183 HydrophobicContact CB-CD1 4.39Å; I156-F183 HydrophobicContact CB-CE1 3.94Å; I156-F183 HydrophobicContact CB-CE2 4.28Å; I156-F183 HydrophobicContact CB-CZ 3.87Å; I156-F183 HydrophobicContact CD1-CE2 4.26Å; I156-F183 HydrophobicContact CD1-CZ 3.99Å; I156-F183 HydrophobicContact CG2-CD1 4.12Å; I156-F183 HydrophobicContact CG2-CD2 3.82Å; I156-F183 HydrophobicContact CG2-CE1 4.03Å; I156-F183 HydrophobicContact CG2-CE2 3.71Å; I156-F183 HydrophobicContact CG2-CG 4.02Å; I156-F183 HydrophobicContact CG2-CZ 3.82Å; Q157-F183 HydrophobicContact CB-CD1 4.07Å; Q157-F183 VanDerWaalsContact OE1-CA 3.28Å; L160-F183 HydrophobicContact CD1-CB 3.56Å; L160-F183 HydrophobicContact CD1-CD2 4.47Å; L160-F183 HydrophobicContact CD1-CG 4.03Å; H178-F183 WeakPolarHBondContact O-CE2 3.46Å; L179-F183 HydrophobicContact CD1-CD2 4.2Å; F183-S185 PolarHBondContact O-N 3.25Å; F183-S185 PolarHBondContact O-OG 3.41Å
184	E	90.6	Very high	86.5	Confident	163 Å²	163	40.8 Å²	40.8	76%	0.762	21%	0.209	S	C	*	.			trans	-68.3	128.4	167.1	-65	-170.8	166.2	0	0	108.9	Q157	Q157-E184 PolarHBondContact NE2-O 3.07Å
185	S	90.6	Very high	85.6	Confident	21 Å²	21	44.3 Å²	44.3	15%	0.147	22%	0.218	C	C	.	.			trans	-155.9	144.9	-170.1	55.1	0	0	0	0	112.6	F183 L187 K209	F183-S185 PolarHBondContact O-N 3.25Å; F183-S185 PolarHBondContact O-OG 3.41Å; S185-L187 PolarHBondContact O-N 3.24Å; S185-K209 PolarHBondContact O-NZ 2.82Å
186	S	89.5	Confident	85.1	Confident	58 Å²	58	44.1 Å²	44.1	41%	0.406	22%	0.218	S	C	.	.			trans	-78.3	17.5	175.7	-53	0	0	0	0	113.6	Q164 N166 E188	Q164-S186 WeakPolarHBondContact O-CB 3.43Å; N166-S186 WeakPolarHBondContact CA-O 3.45Å; N166-S186 WeakPolarHBondContact CB-O 3.17Å; S186-E188 PolarHBondContact O-N 2.82Å
187	L	89.9	Confident	84.5	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	26%	0.257	C	S	.	.			trans	-66.3	119.3	-174.3	-68.1	169.7	0	0	0	111.5	V165 M168 L179 L180 S185	V165-L187 WeakPolarHBondContact O-CD2 3.39Å; M168-L187 HydrophobicContact CB-CD2 3.76Å; L179-L187 HydrophobicContact CD2-CD1 3.59Å; L179-L187 HydrophobicContact CG-CD1 3.98Å; L180-L187 HydrophobicContact CD2-CD1 3.97Å; S185-L187 PolarHBondContact O-N 3.24Å
188	E	85.7	Confident	84.3	Confident	97 Å²	97	53.5 Å²	53.5	45%	0.453	27%	0.269	S	S	.	.			trans	-104.4	-28.7	171.5	-65.3	174.8	149.4	0	0	110.5	N166 S186 L211	N166-E188 HydrophobicContact CB-CB 4.27Å; N166-E188 HydrophobicContact CB-CG 4.15Å; N166-E188 PolarHBondContact ND2-OE2 3.18Å; N166-E188 PolarHBondContact O-N 2.83Å; S186-E188 PolarHBondContact O-N 2.82Å; E188-L211 PolarHBondContact O-N 3.23Å
189	Y	84.2	Confident	83.7	Confident	31 Å²	31	51 Å²	51	12%	0.122	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.9	-172.7	-47.9	-72.1	0	0	0	111.7	T109 V110 N166 C167 M168 L211 Y213	T109-Y189 VanDerWaalsContact O-CZ 3.27Å; T109-Y189 PolarHBondContact O-OH 2.85Å; T109-Y189 VanDerWaalsContact O-OH 3.1Å; V110-Y189 HydrophobicContact CB-CD2 4.43Å; V110-Y189 HydrophobicContact CG2-CD2 3.91Å; V110-Y189 HydrophobicContact CG2-CG 4.23Å; N166-Y189 PolarHBondContact O-N 3.05Å; C167-Y189 WeakPolarHBondContact CA-O 3.4Å; C167-Y189 HydrophobicContact CB-CD2 4.37Å; M168-Y189 PolarHBondContact N-O 3.42Å; M168-Y189 VanDerWaalsContact N-O 3.08Å; Y189-L211 HydrophobicContact CD1-CB 4.17Å; Y189-L211 HydrophobicContact CD1-CD1 4.22Å; Y189-L211 HydrophobicContact CE1-CD1 3.86Å; Y189-Y213 AromaticContact CD1-CE2 4Å; Y189-Y213 HydrophobicContact CD1-CE2 4Å
190	L	83.4	Confident	83.4	Confident	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.7	174.3	-179.8	75.7	0	0	0	109.4	M168 C170 A176 L180 I192 V202 V210 L211 V212 Y213	M168-L190 HydrophobicContact CB-CD1 4.15Å; M168-L190 HydrophobicContact CG-CD1 4.46Å; M168-L190 WeakPolarHBondContact O-CA 3.48Å; C170-L190 HydrophobicContact CB-CD1 4.02Å; A176-L190 HydrophobicContact CB-CD1 4.26Å; A176-L190 HydrophobicContact CB-CD2 3.62Å; L180-L190 HydrophobicContact CD1-CD2 4.39Å; L190-I192 HydrophobicContact CD2-CD1 3.81Å; L190-I192 HydrophobicContact CD2-CG1 3.86Å; L190-I192 HydrophobicContact CG-CD1 4.48Å; L190-I192 HydrophobicContact CG-CG1 3.99Å; L190-V202 HydrophobicContact CD2-CG1 3.64Å; L190-V210 HydrophobicContact CB-CG1 3.73Å; L190-L211 PolarHBondContact N-O 3.43Å; L190-V212 HydrophobicContact CD2-CG1 4.45Å; L190-V212 HydrophobicContact CD2-CG2 4.32Å; L190-V212 CarbonylContact O-C 2.99Å; L190-V212 WeakPolarHBondContact O-CA 3.27Å; L190-Y213 PolarHBondContact O-N 2.95Å
191	I	81.1	Confident	83.2	Confident	11 Å²	11	57.1 Å²	57.1	6%	0.056	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.2	172.8	-54.3	169.4	0	0	0	106.5	L106 M133 M168 L169 C170 Y213 F215	L106-I191 HydrophobicContact CD2-CD1 4.01Å; M133-I191 HydrophobicContact CE-CD1 3.59Å; M168-I191 PolarHBondContact O-N 3.01Å; L169-I191 CarbonylContact C-O 3.34Å; L169-I191 WeakPolarHBondContact CA-O 3.38Å; L169-I191 HydrophobicContact CD1-CB 3.75Å; L169-I191 HydrophobicContact CD1-CG2 3.54Å; C170-I191 PolarHBondContact N-O 3.17Å; I191-Y213 WeakPolarHBondContact CA-O 3.42Å; I191-F215 HydrophobicContact CG2-CD2 4.05Å
192	I	76.7	Confident	82.9	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.5	178.7	-51.1	178.9	0	0	0	109.8	C170 A176 L190 S194 V199 V202 V212 Y213	C170-I192 WeakPolarHBondContact O-CA 3.36Å; A176-I192 HydrophobicContact CB-CD1 4.17Å; L190-I192 HydrophobicContact CD2-CD1 3.81Å; L190-I192 HydrophobicContact CD2-CG1 3.86Å; L190-I192 HydrophobicContact CG-CD1 4.48Å; L190-I192 HydrophobicContact CG-CG1 3.99Å; I192-S194 WeakPolarHBondContact CG2-O 3.43Å; I192-V199 HydrophobicContact CD1-CB 4.44Å; I192-V199 HydrophobicContact CD1-CG1 4.23Å; I192-V199 HydrophobicContact CD1-CG2 3.9Å; I192-V199 HydrophobicContact CG2-CG2 4.01Å; I192-V202 HydrophobicContact CD1-CG2 4.49Å; I192-V212 HydrophobicContact CD1-CG1 3.94Å; I192-V212 HydrophobicContact CG1-CG1 4.25Å; I192-Y213 PolarHBondContact N-O 3.22Å
193	V	72.7	Confident	82.6	Confident	32 Å²	32	52 Å²	52	19%	0.194	26%	0.26	C	S	.	.	S	Bend	trans	-71.6	-55.9	-179.5	167.6	0	0	0	0	111.8	E129 L169 C170 Y171	E129-V193 HydrophobicContact CB-CB 4.29Å; E129-V193 HydrophobicContact CB-CG1 3.65Å; E129-V193 HydrophobicContact CB-CG2 3.67Å; E129-V193 HydrophobicContact CG-CG1 3.64Å; E129-V193 HydrophobicContact CG-CG2 4.44Å; L169-V193 HydrophobicContact CD1-CG2 3.59Å; L169-V193 HydrophobicContact CD2-CG2 3.96Å; L169-V193 HydrophobicContact CG-CG2 3.86Å; C170-V193 PolarHBondContact O-N 3.05Å; Y171-V193 HydrophobicContact CD2-CB 4.12Å; Y171-V193 HydrophobicContact CD2-CG1 3.88Å; Y171-V193 HydrophobicContact CE2-CG1 3.91Å; Y171-V193 WeakPolarHBondContact O-CB 3.38Å
194	S	73.3	Confident	82.3	Confident	47 Å²	47	56 Å²	56	33%	0.329	29%	0.291	S	S	.	.	S	Bend	trans	-101.8	121.8	-174.6	-167.7	0	0	0	0	110.3	Y171 I192 D196	Y171-S194 WeakPolarHBondContact O-CB 3.48Å; Y171-S194 PolarHBondContact O-N 3.3Å; I192-S194 WeakPolarHBondContact CG2-O 3.43Å; S194-D196 PolarHBondContact O-N 2.79Å
195	Y	69.4	Low	82.1	Confident	145 Å²	145	53.8 Å²	53.8	57%	0.569	28%	0.275	S	S	*	.			trans	-74.1	108.4	171.9	-170.9	-93.7	0	0	0	110.1	V199 E200	Y195-V199 HydrophobicContact CD2-CB 4.03Å; Y195-V199 HydrophobicContact CD2-CG1 3.88Å; Y195-V199 HydrophobicContact CD2-CG2 4.18Å; Y195-V199 HydrophobicContact CE2-CB 3.93Å; Y195-V199 HydrophobicContact CE2-CG1 3.72Å; Y195-E200 WeakPolarHBondContact CE2-OE1 3.47Å; Y195-E200 WeakPolarHBondContact OH-CG 3.37Å; Y195-E200 PolarHBondContact OH-OE1 3.38Å
196	D	77.9	Confident	82	Confident	32 Å²	32	54.3 Å²	54.3	17%	0.171	28%	0.275	C	S	.	.			trans	-119.3	174.6	173.2	73.2	15.5	0	0	0	111.5	S172 G173 N174 S194 K198 V199	S172-D196 VanDerWaalsContact CB-OD2 3.24Å; S172-D196 WeakPolarHBondContact CB-OD2 3.33Å; S172-D196 PolarHBondContact OG-OD2 2.67Å; G173-D196 WeakPolarHBondContact CA-OD1 3.19Å; G173-D196 PolarHBondContact N-OD1 2.89Å; G173-D196 PolarHBondContact N-OD2 3.2Å; N174-D196 PolarHBondContact ND2-OD2 3.44Å; S194-D196 PolarHBondContact O-N 2.79Å; D196-K198 PolarHBondContact O-N 2.82Å; D196-K198 VanDerWaalsContact O-N 3.11Å; D196-K198 VanDerWaalsContact OD1-CA 3.3Å; D196-K198 WeakPolarHBondContact OD1-CA 3.47Å; D196-K198 WeakPolarHBondContact OD1-CB 3.5Å; D196-K198 PolarHBondContact OD1-N 2.83Å; D196-V199 WeakPolarHBondContact O-CB 3.23Å; D196-V199 PolarHBondContact O-N 2.84Å; D196-V199 VanDerWaalsContact O-N 3.14Å; D196-V199 PolarHBondContact OD1-N 3.12Å
197	V	77.4	Confident	81.5	Confident	133 Å²	133	53.4 Å²	53.4	81%	0.806	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.3	179	-63.6	0	0	0	0	114
198	K	84	Confident	81.1	Confident	74 Å²	74	59.2 Å²	59.2	32%	0.322	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-10.4	179.3	-60.1	-157.8	-173	170.8	0	113	N174 L177 D196 E200 E201 V202	N174-K198 WeakPolarHBondContact OD1-CD 3.48Å; N174-K198 WeakPolarHBondContact OD1-CE 3.26Å; N174-K198 PolarHBondContact OD1-NZ 3.13Å; L177-K198 HydrophobicContact CD1-CB 3.96Å; L177-K198 HydrophobicContact CD1-CD 3.69Å; L177-K198 HydrophobicContact CD1-CG 4.34Å; D196-K198 PolarHBondContact O-N 2.82Å; D196-K198 VanDerWaalsContact O-N 3.11Å; D196-K198 VanDerWaalsContact OD1-CA 3.3Å; D196-K198 WeakPolarHBondContact OD1-CA 3.47Å; D196-K198 WeakPolarHBondContact OD1-CB 3.5Å; D196-K198 PolarHBondContact OD1-N 2.83Å; K198-E200 VanDerWaalsContact C-N 3.26Å; K198-E200 PolarHBondContact O-N 3.02Å; K198-E201 HydrophobicContact CB-CB 4.37Å; K198-E201 CarbonylContact O-C 3.53Å; K198-E201 WeakPolarHBondContact O-CA 3.44Å; K198-E201 WeakPolarHBondContact O-CB 3.49Å; K198-E201 PolarHBondContact O-N 3.04Å; K198-V202 WeakPolarHBondContact O-CG2 3.35Å; K198-V202 PolarHBondContact O-N 3.27Å
199	V	78.7	Confident	80.8	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.012	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-38.7	170.6	174	0	0	0	0	111.6	I192 Y195 D196 K203	I192-V199 HydrophobicContact CD1-CB 4.44Å; I192-V199 HydrophobicContact CD1-CG1 4.23Å; I192-V199 HydrophobicContact CD1-CG2 3.9Å; I192-V199 HydrophobicContact CG2-CG2 4.01Å; Y195-V199 HydrophobicContact CD2-CB 4.03Å; Y195-V199 HydrophobicContact CD2-CG1 3.88Å; Y195-V199 HydrophobicContact CD2-CG2 4.18Å; Y195-V199 HydrophobicContact CE2-CB 3.93Å; Y195-V199 HydrophobicContact CE2-CG1 3.72Å; D196-V199 WeakPolarHBondContact O-CB 3.23Å; D196-V199 PolarHBondContact O-N 2.84Å; D196-V199 VanDerWaalsContact O-N 3.14Å; D196-V199 PolarHBondContact OD1-N 3.12Å; V199-K203 WeakPolarHBondContact O-CG 3.28Å; V199-K203 PolarHBondContact O-N 3.12Å; V199-K203 VanDerWaalsContact O-N 3.16Å
200	E	83.2	Confident	80.6	Confident	79 Å²	79	58.8 Å²	58.8	37%	0.369	31%	0.313	S	S	.	.	H	α-helix	trans	-75.3	-26.3	173.9	-53.3	-49.7	134.8	0	0	112.5	Y195 K198 K203 S204	Y195-E200 WeakPolarHBondContact CE2-OE1 3.47Å; Y195-E200 WeakPolarHBondContact OH-CG 3.37Å; Y195-E200 PolarHBondContact OH-OE1 3.38Å; K198-E200 VanDerWaalsContact C-N 3.26Å; K198-E200 PolarHBondContact O-N 3.02Å; E200-K203 IonicContact OE1-NZ 2.68Å; E200-K203 PolarHBondContact OE1-NZ 3.14Å; E200-K203 WeakPolarHBondContact OE2-CD 3.45Å; E200-K203 IonicContact OE2-NZ 2.75Å; E200-K203 PolarHBondContact OE2-NZ 3.41Å; E200-S204 WeakPolarHBondContact O-CB 3.46Å; E200-S204 PolarHBondContact O-N 3.24Å; E200-S204 PolarHBondContact O-OG 3.39Å
201	E	85.4	Confident	80.4	Confident	66 Å²	66	63 Å²	63	31%	0.308	34%	0.335	S	S	.	.	H	α-helix	trans	-68	-44.5	171.8	-158.3	-158.5	137.6	0	0	110.9	L177 K198 K203 S204 R205	L177-E201 HydrophobicContact CD1-CB 4.21Å; L177-E201 HydrophobicContact CD1-CG 4.22Å; L177-E201 WeakPolarHBondContact CD1-OE1 3.27Å; L177-E201 WeakPolarHBondContact CD1-OE2 3.46Å; K198-E201 HydrophobicContact CB-CB 4.37Å; K198-E201 CarbonylContact O-C 3.53Å; K198-E201 WeakPolarHBondContact O-CA 3.44Å; K198-E201 WeakPolarHBondContact O-CB 3.49Å; K198-E201 PolarHBondContact O-N 3.04Å; E201-K203 PolarHBondContact O-N 3.47Å; E201-S204 PolarHBondContact O-N 2.85Å; E201-S204 PolarHBondContact O-OG 3.18Å; E201-S204 VanDerWaalsContact O-OG 3.1Å; E201-R205 HydrophobicContact CG-CG 4.42Å; E201-R205 WeakPolarHBondContact O-CB 3.34Å; E201-R205 VanDerWaalsContact O-CG 3.3Å; E201-R205 WeakPolarHBondContact O-CG 3.26Å; E201-R205 PolarHBondContact O-N 3.23Å; E201-R205 WeakPolarHBondContact OE1-CD 3.36Å; E201-R205 IonicContact OE1-CZ 3.5Å; E201-R205 IonicContact OE1-NE 2.8Å; E201-R205 IonicContact OE1-NH1 3.4Å; E201-R205 PolarHBondContact OE1-NH1 3.41Å
202	V	84.3	Confident	80.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-56.6	-50.3	172.8	175	0	0	0	0	110.7	A176 L177 L180 L190 I192 K198 R205 H206 V212	A176-V202 HydrophobicContact CB-CG1 4.4Å; A176-V202 HydrophobicContact CB-CG2 3.62Å; L177-V202 HydrophobicContact CD1-CG2 4.48Å; L177-V202 HydrophobicContact CD2-CB 4.41Å; L177-V202 HydrophobicContact CD2-CG2 3.75Å; L177-V202 HydrophobicContact CG-CG2 3.63Å; L180-V202 HydrophobicContact CD1-CG1 3.99Å; L190-V202 HydrophobicContact CD2-CG1 3.64Å; I192-V202 HydrophobicContact CD1-CG2 4.49Å; K198-V202 WeakPolarHBondContact O-CG2 3.35Å; K198-V202 PolarHBondContact O-N 3.27Å; V202-R205 PolarHBondContact O-N 2.92Å; V202-H206 WeakPolarHBondContact O-CA 3.22Å; V202-H206 WeakPolarHBondContact O-CB 3.39Å; V202-H206 PolarHBondContact O-N 2.83Å; V202-V212 HydrophobicContact CG1-CG2 4.05Å
203	K	83.9	Confident	79.8	Confident	81 Å²	81	68.7 Å²	68.7	35%	0.352	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-45.8	179.3	-70.3	167	-175.9	172.9	0	112.4	V199 E200 E201 G207 V212	V199-K203 WeakPolarHBondContact O-CG 3.28Å; V199-K203 PolarHBondContact O-N 3.12Å; V199-K203 VanDerWaalsContact O-N 3.16Å; E200-K203 IonicContact OE1-NZ 2.68Å; E200-K203 PolarHBondContact OE1-NZ 3.14Å; E200-K203 WeakPolarHBondContact OE2-CD 3.45Å; E200-K203 IonicContact OE2-NZ 2.75Å; E200-K203 PolarHBondContact OE2-NZ 3.41Å; E201-K203 PolarHBondContact O-N 3.47Å; K203-G207 VanDerWaalsContact O-CA 3.25Å; K203-G207 WeakPolarHBondContact O-CA 3.49Å; K203-G207 PolarHBondContact O-N 2.84Å; K203-V212 HydrophobicContact CG-CB 4.27Å; K203-V212 HydrophobicContact CG-CG2 4.21Å
204	S	85.5	Confident	79.3	Confident	99 Å²	99	72.8 Å²	72.8	69%	0.692	38%	0.381	S	S	*	.	H	α-helix	trans	-71.4	-30.1	-177.2	58.4	0	0	0	0	113.5	E200 E201	E200-S204 WeakPolarHBondContact O-CB 3.46Å; E200-S204 PolarHBondContact O-N 3.24Å; E200-S204 PolarHBondContact O-OG 3.39Å; E201-S204 PolarHBondContact O-N 2.85Å; E201-S204 PolarHBondContact O-OG 3.18Å; E201-S204 VanDerWaalsContact O-OG 3.1Å
205	R	87.6	Confident	78.5	Confident	116 Å²	116	71.5 Å²	71.5	44%	0.438	37%	0.369	S	S	.	.	H	α-helix	trans	-90	-34.6	180	-64.5	176.4	65.1	-154.1	-14.3	113.9	D181 E201 V202	D181-R205 IonicContact OD1-CZ 3.69Å; D181-R205 IonicContact OD1-NH1 3.26Å; D181-R205 IonicContact OD1-NH2 2.84Å; D181-R205 PolarHBondContact OD1-NH2 2.97Å; D181-R205 IonicContact OD2-CZ 2.71Å; D181-R205 IonicContact OD2-NH1 3.42Å; D181-R205 PolarHBondContact OD2-NH1 2.85Å; D181-R205 IonicContact OD2-NH2 3.04Å; D181-R205 PolarHBondContact OD2-NH2 3.38Å; E201-R205 HydrophobicContact CG-CG 4.42Å; E201-R205 WeakPolarHBondContact O-CB 3.34Å; E201-R205 VanDerWaalsContact O-CG 3.3Å; E201-R205 WeakPolarHBondContact O-CG 3.26Å; E201-R205 PolarHBondContact O-N 3.23Å; E201-R205 WeakPolarHBondContact OE1-CD 3.36Å; E201-R205 IonicContact OE1-CZ 3.5Å; E201-R205 IonicContact OE1-NE 2.8Å; E201-R205 IonicContact OE1-NH1 3.4Å; E201-R205 PolarHBondContact OE1-NH1 3.41Å; V202-R205 PolarHBondContact O-N 2.92Å
206	H	87.2	Confident	77.4	Confident	32 Å²	32	70.7 Å²	70.7	15%	0.148	37%	0.37	C	S	.	.	H	α-helix	trans	-127.6	-3.2	-169.6	-65.4	-78.3	0	0	0	115.1	L180 D181 V202 S208 K209 V210	L180-H206 HydrophobicContact CD1-CB 3.95Å; D181-H206 IonicContact OD1-CD2 2.99Å; D181-H206 IonicContact OD1-CE1 3.57Å; D181-H206 IonicContact OD1-NE2 2.75Å; D181-H206 PolarHBondContact OD1-NE2 3.27Å; V202-H206 WeakPolarHBondContact O-CA 3.22Å; V202-H206 WeakPolarHBondContact O-CB 3.39Å; V202-H206 PolarHBondContact O-N 2.83Å; H206-S208 PolarHBondContact O-N 2.9Å; H206-K209 PolarHBondContact O-N 3.04Å; H206-V210 PolarHBondContact O-N 3.35Å
207	G	80.5	Confident	75.6	Confident	38 Å²	38	72.7 Å²	72.7	39%	0.392	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.3	-175.7	0	0	0	0	0	115.9	K203	K203-G207 VanDerWaalsContact O-CA 3.25Å; K203-G207 WeakPolarHBondContact O-CA 3.49Å; K203-G207 PolarHBondContact O-N 2.84Å
208	S	81.4	Confident	73.9	Confident	126 Å²	126	69.7 Å²	69.7	88%	0.881	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.2	169.9	54.1	0	0	0	0	113.8	H206	H206-S208 PolarHBondContact O-N 2.9Å
209	K	78.8	Confident	71.8	Confident	117 Å²	117	71.2 Å²	71.2	51%	0.509	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-37.3	176.7	-177.1	-172.1	172.2	-168.6	0	112	S185 H206	S185-K209 PolarHBondContact O-NZ 2.82Å; H206-K209 PolarHBondContact O-N 3.04Å
210	V	79.4	Confident	69.9	Low	2 Å²	2	74.4 Å²	74.4	1%	0.012	38%	0.384	C	S	.	.	S	Bend	trans	-129.2	128.1	-168.7	-168.1	0	0	0	0	111.1	L180 L190 H206	L180-V210 HydrophobicContact CD2-CG2 3.91Å; L190-V210 HydrophobicContact CB-CG1 3.73Å; H206-V210 PolarHBondContact O-N 3.35Å
211	L	79.4	Confident	68	Low	91 Å²	91	72.3 Å²	72.3	48%	0.476	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	119.5	175	-68.8	169.4	0	0	0	110.3	E188 Y189 L190 Y213	E188-L211 PolarHBondContact O-N 3.23Å; Y189-L211 HydrophobicContact CD1-CB 4.17Å; Y189-L211 HydrophobicContact CD1-CD1 4.22Å; Y189-L211 HydrophobicContact CE1-CD1 3.86Å; L190-L211 PolarHBondContact N-O 3.43Å; L211-Y213 HydrophobicContact CB-CD2 4.41Å; L211-Y213 HydrophobicContact CB-CE2 3.77Å
212	V	75	Confident	66.4	Low	37 Å²	37	73.9 Å²	73.9	22%	0.224	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	114.3	-176.6	-172.1	0	0	0	0	110.7	L190 I192 V202 K203	L190-V212 HydrophobicContact CD2-CG1 4.45Å; L190-V212 HydrophobicContact CD2-CG2 4.32Å; L190-V212 CarbonylContact O-C 2.99Å; L190-V212 WeakPolarHBondContact O-CA 3.27Å; I192-V212 HydrophobicContact CD1-CG1 3.94Å; I192-V212 HydrophobicContact CG1-CG1 4.25Å; V202-V212 HydrophobicContact CG1-CG2 4.05Å; K203-V212 HydrophobicContact CG-CB 4.27Å; K203-V212 HydrophobicContact CG-CG2 4.21Å
213	Y	69.8	Low	65.4	Low	94 Å²	94	77.3 Å²	77.3	37%	0.369	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	161.4	-179.5	-69.7	-78.4	0	0	0	112.9	T109 Y189 L190 I191 I192 L211	T109-Y213 HydrophobicContact CG2-CE1 4.16Å; T109-Y213 HydrophobicContact CG2-CE2 3.87Å; T109-Y213 WeakPolarHBondContact CG2-OH 3.27Å; Y189-Y213 AromaticContact CD1-CE2 4Å; Y189-Y213 HydrophobicContact CD1-CE2 4Å; L190-Y213 PolarHBondContact O-N 2.95Å; I191-Y213 WeakPolarHBondContact CA-O 3.42Å; I192-Y213 PolarHBondContact N-O 3.22Å; L211-Y213 HydrophobicContact CB-CD2 4.41Å; L211-Y213 HydrophobicContact CB-CE2 3.77Å
214	L	63.3	Low	64.6	Low	117 Å²	117	77.4 Å²	77.4	61%	0.613	42%	0.421	S	S	*	.			trans	-109.3	165.7	166.3	-61.3	179	0	0	0	110.1	E216	L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 3.12Å
215	F	56	Low	64	Low	21 Å²	21	75.1 Å²	75.1	9%	0.092	40%	0.401	C	S	.	.	S	Bend	trans	-77.5	17.6	-150.2	-163.2	-119.7	0	0	0	118	I102 E129 I132 M133 L169 I191	I102-F215 HydrophobicContact CD1-CD1 4.15Å; I102-F215 HydrophobicContact CD1-CD2 4.16Å; I102-F215 HydrophobicContact CD1-CE1 3.56Å; I102-F215 HydrophobicContact CD1-CE2 3.57Å; I102-F215 HydrophobicContact CD1-CG 4.42Å; I102-F215 HydrophobicContact CD1-CZ 3.22Å; I102-F215 HydrophobicContact CG1-CD1 4.29Å; I102-F215 HydrophobicContact CG1-CD2 4.12Å; I102-F215 HydrophobicContact CG1-CE1 4.2Å; I102-F215 HydrophobicContact CG1-CE2 4.01Å; I102-F215 HydrophobicContact CG1-CG 4.25Å; I102-F215 HydrophobicContact CG1-CZ 4.05Å; I102-F215 VanDerWaalsContact CG1-O 3.27Å; I102-F215 WeakPolarHBondContact CG1-O 3.48Å; E129-F215 HydrophobicContact CB-CE1 3.82Å; E129-F215 HydrophobicContact CB-CE2 4.18Å; E129-F215 HydrophobicContact CB-CZ 3.61Å; E129-F215 HydrophobicContact CG-CD1 4.25Å; E129-F215 HydrophobicContact CG-CE1 3.8Å; E129-F215 HydrophobicContact CG-CZ 4.14Å; E129-F215 VanDerWaalsContact O-CZ 3.28Å; E129-F215 WeakPolarHBondContact O-CZ 3.39Å; I132-F215 HydrophobicContact CB-CE1 3.98Å; I132-F215 HydrophobicContact CB-CZ 3.94Å; I132-F215 HydrophobicContact CD1-CE1 4.2Å; I132-F215 HydrophobicContact CG2-CE1 3.9Å; I132-F215 HydrophobicContact CG2-CZ 4.1Å; M133-F215 HydrophobicContact CB-CE2 4.14Å; M133-F215 HydrophobicContact CB-CZ 4.34Å; M133-F215 HydrophobicContact CE-CE2 4.13Å; L169-F215 HydrophobicContact CD1-CD2 4.03Å; L169-F215 HydrophobicContact CD1-CE2 3.98Å; L169-F215 HydrophobicContact CD2-CE2 4.08Å; I191-F215 HydrophobicContact CG2-CD2 4.05Å
216	E	47.6	Very low	63.5	Low	127 Å²	127	71.5 Å²	71.5	59%	0.593	39%	0.39	S	S	*	.			trans	-130	85.7	-159	-55.5	-163.5	136.5	0	0	116.7	K98 A101 L214	K98-E216 IonicContact NZ-OE1 2.73Å; K98-E216 PolarHBondContact NZ-OE1 3.23Å; A101-E216 HydrophobicContact CB-CB 4.28Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-E216 PolarHBondContact O-N 3.12Å
217	D	39.4	Very low	63.2	Low	74 Å²	74	70 Å²	70	40%	0.396	38%	0.383	S	S	.	.			trans	-171.1	116.8	171.6	-106.9	-17	0	0	0	119.6	A101 I102 G103 T104 A105	A101-D217 VanDerWaalsContact C-N 3.3Å; A101-D217 CarbonylContact C-O 3.58Å; A101-D217 CarbonylContact O-C 3.4Å; I102-D217 CarbonylContact C-O 3.49Å; I102-D217 WeakPolarHBondContact CA-O 3.33Å; I102-D217 PolarHBondContact N-O 3.23Å; G103-D217 PolarHBondContact N-O 3.31Å; T104-D217 CarbonylContact C-O 3.59Å; T104-D217 PolarHBondContact N-O 3.02Å; A105-D217 HydrophobicContact CB-CB 3.58Å; A105-D217 WeakPolarHBondContact CB-O 3.36Å; A105-D217 PolarHBondContact N-O 3.42Å
218	F	40.6	Very low	63.6	Low	71 Å²	71	68.2 Å²	68.2	31%	0.311	36%	0.364	S	S	.	.			trans	76.2	-164.8	152.4	-29.3	-71.3	0	0	0	127.8	K100 A101 G103 T104 K108	K100-F218 CarbonylContact C-O 3.53Å; K100-F218 WeakPolarHBondContact CA-O 3.27Å; K100-F218 WeakPolarHBondContact O-CA 3.3Å; K100-F218 PolarHBondContact O-N 2.75Å; A101-F218 CarbonylContact O-C 3.49Å; A101-F218 PolarHBondContact O-N 2.95Å; A101-F218 VanDerWaalsContact O-N 3.07Å; G103-F218 WeakPolarHBondContact CA-O 3.31Å; G103-F218 PolarHBondContact N-O 3.16Å; T104-F218 WeakPolarHBondContact OG1-CB 3.49Å; K108-F218 HydrophobicContact CD-CD2 3.84Å; K108-F218 HydrophobicContact CD-CE2 3.51Å; K108-F218 HydrophobicContact CD-CZ 4.18Å
219	M	41.4	Very low	64	Low	105 Å²	105	62.2 Å²	62.2	52%	0.517	32%	0.322	S	S	.	.			trans	-135.5	0	-166.8	39.5	44.8	61.3	0	0	120.9	T104 Y140	T104-M219 WeakPolarHBondContact CB-O 3.5Å; T104-M219 VanDerWaalsContact N-N 3.17Å; T104-M219 PolarHBondContact N-O 2.98Å; T104-M219 PolarHBondContact OG1-N 2.86Å; T104-M219 PolarHBondContact OG1-O 2.89Å; T104-M219 PolarHBondContact OG1-SD 3.4Å; T104-M219 VanDerWaalsContact OG1-SD 3.34Å; Y140-M219 HydrophobicContact CE1-CB 3.94Å
220	D	37.6	Very low	64.5	Low	70 Å²	70	56.7 Å²	56.7	37%	0.374	30%	0.298	S	S	.	.				0	173.6	0	-119.7	-112.1	0	0	0	115.3	K61 A139 Y140	K61-D220 IonicContact NZ-OD1 2.63Å; K61-D220 PolarHBondContact NZ-OD1 2.77Å; A139-D220 CarbonylContact O-C 3.6Å; A139-D220 WeakPolarHBondContact O-CA 3.29Å; Y140-D220 HydrophobicContact CE1-CB 4.3Å
221	P	42.9	Very low	65	Low	35 Å²	35	56.6 Å²	56.6	23%	0.227	30%	0.298	C	S	.	.			trans	-137.6	-163.1	-159.5	49.5	-35.8	0	0	0	122	K61 A139	K61-P221 HydrophobicContact CD-CG 3.64Å; A139-P221 WeakPolarHBondContact O-CB 3.41Å; A139-P221 WeakPolarHBondContact O-CD 3.24Å; A139-P221 WeakPolarHBondContact O-CG 3.46Å
222	L	51.7	Low	65.1	Low	99 Å²	99	53.2 Å²	53.2	52%	0.518	28%	0.281	S	S	.	.			trans	-138.5	166.1	169.3	-75.2	179.6	0	0	0	117.7
223	P	64.2	Low	64.8	Low	71 Å²	71	56 Å²	56	46%	0.461	30%	0.302	S	S	.	.	S	Bend	trans	-85.1	-29.6	-170.7	-21.1	37.2	0	0	0	120.3	T59 D225	T59-P223 HydrophobicContact CG2-CB 3.45Å; T59-P223 VanDerWaalsContact CG2-CB 3.45Å; T59-P223 HydrophobicContact CG2-CG 3.92Å; P223-D225 PolarHBondContact O-N 3.48Å
224	S	67.6	Low	64.1	Low	84 Å²	84	52.8 Å²	52.8	59%	0.587	30%	0.297	S	S	*	.	S	Bend	trans	-73.5	-11.5	-169.8	36.2	0	0	0	0	114.1	N245	S224-N245 PolarHBondContact O-ND2 3.09Å
225	D	71.7	Confident	63.7	Low	51 Å²	51	53.1 Å²	53.1	27%	0.273	31%	0.309	S	S	.	.	S	Bend	trans	-84.4	160.4	-148.4	-56.8	-5.9	0	0	0	111.4	P223 Y227 N245 H246	P223-D225 PolarHBondContact O-N 3.48Å; D225-Y227 PolarHBondContact O-N 2.72Å; D225-Y227 VanDerWaalsContact O-N 3.09Å; D225-N245 WeakPolarHBondContact O-CA 3.39Å; D225-H246 PolarHBondContact O-CD2 3.19Å; D225-H246 PolarHBondContact O-N 2.62Å
226	L	78.5	Confident	63.6	Low	40 Å²	40	58.8 Å²	58.8	21%	0.209	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	109.4	175	-176.6	67.3	0	0	0	107.7	F119 T143 V229 M243	F119-L226 HydrophobicContact CE1-CD2 4.47Å; T143-L226 WeakPolarHBondContact CA-O 3.38Å; T143-L226 WeakPolarHBondContact CB-O 3.26Å; T143-L226 HydrophobicContact CG2-CB 4.4Å; T143-L226 HydrophobicContact CG2-CD2 3.81Å; T143-L226 HydrophobicContact CG2-CG 3.66Å; T143-L226 PolarHBondContact OG1-O 3.07Å; L226-V229 HydrophobicContact CD2-CG2 3.91Å; L226-M243 HydrophobicContact CD1-CB 3.86Å; L226-M243 HydrophobicContact CD1-CG 4.26Å
227	Y	80.7	Confident	64.5	Low	0 Å²	0	55.2 Å²	55.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-37.3	-174.3	164.6	-123.5	0	0	0	111.7	M60 Q134 A138 T143 I144 D225 V244 H246 I249	M60-Y227 HydrophobicContact CB-CD2 4.4Å; M60-Y227 HydrophobicContact CB-CE2 4.16Å; M60-Y227 HydrophobicContact CG-CD1 4.01Å; M60-Y227 HydrophobicContact CG-CD2 4.47Å; M60-Y227 HydrophobicContact CG-CE1 3.7Å; M60-Y227 HydrophobicContact CG-CE2 4.22Å; M60-Y227 HydrophobicContact CG-CG 4.38Å; Q134-Y227 WeakPolarHBondContact CG-OH 3.5Å; Q134-Y227 PolarHBondContact NE2-OH 2.95Å; Q134-Y227 VanDerWaalsContact NE2-OH 3.11Å; A138-Y227 HydrophobicContact CB-CD2 3.98Å; A138-Y227 HydrophobicContact CB-CE2 3.69Å; T143-Y227 CarbonylContact C-O 3.16Å; T143-Y227 WeakPolarHBondContact CA-O 3.49Å; I144-Y227 HydrophobicContact CD1-CE2 4.21Å; I144-Y227 HydrophobicContact CG1-CE2 4.34Å; I144-Y227 PolarHBondContact N-O 2.89Å; D225-Y227 PolarHBondContact O-N 2.72Å; D225-Y227 VanDerWaalsContact O-N 3.09Å; Y227-V244 WeakPolarHBondContact CA-O 3.48Å; Y227-V244 WeakPolarHBondContact CB-O 3.36Å; Y227-V244 HydrophobicContact CD1-CG1 4.27Å; Y227-V244 PolarHBondContact N-O 3.06Å; Y227-H246 AromaticContact CD2-CE1 3.5Å; Y227-H246 VanDerWaalsContact CD2-CE1 3.5Å; Y227-H246 WeakPolarHBondContact CD2-CE1 3.45Å; Y227-H246 AromaticContact CD2-ND1 3.74Å; Y227-H246 AromaticContact CG-CE1 3.76Å; Y227-H246 AromaticContact CG-ND1 3.62Å; Y227-I249 HydrophobicContact CD1-CG2 3.66Å; Y227-I249 HydrophobicContact CE1-CD1 3.8Å; Y227-I249 HydrophobicContact CE1-CG2 3.85Å
228	M	88.8	Confident	66.5	Low	0 Å²	0	56 Å²	56	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	147.5	-176.5	174.4	-166.3	-33.5	0	0	111.5	I144 P146 C230 V244 I249 M280 Q283	I144-M228 HydrophobicContact CD1-CE 4.22Å; I144-M228 HydrophobicContact CG1-CB 3.83Å; I144-M228 HydrophobicContact CG1-CE 4.47Å; I144-M228 HydrophobicContact CG1-CG 3.95Å; I144-M228 CarbonylContact O-C 3.52Å; I144-M228 VanDerWaalsContact O-CA 3.24Å; I144-M228 WeakPolarHBondContact O-CA 3.3Å; P146-M228 HydrophobicContact CG-CG 4.18Å; P146-M228 HydrophobicContact CG-SD 4.22Å; M228-C230 HydrophobicContact CG-CB 4.13Å; M228-C230 HydrophobicContact SD-CB 3.71Å; M228-V244 HydrophobicContact CB-CB 4.03Å; M228-V244 HydrophobicContact CB-CG1 4.43Å; M228-V244 PolarHBondContact N-O 3.35Å; M228-V244 WeakPolarHBondContact O-CB 3.48Å; M228-V244 PolarHBondContact O-N 3.14Å; M228-I249 HydrophobicContact CE-CD1 4.45Å; M228-M280 HydrophobicContact SD-CE 4.29Å; M228-Q283 HydrophobicContact CE-CG 3.98Å; M228-Q283 VanDerWaalsContact CE-NE2 3.3Å; M228-Q283 VanDerWaalsContact CE-OE1 3.27Å; M228-Q283 HydrophobicContact SD-CG 4.42Å
229	V	89	Confident	68.5	Low	0 Å²	0	53 Å²	53	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	107.3	158.3	177.6	0	0	0	0	107.8	F119 T143 I144 P146 L226 Y231 G241 V242 Y476	F119-V229 HydrophobicContact CE1-CB 4.42Å; F119-V229 HydrophobicContact CE1-CG2 3.67Å; F119-V229 HydrophobicContact CZ-CG2 4.24Å; T143-V229 HydrophobicContact CG2-CG2 4.06Å; I144-V229 PolarHBondContact O-N 2.77Å; P146-V229 WeakPolarHBondContact CD-O 3.25Å; L226-V229 HydrophobicContact CD2-CG2 3.91Å; V229-Y231 HydrophobicContact CB-CE2 4.41Å; V229-Y231 HydrophobicContact CG1-CD2 4.09Å; V229-Y231 HydrophobicContact CG1-CE2 3.53Å; V229-G241 VanDerWaalsContact CG1-CA 3.5Å; V229-V242 WeakPolarHBondContact CA-O 3.44Å; V229-Y476 HydrophobicContact CG1-CD1 4.26Å; V229-Y476 HydrophobicContact CG1-CG 4.24Å; V229-Y476 HydrophobicContact CG2-CD2 4.42Å; V229-Y476 HydrophobicContact CG2-CG 4.25Å
230	C	90.7	Very high	70.9	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	105.4	-174.3	-171.3	0	0	0	0	110	M228 T232 V242 V244 A278 M280 T416	M228-C230 HydrophobicContact CG-CB 4.13Å; M228-C230 HydrophobicContact SD-CB 3.71Å; C230-T232 PolarHBondContact O-N 2.93Å; C230-V242 PolarHBondContact N-O 2.83Å; C230-V242 WeakPolarHBondContact O-CB 3.42Å; C230-V242 PolarHBondContact O-N 3.36Å; C230-V244 HydrophobicContact CB-CG2 4.25Å; C230-A278 PolarHBondContact SG-O 2.82Å; C230-A278 VanDerWaalsContact SG-O 3.42Å; C230-M280 HydrophobicContact CB-CE 4.42Å; C230-T416 HydrophobicContact CB-CG2 3.71Å; C230-T416 WeakPolarHBondContact SG-CG2 3.33Å
231	Y	88.4	Confident	73.5	Confident	1 Å²	1	46.9 Å²	46.9	0%	0.004	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	121.3	-178	-78.6	-88.5	0	0	0	112.4	V145 I159 Q162 T163 V229 P239 K240 G241	V145-Y231 HydrophobicContact CG1-CD2 4.17Å; V145-Y231 HydrophobicContact CG1-CE2 3.92Å; I159-Y231 HydrophobicContact CB-CE2 4.33Å; I159-Y231 HydrophobicContact CD1-CD1 4.12Å; I159-Y231 HydrophobicContact CD1-CD2 4.07Å; I159-Y231 HydrophobicContact CD1-CG 3.75Å; I159-Y231 HydrophobicContact CG1-CD1 3.61Å; I159-Y231 HydrophobicContact CG1-CD2 3.83Å; I159-Y231 HydrophobicContact CG1-CE1 3.76Å; I159-Y231 HydrophobicContact CG1-CE2 3.98Å; I159-Y231 HydrophobicContact CG1-CG 3.64Å; I159-Y231 HydrophobicContact CG2-CD2 3.99Å; I159-Y231 HydrophobicContact CG2-CE2 3.73Å; Q162-Y231 PolarHBondContact OE1-OH 3.29Å; T163-Y231 HydrophobicContact CG2-CE2 3.93Å; T163-Y231 VanDerWaalsContact CG2-OH 3.22Å; T163-Y231 WeakPolarHBondContact CG2-OH 3.42Å; V229-Y231 HydrophobicContact CB-CE2 4.41Å; V229-Y231 HydrophobicContact CG1-CD2 4.09Å; V229-Y231 HydrophobicContact CG1-CE2 3.53Å; Y231-P239 HydrophobicContact CD1-CB 3.97Å; Y231-P239 WeakPolarHBondContact CD1-O 3.23Å; Y231-K240 WeakPolarHBondContact CA-O 3.25Å; Y231-G241 VanDerWaalsContact CD1-CA 3.47Å; Y231-G241 VanDerWaalsContact CD1-N 3.29Å; Y231-G241 VanDerWaalsContact CE1-CA 3.46Å; Y231-G241 VanDerWaalsContact CE1-N 3.32Å
232	T	82.4	Confident	75.9	Confident	19 Å²	19	45.2 Å²	45.2	12%	0.117	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.5	171.8	56	0	0	0	0	110.8	C230 G234 P239 K240 V242 T416 E417	C230-T232 PolarHBondContact O-N 2.93Å; T232-G234 PolarHBondContact O-N 3.22Å; T232-P239 CarbonylContact O-C 3.59Å; T232-P239 WeakPolarHBondContact O-CA 3.46Å; T232-P239 WeakPolarHBondContact O-CB 3.3Å; T232-K240 PolarHBondContact N-O 2.81Å; T232-K240 PolarHBondContact O-N 3.46Å; T232-K240 PolarHBondContact OG1-O 3.39Å; T232-V242 HydrophobicContact CG2-CG2 3.89Å; T232-T416 HydrophobicContact CG2-CG2 3.81Å; T232-T416 VanDerWaalsContact CG2-OG1 3.29Å; T232-T416 WeakPolarHBondContact CG2-OG1 3.45Å; T232-E417 PolarHBondContact OG1-OE1 2.98Å
233	S	67.9	Low	77.9	Confident	97 Å²	97	42.7 Å²	42.7	68%	0.678	28%	0.277	S	S	*	.			trans	-65.4	112.6	171.7	51.1	0	0	0	0	109.9
234	G	55.2	Low	79.2	Confident	25 Å²	25	39.3 Å²	39.3	26%	0.258	26%	0.255	S	S	.	.			trans	-66.1	132.5	168.3	0	0	0	0	0	110	T232 T236	T232-G234 PolarHBondContact O-N 3.22Å; G234-T236 PolarHBondContact O-N 2.86Å
235	S	54.7	Low	80.2	Confident	124 Å²	124	37.2 Å²	37.2	87%	0.867	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.7	176.9	47.6	0	0	0	0	113.3
236	T	54.5	Low	81.1	Confident	140 Å²	140	34.9 Å²	34.9	86%	0.859	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.8	26.6	-175.1	64.5	0	0	0	0	113	G234	G234-T236 PolarHBondContact O-N 2.86Å
237	G	65.7	Low	81.7	Confident	53 Å²	53	36.8 Å²	36.8	55%	0.546	23%	0.232	S	C	.	.	S	Bend	trans	171.9	-170.1	-178.7	0	0	0	0	0	115.2
238	L	82	Confident	82.3	Confident	90 Å²	90	36.9 Å²	36.9	47%	0.471	23%	0.233	S	C	.	.	S	Bend	trans	-58.6	150.3	-178.6	-63.7	173.9	0	0	0	112.4	E154 H158	E154-L238 HydrophobicContact CB-CD2 4.5Å; H158-L238 HydrophobicContact CB-CD1 4.32Å; H158-L238 HydrophobicContact CB-CD2 4.2Å
239	P	83.8	Confident	82.5	Confident	7 Å²	7	36.9 Å²	36.9	5%	0.045	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-62.8	137.7	-178.6	-20	30.9	0	0	0	112.7	F151 A155 H158 Y231 T232	F151-P239 HydrophobicContact CZ-CB 4.47Å; A155-P239 HydrophobicContact CB-CG 3.48Å; A155-P239 VanDerWaalsContact CB-CG 3.48Å; H158-P239 PolarHBondContact CD2-O 2.63Å; H158-P239 PolarHBondContact NE2-O 2.97Å; Y231-P239 HydrophobicContact CD1-CB 3.97Å; Y231-P239 WeakPolarHBondContact CD1-O 3.23Å; T232-P239 CarbonylContact O-C 3.59Å; T232-P239 WeakPolarHBondContact O-CA 3.46Å; T232-P239 WeakPolarHBondContact O-CB 3.3Å
240	K	90.3	Very high	82.7	Confident	48 Å²	48	37.1 Å²	37.1	21%	0.209	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.3	178.4	-57.9	171.9	-70.4	167.7	0	110.4	Y231 T232 V242 Y475 K481	Y231-K240 WeakPolarHBondContact CA-O 3.25Å; T232-K240 PolarHBondContact N-O 2.81Å; T232-K240 PolarHBondContact O-N 3.46Å; T232-K240 PolarHBondContact OG1-O 3.39Å; K240-V242 PolarHBondContact O-N 2.81Å; K240-Y475 HydrophobicContact CB-CD1 3.5Å; K240-Y475 VanDerWaalsContact CB-CD1 3.5Å; K240-Y475 HydrophobicContact CB-CE1 3.86Å; K240-Y475 HydrophobicContact CB-CG 4.07Å; K240-Y475 HydrophobicContact CD-CD1 4.04Å; K240-Y475 HydrophobicContact CD-CD2 4.33Å; K240-Y475 HydrophobicContact CD-CE1 3.78Å; K240-Y475 HydrophobicContact CD-CE2 4.11Å; K240-Y475 HydrophobicContact CD-CG 4.3Å; K240-Y475 HydrophobicContact CG-CD1 4.33Å; K240-Y475 HydrophobicContact CG-CE1 4.46Å; K240-Y475 VanDerWaalsContact NZ-CZ 3.25Å; K240-Y475 PolarHBondContact NZ-OH 3.17Å; K240-K481 HydrophobicContact CD-CD 4.4Å
241	G	92.3	Very high	82.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	100.5	176.5	0	0	0	0	0	112	V229 Y231 M243 Y475 Y476	V229-G241 VanDerWaalsContact CG1-CA 3.5Å; Y231-G241 VanDerWaalsContact CD1-CA 3.47Å; Y231-G241 VanDerWaalsContact CD1-N 3.29Å; Y231-G241 VanDerWaalsContact CE1-CA 3.46Å; Y231-G241 VanDerWaalsContact CE1-N 3.32Å; G241-M243 PolarHBondContact O-N 3.2Å; G241-Y475 CarbonylContact O-C 3.26Å; G241-Y475 WeakPolarHBondContact O-CA 3.23Å; G241-Y476 WeakPolarHBondContact O-CB 3.2Å; G241-Y476 PolarHBondContact O-N 3Å
242	V	94.7	Very high	83.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.9	175.3	-179.6	0	0	0	0	109.7	V229 C230 T232 K240 V244 T416 E417 T472 Y475	V229-V242 WeakPolarHBondContact CA-O 3.44Å; C230-V242 PolarHBondContact N-O 2.83Å; C230-V242 WeakPolarHBondContact O-CB 3.42Å; C230-V242 PolarHBondContact O-N 3.36Å; T232-V242 HydrophobicContact CG2-CG2 3.89Å; K240-V242 PolarHBondContact O-N 2.81Å; V242-V244 HydrophobicContact CG1-CG2 4.37Å; V242-T416 HydrophobicContact CB-CG2 3.85Å; V242-T416 HydrophobicContact CG1-CG2 4.1Å; V242-T416 HydrophobicContact CG2-CG2 3.82Å; V242-E417 HydrophobicContact CG1-CG 4.36Å; V242-E417 HydrophobicContact CG2-CG 3.84Å; V242-E417 WeakPolarHBondContact CG2-OE1 3.3Å; V242-T472 HydrophobicContact CG1-CG2 4.17Å; V242-Y475 HydrophobicContact CG2-CD1 4.01Å; V242-Y475 HydrophobicContact CG2-CE1 3.9Å
243	M	92.7	Very high	83.8	Confident	45 Å²	45	37.3 Å²	37.3	22%	0.222	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130	175.7	-66.7	-174.9	-71.7	0	0	111	L226 G241 T472 G474	L226-M243 HydrophobicContact CD1-CB 3.86Å; L226-M243 HydrophobicContact CD1-CG 4.26Å; G241-M243 PolarHBondContact O-N 3.2Å; M243-T472 PolarHBondContact O-OG1 2.96Å; M243-G474 WeakPolarHBondContact CE-O 3.18Å; M243-G474 PolarHBondContact N-O 3.24Å; M243-G474 VanDerWaalsContact N-O 3.15Å
244	V	91.7	Very high	85.1	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	112.1	-176.7	-179.6	0	0	0	0	109.3	Y227 M228 C230 V242 I249 M280 M419	Y227-V244 WeakPolarHBondContact CA-O 3.48Å; Y227-V244 WeakPolarHBondContact CB-O 3.36Å; Y227-V244 HydrophobicContact CD1-CG1 4.27Å; Y227-V244 PolarHBondContact N-O 3.06Å; M228-V244 HydrophobicContact CB-CB 4.03Å; M228-V244 HydrophobicContact CB-CG1 4.43Å; M228-V244 PolarHBondContact N-O 3.35Å; M228-V244 WeakPolarHBondContact O-CB 3.48Å; M228-V244 PolarHBondContact O-N 3.14Å; C230-V244 HydrophobicContact CB-CG2 4.25Å; V242-V244 HydrophobicContact CG1-CG2 4.37Å; V244-I249 HydrophobicContact CG1-CB 4.33Å; V244-M280 HydrophobicContact CG1-CE 4.19Å; V244-M280 HydrophobicContact CG2-CE 3.65Å; V244-M419 HydrophobicContact CB-CE 4.48Å; V244-M419 HydrophobicContact CB-SD 4.25Å; V244-M419 HydrophobicContact CG1-CE 4.42Å; V244-M419 HydrophobicContact CG1-SD 3.7Å; V244-M419 HydrophobicContact CG2-CE 4.04Å; V244-M419 HydrophobicContact CG2-SD 3.81Å
245	N	89.3	Confident	86.9	Confident	41 Å²	41	32 Å²	32	22%	0.219	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	157.8	172.2	-66.7	38.5	0	0	0	110.1	S224 D225 E247 Q248	S224-N245 PolarHBondContact O-ND2 3.09Å; D225-N245 WeakPolarHBondContact O-CA 3.39Å; N245-E247 PolarHBondContact O-N 3.38Å; N245-E247 VanDerWaalsContact O-N 3.14Å; N245-Q248 PolarHBondContact O-N 2.93Å; N245-Q248 VanDerWaalsContact O-N 3.09Å
246	H	89.8	Confident	88.8	Confident	2 Å²	2	27.7 Å²	27.7	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-48.2	-44.6	-178.9	-74.8	-61.9	0	0	0	114.2	D225 Y227 Q248 I249 V250	D225-H246 PolarHBondContact O-CD2 3.19Å; D225-H246 PolarHBondContact O-N 2.62Å; Y227-H246 AromaticContact CD2-CE1 3.5Å; Y227-H246 VanDerWaalsContact CD2-CE1 3.5Å; Y227-H246 WeakPolarHBondContact CD2-CE1 3.45Å; Y227-H246 AromaticContact CD2-ND1 3.74Å; Y227-H246 AromaticContact CG-CE1 3.76Å; Y227-H246 AromaticContact CG-ND1 3.62Å; H246-Q248 VanDerWaalsContact C-N 3.29Å; H246-Q248 PolarHBondContact O-N 3.34Å; H246-I249 WeakPolarHBondContact O-CG2 3.45Å; H246-V250 WeakPolarHBondContact O-CB 3.23Å; H246-V250 VanDerWaalsContact O-CG2 3.32Å; H246-V250 WeakPolarHBondContact O-CG2 3.47Å; H246-V250 PolarHBondContact O-N 2.85Å; H246-V250 VanDerWaalsContact O-N 3.12Å
247	E	90.5	Very high	90.6	Very high	79 Å²	79	21 Å²	21	37%	0.369	12%	0.118	S	C	.	.	H	α-helix	trans	-71.8	-20.3	-174.1	62.1	165.1	-149	0	0	114.2	N245 D251 K469	N245-E247 PolarHBondContact O-N 3.38Å; N245-E247 VanDerWaalsContact O-N 3.14Å; E247-D251 VanDerWaalsContact O-CB 3.26Å; E247-D251 WeakPolarHBondContact O-CB 3.31Å; E247-D251 PolarHBondContact O-N 2.81Å; E247-D251 VanDerWaalsContact O-N 3.14Å; E247-K469 VanDerWaalsContact CD-NZ 3.34Å; E247-K469 VanDerWaalsContact OE1-CE 3.32Å; E247-K469 WeakPolarHBondContact OE1-CE 3.47Å; E247-K469 IonicContact OE1-NZ 3.85Å; E247-K469 WeakPolarHBondContact OE2-CE 3.21Å; E247-K469 IonicContact OE2-NZ 3.62Å; E247-K469 PolarHBondContact OE2-NZ 3.22Å
248	Q	93.3	Very high	91.8	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.009	9%	0.093	C	C	.	.	H	α-helix	trans	-77.8	-44.9	178.1	-76.4	161.8	-34.7	0	0	111.5	N245 H246 A252 M419 K469 C471	N245-Q248 PolarHBondContact O-N 2.93Å; N245-Q248 VanDerWaalsContact O-N 3.09Å; H246-Q248 VanDerWaalsContact C-N 3.29Å; H246-Q248 PolarHBondContact O-N 3.34Å; Q248-A252 PolarHBondContact O-N 3.28Å; Q248-A252 VanDerWaalsContact O-N 3.16Å; Q248-M419 HydrophobicContact CB-CE 3.94Å; Q248-M419 HydrophobicContact CB-CG 3.89Å; Q248-M419 HydrophobicContact CB-SD 4.08Å; Q248-M419 HydrophobicContact CG-CE 4.33Å; Q248-K469 WeakPolarHBondContact CG-O 3.49Å; Q248-C471 PolarHBondContact NE2-O 2.71Å
249	I	93.4	Very high	92.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-69.6	-36.4	175.1	-176.3	171.5	0	0	0	111.4	M60 Y227 M228 V244 H246 A252 V253 Q283 V284	M60-I249 HydrophobicContact CE-CD1 4.41Å; M60-I249 HydrophobicContact CG-CG2 3.53Å; M60-I249 HydrophobicContact SD-CD1 4.07Å; M60-I249 HydrophobicContact SD-CG1 4.23Å; M60-I249 HydrophobicContact SD-CG2 3.9Å; Y227-I249 HydrophobicContact CD1-CG2 3.66Å; Y227-I249 HydrophobicContact CE1-CD1 3.8Å; Y227-I249 HydrophobicContact CE1-CG2 3.85Å; M228-I249 HydrophobicContact CE-CD1 4.45Å; V244-I249 HydrophobicContact CG1-CB 4.33Å; H246-I249 WeakPolarHBondContact O-CG2 3.45Å; I249-A252 WeakPolarHBondContact O-CB 3.4Å; I249-A252 PolarHBondContact O-N 3.31Å; I249-V253 WeakPolarHBondContact O-CG2 3.35Å; I249-V253 PolarHBondContact O-N 3.21Å; I249-Q283 HydrophobicContact CD1-CB 4Å; I249-V284 HydrophobicContact CG1-CG2 4.12Å
250	V	93.8	Very high	92.6	Very high	6 Å²	6	14.8 Å²	14.8	4%	0.036	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-43.7	174.9	165.3	0	0	0	0	111.5	V57 M60 V63 H246 A252 V253 F254	V57-V250 HydrophobicContact CG1-CG1 3.9Å; V57-V250 HydrophobicContact CG1-CG2 4.31Å; M60-V250 HydrophobicContact SD-CG2 4.5Å; V63-V250 HydrophobicContact CG2-CG2 3.97Å; H246-V250 WeakPolarHBondContact O-CB 3.23Å; H246-V250 VanDerWaalsContact O-CG2 3.32Å; H246-V250 WeakPolarHBondContact O-CG2 3.47Å; H246-V250 PolarHBondContact O-N 2.85Å; H246-V250 VanDerWaalsContact O-N 3.12Å; V250-A252 VanDerWaalsContact C-N 3.29Å; V250-A252 PolarHBondContact O-N 3.26Å; V250-V253 WeakPolarHBondContact O-CB 3.36Å; V250-V253 PolarHBondContact O-N 3.24Å; V250-V253 VanDerWaalsContact O-N 3.13Å; V250-F254 HydrophobicContact CG1-CD2 3.8Å; V250-F254 HydrophobicContact CG1-CE2 3.76Å; V250-F254 VanDerWaalsContact O-CD2 3.29Å; V250-F254 WeakPolarHBondContact O-CD2 3.44Å; V250-F254 PolarHBondContact O-N 2.8Å
251	D	93.9	Very high	92.6	Very high	24 Å²	24	13.3 Å²	13.3	13%	0.128	7%	0.068	C	C	.	.	H	α-helix	trans	-60.6	-36.6	174.2	177	102.1	0	0	0	112.4	E247 F254 S255 R470	E247-D251 VanDerWaalsContact O-CB 3.26Å; E247-D251 WeakPolarHBondContact O-CB 3.31Å; E247-D251 PolarHBondContact O-N 2.81Å; E247-D251 VanDerWaalsContact O-N 3.14Å; D251-F254 PolarHBondContact O-N 2.76Å; D251-S255 PolarHBondContact O-N 2.9Å; D251-R470 WeakPolarHBondContact OD2-CB 3.2Å; D251-R470 IonicContact OD2-CZ 2.79Å; D251-R470 IonicContact OD2-NE 3.91Å; D251-R470 PolarHBondContact OD2-NE 2.8Å; D251-R470 IonicContact OD2-NH2 3.17Å; D251-R470 PolarHBondContact OD2-NH2 3.15Å
252	A	95.2	Very high	92.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-69.2	-36.4	172.1	0	0	0	0	0	113.4	Q248 I249 V250 F254 S255 I256 V284 M419 R470	Q248-A252 PolarHBondContact O-N 3.28Å; Q248-A252 VanDerWaalsContact O-N 3.16Å; I249-A252 WeakPolarHBondContact O-CB 3.4Å; I249-A252 PolarHBondContact O-N 3.31Å; V250-A252 VanDerWaalsContact C-N 3.29Å; V250-A252 PolarHBondContact O-N 3.26Å; A252-F254 VanDerWaalsContact C-N 3.29Å; A252-F254 PolarHBondContact O-N 3.25Å; A252-S255 PolarHBondContact O-N 2.69Å; A252-S255 PolarHBondContact O-OG 3.33Å; A252-I256 PolarHBondContact O-N 2.79Å; A252-V284 HydrophobicContact CB-CG1 3.93Å; A252-V284 HydrophobicContact CB-CG2 3.78Å; A252-V284 WeakPolarHBondContact O-CG1 3.37Å; A252-M419 HydrophobicContact CB-CB 3.69Å; A252-R470 HydrophobicContact CB-CG 4.26Å
253	V	95.6	Very high	92.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.9	-40.1	172.2	164.4	0	0	0	0	110.6	I249 V250 L257 V284 Y288 M291	I249-V253 WeakPolarHBondContact O-CG2 3.35Å; I249-V253 PolarHBondContact O-N 3.21Å; V250-V253 WeakPolarHBondContact O-CB 3.36Å; V250-V253 PolarHBondContact O-N 3.24Å; V250-V253 VanDerWaalsContact O-N 3.13Å; V253-L257 PolarHBondContact O-N 2.84Å; V253-V284 HydrophobicContact CG2-CG1 4.1Å; V253-Y288 HydrophobicContact CG1-CD2 4.15Å; V253-M291 HydrophobicContact CG1-CB 4.41Å; V253-M291 HydrophobicContact CG1-CE 3.62Å; V253-M291 HydrophobicContact CG1-SD 3.76Å
254	F	94.4	Very high	92.1	Very high	9 Å²	9	15.5 Å²	15.5	4%	0.039	8%	0.08	C	C	.	.	H	α-helix	trans	-68.5	-32.4	173.6	-84.7	-70.2	0	0	0	113.8	V52 I55 V57 V250 D251 A252 I256 L257 E258 M291	V52-F254 HydrophobicContact CB-CD1 4.34Å; V52-F254 HydrophobicContact CG2-CB 3.78Å; V52-F254 HydrophobicContact CG2-CD1 3.68Å; V52-F254 HydrophobicContact CG2-CE1 4.39Å; V52-F254 HydrophobicContact CG2-CG 3.76Å; I55-F254 HydrophobicContact CB-CE1 3.87Å; I55-F254 HydrophobicContact CB-CZ 3.81Å; I55-F254 HydrophobicContact CD1-CE1 4.27Å; I55-F254 HydrophobicContact CG2-CE1 4.14Å; I55-F254 HydrophobicContact CG2-CZ 3.79Å; V57-F254 HydrophobicContact CB-CE2 4.09Å; V57-F254 HydrophobicContact CB-CZ 4.13Å; V57-F254 HydrophobicContact CG1-CE2 4.27Å; V57-F254 WeakPolarHBondContact O-CE2 3.38Å; V250-F254 HydrophobicContact CG1-CD2 3.8Å; V250-F254 HydrophobicContact CG1-CE2 3.76Å; V250-F254 VanDerWaalsContact O-CD2 3.29Å; V250-F254 WeakPolarHBondContact O-CD2 3.44Å; V250-F254 PolarHBondContact O-N 2.8Å; D251-F254 PolarHBondContact O-N 2.76Å; A252-F254 VanDerWaalsContact C-N 3.29Å; A252-F254 PolarHBondContact O-N 3.25Å; F254-I256 VanDerWaalsContact C-N 3.27Å; F254-I256 PolarHBondContact O-N 3.18Å; F254-L257 HydrophobicContact CD1-CD2 4.04Å; F254-L257 HydrophobicContact CE1-CD2 4.11Å; F254-L257 WeakPolarHBondContact O-CB 3.4Å; F254-L257 PolarHBondContact O-N 2.89Å; F254-E258 PolarHBondContact O-N 2.91Å; F254-M291 HydrophobicContact CZ-SD 4.39Å
255	S	93.6	Very high	92.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.014	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-36	176.9	78.4	0	0	0	0	112.5	D251 A252 A259 S421	D251-S255 PolarHBondContact O-N 2.9Å; A252-S255 PolarHBondContact O-N 2.69Å; A252-S255 PolarHBondContact O-OG 3.33Å; S255-A259 WeakPolarHBondContact O-CB 3.26Å; S255-A259 PolarHBondContact O-N 3.23Å; S255-S421 WeakPolarHBondContact OG-CB 3.46Å; S255-S421 PolarHBondContact OG-OG 2.81Å
256	I	93.6	Very high	92.4	Very high	33 Å²	33	17.1 Å²	17.1	17%	0.169	9%	0.085	C	C	.	.	H	α-helix	trans	-66.4	-39.6	172.3	-58.8	-175	0	0	0	111.3	A252 F254 S260 V284 I285 Y288	A252-I256 PolarHBondContact O-N 2.79Å; F254-I256 VanDerWaalsContact C-N 3.27Å; F254-I256 PolarHBondContact O-N 3.18Å; I256-S260 WeakPolarHBondContact O-CB 3.28Å; I256-S260 PolarHBondContact O-N 3.17Å; I256-S260 PolarHBondContact O-OG 2.87Å; I256-V284 HydrophobicContact CD1-CG1 3.7Å; I256-V284 HydrophobicContact CG1-CG1 4.34Å; I256-I285 HydrophobicContact CD1-CG1 3.93Å; I256-Y288 HydrophobicContact CB-CD1 4.37Å; I256-Y288 HydrophobicContact CB-CG 4.31Å; I256-Y288 HydrophobicContact CG2-CD1 3.6Å; I256-Y288 HydrophobicContact CG2-CD2 4.45Å; I256-Y288 HydrophobicContact CG2-CE1 3.61Å; I256-Y288 HydrophobicContact CG2-CE2 4.5Å; I256-Y288 HydrophobicContact CG2-CG 4.03Å
257	L	93.3	Very high	92.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.7	-48	179.1	-177.5	52.6	0	0	0	112.3	F51 I55 V253 F254 S260 E261 N262 Y288 M291 I292	F51-L257 HydrophobicContact CB-CD2 3.62Å; F51-L257 HydrophobicContact CB-CG 3.95Å; F51-L257 HydrophobicContact CD2-CD1 4.39Å; F51-L257 HydrophobicContact CD2-CD2 4.5Å; F51-L257 HydrophobicContact CD2-CG 3.92Å; F51-L257 HydrophobicContact CG-CD1 4.46Å; F51-L257 HydrophobicContact CG-CD2 4.05Å; F51-L257 HydrophobicContact CG-CG 3.95Å; I55-L257 HydrophobicContact CD1-CD2 3.63Å; V253-L257 PolarHBondContact O-N 2.84Å; F254-L257 HydrophobicContact CD1-CD2 4.04Å; F254-L257 HydrophobicContact CE1-CD2 4.11Å; F254-L257 WeakPolarHBondContact O-CB 3.4Å; F254-L257 PolarHBondContact O-N 2.89Å; L257-S260 PolarHBondContact O-OG 2.9Å; L257-E261 PolarHBondContact O-N 3.39Å; L257-N262 HydrophobicContact CD1-CB 3.57Å; L257-N262 PolarHBondContact O-N 2.89Å; L257-Y288 HydrophobicContact CB-CD2 4.46Å; L257-Y288 HydrophobicContact CB-CE2 3.75Å; L257-Y288 HydrophobicContact CD1-CE2 4Å; L257-Y288 HydrophobicContact CG-CE2 4.36Å; L257-M291 HydrophobicContact CD2-CE 3.89Å; L257-I292 HydrophobicContact CD1-CD1 4.12Å
258	E	91.7	Very high	92.7	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-67.6	-48.2	179	-63.1	-70.6	177.8	0	0	110.9	K50 F51 V52 F254 S260 E261 H440	K50-E258 WeakPolarHBondContact CB-OE2 3.12Å; K50-E258 PolarHBondContact N-OE1 3.03Å; K50-E258 PolarHBondContact N-OE2 3.35Å; F51-E258 WeakPolarHBondContact CA-OE1 3.4Å; F51-E258 WeakPolarHBondContact CD2-OE2 3.47Å; F51-E258 PolarHBondContact N-OE1 3.18Å; V52-E258 HydrophobicContact CG2-CG 4.22Å; V52-E258 PolarHBondContact N-OE1 3.08Å; F254-E258 PolarHBondContact O-N 2.91Å; E258-S260 VanDerWaalsContact C-N 3.35Å; E258-S260 PolarHBondContact O-N 2.83Å; E258-E261 WeakPolarHBondContact O-CA 3.13Å; E258-E261 PolarHBondContact O-N 2.9Å; E258-H440 HydrophobicContact CB-CB 4.1Å; E258-H440 HydrophobicContact CG-CB 4.15Å
259	A	90.9	Very high	92.8	Very high	7 Å²	7	20 Å²	20	6%	0.058	11%	0.109	C	C	.	.	H	α-helix	trans	-68.5	-29.6	-178.6	0	0	0	0	0	114.2	S255 I424	S255-A259 WeakPolarHBondContact O-CB 3.26Å; S255-A259 PolarHBondContact O-N 3.23Å; A259-I424 HydrophobicContact CB-CG2 3.37Å
260	S	90.1	Very high	93	Very high	11 Å²	11	20.3 Å²	20.3	8%	0.077	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-2	169.5	70.3	0	0	0	0	113.3	I256 L257 E258 N262 K263 Y288	I256-S260 WeakPolarHBondContact O-CB 3.28Å; I256-S260 PolarHBondContact O-N 3.17Å; I256-S260 PolarHBondContact O-OG 2.87Å; L257-S260 PolarHBondContact O-OG 2.9Å; E258-S260 VanDerWaalsContact C-N 3.35Å; E258-S260 PolarHBondContact O-N 2.83Å; S260-N262 PolarHBondContact O-N 2.85Å; S260-K263 WeakPolarHBondContact O-CB 3.19Å; S260-K263 PolarHBondContact O-N 2.64Å; S260-Y288 PolarHBondContact OG-OH 2.78Å
261	E	90.4	Very high	93.1	Very high	17 Å²	17	20 Å²	20	8%	0.079	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	24.4	-173.2	-65.7	177.7	-98.6	0	0	114.3	S26 F47 L257 E258 K263	S26-E261 VanDerWaalsContact CA-OE1 3.24Å; S26-E261 WeakPolarHBondContact CA-OE1 3.33Å; S26-E261 WeakPolarHBondContact CB-OE1 3.35Å; S26-E261 PolarHBondContact OG-OE1 2.93Å; F47-E261 HydrophobicContact CE1-CG 3.73Å; F47-E261 HydrophobicContact CZ-CG 4.01Å; L257-E261 PolarHBondContact O-N 3.39Å; E258-E261 WeakPolarHBondContact O-CA 3.13Å; E258-E261 PolarHBondContact O-N 2.9Å; E261-K263 HydrophobicContact CB-CD 3.87Å; E261-K263 HydrophobicContact CB-CG 3.94Å; E261-K263 PolarHBondContact O-N 2.94Å; E261-K263 IonicContact OE1-NZ 2.76Å; E261-K263 PolarHBondContact OE1-NZ 3.29Å; E261-K263 VanDerWaalsContact OE2-CE 3.3Å; E261-K263 WeakPolarHBondContact OE2-CE 3.38Å; E261-K263 IonicContact OE2-NZ 2.9Å; E261-K263 PolarHBondContact OE2-NZ 3.45Å
262	N	90.2	Very high	93.2	Very high	42 Å²	42	19 Å²	19	23%	0.225	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.1	-166.8	-159.8	-17.3	0	0	0	113	F51 L257 S260 K266	F51-N262 HydrophobicContact CE1-CB 3.78Å; F51-N262 HydrophobicContact CE2-CB 3.89Å; F51-N262 HydrophobicContact CZ-CB 3.41Å; F51-N262 VanDerWaalsContact CZ-CB 3.41Å; L257-N262 HydrophobicContact CD1-CB 3.57Å; L257-N262 PolarHBondContact O-N 2.89Å; S260-N262 PolarHBondContact O-N 2.85Å; N262-K266 WeakPolarHBondContact O-CE 3.38Å; N262-K266 PolarHBondContact O-NZ 3.32Å; N262-K266 PolarHBondContact OD1-NZ 2.83Å
263	K	89.4	Confident	93.2	Very high	32 Å²	32	19 Å²	19	14%	0.139	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-31.9	-179.9	-66.1	174.6	-174.8	169.4	0	113	E22 T23 S260 E261	E22-K263 WeakPolarHBondContact OE2-CE 3.43Å; T23-K263 WeakPolarHBondContact O-CE 3.5Å; T23-K263 PolarHBondContact O-NZ 3.49Å; S260-K263 WeakPolarHBondContact O-CB 3.19Å; S260-K263 PolarHBondContact O-N 2.64Å; E261-K263 HydrophobicContact CB-CD 3.87Å; E261-K263 HydrophobicContact CB-CG 3.94Å; E261-K263 PolarHBondContact O-N 2.94Å; E261-K263 IonicContact OE1-NZ 2.76Å; E261-K263 PolarHBondContact OE1-NZ 3.29Å; E261-K263 VanDerWaalsContact OE2-CE 3.3Å; E261-K263 WeakPolarHBondContact OE2-CE 3.38Å; E261-K263 IonicContact OE2-NZ 2.9Å; E261-K263 PolarHBondContact OE2-NZ 3.45Å
264	L	90.5	Very high	93.1	Very high	18 Å²	18	20.1 Å²	20.1	9%	0.094	11%	0.108	C	C	.	.	S	Bend	trans	-90	-51.9	-168.5	-58.9	-176.7	0	0	0	114.3	L24 Y385 L408 V427	L24-L264 HydrophobicContact CD1-CD2 4.24Å; L264-Y385 HydrophobicContact CD2-CE2 4.45Å; L264-Y385 PolarHBondContact O-OH 3.42Å; L264-L408 HydrophobicContact CD2-CD1 3.6Å; L264-V427 HydrophobicContact CD1-CG2 4.11Å; L264-V427 HydrophobicContact CD2-CG1 3.84Å; L264-V427 HydrophobicContact CG-CG1 4.34Å; L264-V427 HydrophobicContact CG-CG2 4.18Å
265	I	93.1	Very high	93	Very high	13 Å²	13	20 Å²	20	7%	0.067	11%	0.108	C	C	.	.			trans	-106.5	145.6	-168.8	-72.3	155.8	0	0	0	110.9	Y288 Y289 I292 V317	I265-Y288 HydrophobicContact CB-CE1 3.95Å; I265-Y288 HydrophobicContact CD1-CD1 4.28Å; I265-Y288 HydrophobicContact CD1-CE1 3.71Å; I265-Y288 HydrophobicContact CG1-CE1 4.43Å; I265-Y288 HydrophobicContact CG2-CE1 4.02Å; I265-Y289 HydrophobicContact CD1-CD2 4.44Å; I265-Y289 HydrophobicContact CD1-CE2 3.54Å; I265-Y289 WeakPolarHBondContact CD1-OH 3.47Å; I265-Y289 HydrophobicContact CG1-CE1 4.44Å; I265-Y289 HydrophobicContact CG1-CE2 4.31Å; I265-Y289 HydrophobicContact CG2-CD1 4.26Å; I265-Y289 HydrophobicContact CG2-CE1 4.04Å; I265-Y289 HydrophobicContact CG2-CE2 4.46Å; I265-I292 HydrophobicContact CG2-CG2 4.18Å; I265-V317 HydrophobicContact CD1-CG2 4.3Å; I265-V317 HydrophobicContact CG1-CG2 4.04Å
266	K	93	Very high	92.8	Very high	62 Å²	62	22.6 Å²	22.6	27%	0.27	12%	0.124	S	C	.	.			trans	-146.6	161.1	-174	-58.7	-64.1	158	-164.2	0	110.2	F16 N262 N268 S269	F16-K266 HydrophobicContact CE1-CG 4.22Å; N262-K266 WeakPolarHBondContact O-CE 3.38Å; N262-K266 PolarHBondContact O-NZ 3.32Å; N262-K266 PolarHBondContact OD1-NZ 2.83Å; K266-N268 PolarHBondContact O-N 2.76Å; K266-S269 PolarHBondContact N-OG 3.02Å; K266-S269 VanDerWaalsContact N-OG 3.09Å; K266-S269 WeakPolarHBondContact O-CA 3.34Å; K266-S269 WeakPolarHBondContact O-CB 3.35Å; K266-S269 PolarHBondContact O-N 2.81Å; K266-S269 PolarHBondContact O-OG 2.93Å
267	S	93.8	Very high	92.8	Very high	54 Å²	54	21 Å²	21	38%	0.378	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-18.5	-179.5	53.7	0	0	0	0	116	S71 I292 G293 A294	S71-S267 WeakPolarHBondContact OG-CB 3.32Å; S267-I292 WeakPolarHBondContact CA-O 3.43Å; S267-I292 WeakPolarHBondContact CB-O 3.28Å; S267-G293 WeakPolarHBondContact CB-O 3.47Å; S267-G293 VanDerWaalsContact O-O 3.13Å; S267-A294 WeakPolarHBondContact O-CA 3.32Å
268	N	93.5	Very high	92.6	Very high	75 Å²	75	21.4 Å²	21.4	40%	0.401	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.2	173.1	63.6	12.8	0	0	0	114.4	K266 R295	K266-N268 PolarHBondContact O-N 2.76Å; N268-R295 PolarHBondContact O-NH2 3.5Å
269	S	96.5	Very high	92.5	Very high	15 Å²	15	25.2 Å²	25.2	11%	0.105	14%	0.137	C	C	.	.			trans	-69.3	172.6	177.1	-58.1	0	0	0	0	111.2	K266 R295	K266-S269 PolarHBondContact N-OG 3.02Å; K266-S269 VanDerWaalsContact N-OG 3.09Å; K266-S269 WeakPolarHBondContact O-CA 3.34Å; K266-S269 WeakPolarHBondContact O-CB 3.35Å; K266-S269 PolarHBondContact O-N 2.81Å; K266-S269 PolarHBondContact O-OG 2.93Å; S269-R295 WeakPolarHBondContact O-CG 3.35Å; S269-R295 PolarHBondContact O-NE 3.06Å
270	S	95.8	Very high	92.6	Very high	5 Å²	5	25 Å²	25	4%	0.035	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	133.2	174.7	47.3	0	0	0	0	111.2	Y289 R295 P315	S270-Y289 VanDerWaalsContact C-CE1 3.44Å; S270-R295 VanDerWaalsContact CA-O 3.31Å; S270-R295 WeakPolarHBondContact CA-O 3.34Å; S270-P315 WeakPolarHBondContact O-CB 3.37Å
271	H	97.4	Very high	92.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.3	168.5	-178	35.5	0	0	0	109.7	E282 Y289 R295 L296 G297 L313	H271-E282 IonicContact CD2-OE1 3.85Å; H271-E282 PolarHBondContact CD2-OE1 3.06Å; H271-E282 IonicContact CD2-OE2 2.85Å; H271-E282 IonicContact CE1-OE2 3.13Å; H271-E282 VanDerWaalsContact NE2-CD 3.26Å; H271-E282 IonicContact NE2-OE1 2.7Å; H271-E282 PolarHBondContact NE2-OE1 3.34Å; H271-E282 IonicContact NE2-OE2 2.66Å; H271-E282 PolarHBondContact NE2-OE2 3.25Å; H271-Y289 HydrophobicContact CB-CD1 3.68Å; H271-Y289 HydrophobicContact CB-CD2 3.84Å; H271-Y289 HydrophobicContact CB-CE1 3.74Å; H271-Y289 HydrophobicContact CB-CE2 3.86Å; H271-Y289 HydrophobicContact CB-CG 3.73Å; H271-Y289 VanDerWaalsContact N-CE1 3.32Å; H271-R295 PolarHBondContact N-O 3.43Å; H271-L296 HydrophobicContact CB-CD2 3.89Å; H271-G297 PolarHBondContact O-N 2.88Å; H271-L313 VanDerWaalsContact O-CD2 3.31Å; H271-L313 WeakPolarHBondContact O-CD2 3.4Å
272	L	95.9	Very high	93	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	96.8	168.6	-175.7	54.5	0	0	0	108	Y274 G297 L306 D309 A310 L313	L272-Y274 HydrophobicContact CG-CD1 4.21Å; L272-Y274 WeakPolarHBondContact O-CD1 3.35Å; L272-Y274 PolarHBondContact O-N 3.11Å; L272-Y274 VanDerWaalsContact O-N 3.12Å; L272-G297 CarbonylContact C-O 3.56Å; L272-G297 WeakPolarHBondContact CA-O 3.41Å; L272-L306 HydrophobicContact CD2-CD1 3.72Å; L272-L306 HydrophobicContact CG-CD1 4.44Å; L272-D309 HydrophobicContact CD1-CB 4.22Å; L272-A310 HydrophobicContact CD2-CB 3.86Å; L272-L313 HydrophobicContact CB-CD2 3.8Å; L272-L313 HydrophobicContact CD1-CD2 4.09Å; L272-L313 HydrophobicContact CG-CD2 4.46Å
273	S	95.5	Very high	93.3	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	99.7	177.3	-170.9	0	0	0	0	109.4	N126 E282 G297	N126-S273 PolarHBondContact ND2-OG 3.23Å; S273-E282 WeakPolarHBondContact CA-OE1 3.36Å; S273-E282 WeakPolarHBondContact CB-OE1 3.39Å; S273-E282 PolarHBondContact OG-OE1 2.86Å; S273-G297 PolarHBondContact N-O 2.76Å
274	Y	92.6	Very high	93.7	Very high	24 Å²	24	22.3 Å²	22.3	9%	0.094	12%	0.121	C	C	.	.			trans	-137.4	-21.4	178.3	82.7	-95.1	0	0	0	113.7	L272 I303 L306 T319 A320 V324	L272-Y274 HydrophobicContact CG-CD1 4.21Å; L272-Y274 WeakPolarHBondContact O-CD1 3.35Å; L272-Y274 PolarHBondContact O-N 3.11Å; L272-Y274 VanDerWaalsContact O-N 3.12Å; Y274-I303 HydrophobicContact CD2-CD1 3.52Å; Y274-I303 HydrophobicContact CE2-CD1 3.83Å; Y274-L306 HydrophobicContact CD1-CD1 3.49Å; Y274-L306 VanDerWaalsContact CD1-CD1 3.49Å; Y274-L306 HydrophobicContact CD2-CD1 3.97Å; Y274-L306 HydrophobicContact CE1-CD1 3.72Å; Y274-L306 HydrophobicContact CE2-CD1 4.18Å; Y274-L306 HydrophobicContact CE2-CD2 4.16Å; Y274-L306 HydrophobicContact CG-CD1 3.61Å; Y274-T319 VanDerWaalsContact CE1-O 3.26Å; Y274-T319 WeakPolarHBondContact CE1-O 3.44Å; Y274-T319 PolarHBondContact OH-O 2.67Å; Y274-A320 WeakPolarHBondContact OH-CA 3.33Å; Y274-V324 HydrophobicContact CE2-CG2 4.33Å
275	I	91.5	Very high	94	Very high	7 Å²	7	22 Å²	22	4%	0.036	12%	0.119	C	C	.	.	S	Bend	trans	-68.2	132.2	165.4	-61.7	174.6	0	0	0	105.8	N126 L277 M281 E282 T319 V321	N126-I275 PolarHBondContact ND2-O 3.07Å; I275-L277 PolarHBondContact O-N 2.92Å; I275-M281 HydrophobicContact CD1-SD 4.2Å; I275-E282 HydrophobicContact CB-CB 4.23Å; I275-E282 HydrophobicContact CG2-CB 4.17Å; I275-E282 VanDerWaalsContact O-CG 3.24Å; I275-E282 WeakPolarHBondContact O-CG 3.47Å; I275-T319 HydrophobicContact CD1-CG2 3.66Å; I275-V321 HydrophobicContact CD1-CG1 4.24Å
276	P	90.8	Very high	94.2	Very high	55 Å²	55	21.4 Å²	21.4	36%	0.357	12%	0.116	S	C	.	.			trans	-50.3	126.3	-174.7	-30.9	33.2	0	0	0	113.3	N126 Y148 A278 H279	N126-P276 WeakPolarHBondContact OD1-CA 3.13Å; Y148-P276 HydrophobicContact CD1-CB 4.37Å; Y148-P276 HydrophobicContact CE1-CB 4.3Å; P276-A278 PolarHBondContact O-N 3.32Å; P276-A278 VanDerWaalsContact O-N 3.12Å; P276-H279 WeakPolarHBondContact O-CB 3.49Å; P276-H279 PolarHBondContact O-N 3.21Å
277	L	93.2	Very high	94.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.5	178.7	-90.1	158.1	0	0	0	113	N126 W130 I131 I275 H279 E282 Q283 F298	N126-L277 HydrophobicContact CB-CD1 3.69Å; N126-L277 HydrophobicContact CB-CG 4.33Å; N126-L277 PolarHBondContact OD1-N 3.21Å; W130-L277 HydrophobicContact CD2-CB 3.72Å; W130-L277 HydrophobicContact CD2-CD1 3.91Å; W130-L277 HydrophobicContact CD2-CG 4.28Å; W130-L277 HydrophobicContact CE3-CB 3.77Å; W130-L277 HydrophobicContact CE3-CD1 3.56Å; W130-L277 HydrophobicContact CE3-CD2 3.9Å; W130-L277 HydrophobicContact CE3-CG 3.93Å; W130-L277 HydrophobicContact CG-CB 4.45Å; W130-L277 HydrophobicContact CG-CD1 4.3Å; W130-L277 HydrophobicContact CH2-CB 3.87Å; W130-L277 HydrophobicContact CH2-CD2 4.17Å; W130-L277 HydrophobicContact CZ2-CB 3.77Å; W130-L277 HydrophobicContact CZ3-CB 3.82Å; W130-L277 HydrophobicContact CZ3-CD1 4.15Å; W130-L277 HydrophobicContact CZ3-CD2 3.59Å; W130-L277 HydrophobicContact CZ3-CG 4.04Å; I131-L277 HydrophobicContact CD1-CD1 3.81Å; I131-L277 HydrophobicContact CD1-CD2 3.69Å; I131-L277 HydrophobicContact CD1-CG 4.45Å; I131-L277 HydrophobicContact CG1-CD1 4.13Å; I275-L277 PolarHBondContact O-N 2.92Å; L277-H279 PolarHBondContact O-N 2.89Å; L277-E282 HydrophobicContact CB-CG 4.39Å; L277-E282 HydrophobicContact CD2-CG 3.52Å; L277-E282 HydrophobicContact CG-CG 3.67Å; L277-Q283 VanDerWaalsContact O-CD 3.24Å; L277-Q283 VanDerWaalsContact O-CG 3.3Å; L277-Q283 WeakPolarHBondContact O-CG 3.5Å; L277-Q283 PolarHBondContact O-NE2 3.3Å; L277-F298 HydrophobicContact CD1-CE1 4.17Å
278	A	90	Very high	94.6	Very high	8 Å²	8	16 Å²	16	7%	0.066	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.3	168.1	0	0	0	0	0	113.7	P146 Y148 C230 P276	P146-A278 HydrophobicContact CB-CB 3.55Å; Y148-A278 HydrophobicContact CD1-CB 3.83Å; Y148-A278 HydrophobicContact CD2-CB 3.86Å; Y148-A278 HydrophobicContact CE1-CB 3.56Å; Y148-A278 HydrophobicContact CE2-CB 3.63Å; Y148-A278 HydrophobicContact CG-CB 3.98Å; Y148-A278 VanDerWaalsContact CZ-CB 3.49Å; Y148-A278 VanDerWaalsContact OH-C 3.25Å; Y148-A278 PolarHBondContact OH-O 3.47Å; C230-A278 PolarHBondContact SG-O 2.82Å; C230-A278 VanDerWaalsContact SG-O 3.42Å; P276-A278 PolarHBondContact O-N 3.32Å; P276-A278 VanDerWaalsContact O-N 3.12Å
279	H	88.8	Confident	94.8	Very high	81 Å²	81	12.5 Å²	12.5	38%	0.375	7%	0.067	S	C	.	.	S	Bend	trans	-82.2	135.7	173.6	-69.1	-55.9	0	0	0	112.1	Y148 P276 L277 M281 E282 Q283	Y148-H279 AromaticContact CE1-CD2 3.96Å; Y148-H279 AromaticContact CE1-CE1 3.37Å; Y148-H279 WeakPolarHBondContact CE1-CE1 3.49Å; Y148-H279 AromaticContact CE1-CG 3.8Å; Y148-H279 AromaticContact CE1-ND1 3.44Å; Y148-H279 WeakPolarHBondContact CE1-ND1 3.44Å; Y148-H279 AromaticContact CE1-NE2 3.69Å; Y148-H279 AromaticContact CZ-CE1 3.87Å; Y148-H279 AromaticContact CZ-ND1 3.59Å; Y148-H279 WeakPolarHBondContact OH-CA 3.37Å; Y148-H279 PolarHBondContact OH-N 3.45Å; Y148-H279 PolarHBondContact OH-ND1 3.43Å; P276-H279 WeakPolarHBondContact O-CB 3.49Å; P276-H279 PolarHBondContact O-N 3.21Å; L277-H279 PolarHBondContact O-N 2.89Å; H279-M281 PolarHBondContact O-N 2.97Å; H279-M281 VanDerWaalsContact O-N 3.12Å; H279-E282 PolarHBondContact O-N 3.18Å; H279-Q283 WeakPolarHBondContact O-CG 3.44Å; H279-Q283 PolarHBondContact O-N 2.82Å; H279-Q283 VanDerWaalsContact O-N 3.1Å
280	M	93.7	Very high	94.9	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-53.4	-33.2	177.6	-173.5	56.4	65.6	0	0	114.9	M228 C230 V244 E282 Q283 V284 T416 M419	M228-M280 HydrophobicContact SD-CE 4.29Å; C230-M280 HydrophobicContact CB-CE 4.42Å; V244-M280 HydrophobicContact CG1-CE 4.19Å; V244-M280 HydrophobicContact CG2-CE 3.65Å; M280-E282 PolarHBondContact O-N 3.11Å; M280-Q283 WeakPolarHBondContact O-CB 3.2Å; M280-Q283 PolarHBondContact O-N 2.81Å; M280-Q283 HydrophobicContact SD-CB 4.29Å; M280-V284 HydrophobicContact CG-CG2 4.41Å; M280-V284 WeakPolarHBondContact O-CG2 3.48Å; M280-V284 PolarHBondContact O-N 3.42Å; M280-V284 HydrophobicContact SD-CG2 3.92Å; M280-T416 HydrophobicContact CB-CG2 4.21Å; M280-T416 HydrophobicContact CE-CG2 4.2Å; M280-M419 HydrophobicContact CE-SD 3.71Å; M280-M419 HydrophobicContact CG-CB 4.4Å; M280-M419 HydrophobicContact SD-CB 4.09Å; M280-M419 HydrophobicContact SD-SD 4.17Å
281	M	93.4	Very high	94.9	Very high	38 Å²	38	11.6 Å²	11.6	19%	0.187	6%	0.061	C	C	.	.	H	α-helix	trans	-60.9	-44.9	176.8	-172.1	-172.1	-170.9	0	0	112	I275 H279 I285 T319 V388	I275-M281 HydrophobicContact CD1-SD 4.2Å; H279-M281 PolarHBondContact O-N 2.97Å; H279-M281 VanDerWaalsContact O-N 3.12Å; M281-I285 HydrophobicContact CE-CD1 4.14Å; M281-I285 HydrophobicContact CG-CD1 3.98Å; M281-I285 WeakPolarHBondContact O-CB 3.47Å; M281-I285 WeakPolarHBondContact O-CD1 3.16Å; M281-I285 VanDerWaalsContact O-CG1 3.24Å; M281-I285 WeakPolarHBondContact O-CG1 3.18Å; M281-I285 PolarHBondContact O-N 2.95Å; M281-T319 HydrophobicContact CE-CG2 3.53Å; M281-T319 HydrophobicContact SD-CG2 4.38Å; M281-V388 HydrophobicContact CE-CG1 4.38Å
282	E	95.5	Very high	94.9	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-75	-37	178.8	179.4	64.7	-153.7	0	0	111.1	H271 S273 I275 L277 H279 M280 V284 I285 S286	H271-E282 IonicContact CD2-OE1 3.85Å; H271-E282 PolarHBondContact CD2-OE1 3.06Å; H271-E282 IonicContact CD2-OE2 2.85Å; H271-E282 IonicContact CE1-OE2 3.13Å; H271-E282 VanDerWaalsContact NE2-CD 3.26Å; H271-E282 IonicContact NE2-OE1 2.7Å; H271-E282 PolarHBondContact NE2-OE1 3.34Å; H271-E282 IonicContact NE2-OE2 2.66Å; H271-E282 PolarHBondContact NE2-OE2 3.25Å; S273-E282 WeakPolarHBondContact CA-OE1 3.36Å; S273-E282 WeakPolarHBondContact CB-OE1 3.39Å; S273-E282 PolarHBondContact OG-OE1 2.86Å; I275-E282 HydrophobicContact CB-CB 4.23Å; I275-E282 HydrophobicContact CG2-CB 4.17Å; I275-E282 VanDerWaalsContact O-CG 3.24Å; I275-E282 WeakPolarHBondContact O-CG 3.47Å; L277-E282 HydrophobicContact CB-CG 4.39Å; L277-E282 HydrophobicContact CD2-CG 3.52Å; L277-E282 HydrophobicContact CG-CG 3.67Å; H279-E282 PolarHBondContact O-N 3.18Å; M280-E282 PolarHBondContact O-N 3.11Å; E282-V284 PolarHBondContact O-N 2.81Å; E282-I285 PolarHBondContact O-N 3.04Å; E282-S286 WeakPolarHBondContact O-CB 3.21Å; E282-S286 PolarHBondContact O-N 2.92Å; E282-S286 PolarHBondContact OE1-OG 2.98Å
283	Q	96.2	Very high	94.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-50.3	-56.7	172.6	-66	-86.5	2	0	0	110.8	W130 M228 I249 L277 H279 M280 S287	W130-Q283 VanDerWaalsContact CH2-NE2 3.31Å; M228-Q283 HydrophobicContact CE-CG 3.98Å; M228-Q283 VanDerWaalsContact CE-NE2 3.3Å; M228-Q283 VanDerWaalsContact CE-OE1 3.27Å; M228-Q283 HydrophobicContact SD-CG 4.42Å; I249-Q283 HydrophobicContact CD1-CB 4Å; L277-Q283 VanDerWaalsContact O-CD 3.24Å; L277-Q283 VanDerWaalsContact O-CG 3.3Å; L277-Q283 WeakPolarHBondContact O-CG 3.5Å; L277-Q283 PolarHBondContact O-NE2 3.3Å; H279-Q283 WeakPolarHBondContact O-CG 3.44Å; H279-Q283 PolarHBondContact O-N 2.82Å; H279-Q283 VanDerWaalsContact O-N 3.1Å; M280-Q283 WeakPolarHBondContact O-CB 3.2Å; M280-Q283 PolarHBondContact O-N 2.81Å; M280-Q283 HydrophobicContact SD-CB 4.29Å; Q283-S287 WeakPolarHBondContact O-CB 3.27Å; Q283-S287 PolarHBondContact O-N 3.49Å; Q283-S287 PolarHBondContact O-OG 2.8Å
284	V	96.7	Very high	95.1	Very high	6 Å²	6	12.3 Å²	12.3	4%	0.036	6%	0.064	C	C	.	.	H	α-helix	trans	-66.5	-41	-177.3	178.6	0	0	0	0	111.5	I249 A252 V253 I256 M280 E282 Y288	I249-V284 HydrophobicContact CG1-CG2 4.12Å; A252-V284 HydrophobicContact CB-CG1 3.93Å; A252-V284 HydrophobicContact CB-CG2 3.78Å; A252-V284 WeakPolarHBondContact O-CG1 3.37Å; V253-V284 HydrophobicContact CG2-CG1 4.1Å; I256-V284 HydrophobicContact CD1-CG1 3.7Å; I256-V284 HydrophobicContact CG1-CG1 4.34Å; M280-V284 HydrophobicContact CG-CG2 4.41Å; M280-V284 WeakPolarHBondContact O-CG2 3.48Å; M280-V284 PolarHBondContact O-N 3.42Å; M280-V284 HydrophobicContact SD-CG2 3.92Å; E282-V284 PolarHBondContact O-N 2.81Å; V284-Y288 WeakPolarHBondContact O-CB 3.46Å; V284-Y288 PolarHBondContact O-N 3Å
285	I	96.9	Very high	95.3	Very high	13 Å²	13	14.2 Å²	14.2	7%	0.067	7%	0.071	C	C	.	.	H	α-helix	trans	-69.2	-48.2	-178.5	-69.3	171.8	0	0	0	111.6	I256 M281 E282 S287 Y288 Y289 T319	I256-I285 HydrophobicContact CD1-CG1 3.93Å; M281-I285 HydrophobicContact CE-CD1 4.14Å; M281-I285 HydrophobicContact CG-CD1 3.98Å; M281-I285 WeakPolarHBondContact O-CB 3.47Å; M281-I285 WeakPolarHBondContact O-CD1 3.16Å; M281-I285 VanDerWaalsContact O-CG1 3.24Å; M281-I285 WeakPolarHBondContact O-CG1 3.18Å; M281-I285 PolarHBondContact O-N 2.95Å; E282-I285 PolarHBondContact O-N 3.04Å; I285-S287 VanDerWaalsContact C-N 3.31Å; I285-S287 PolarHBondContact O-N 3.3Å; I285-Y288 PolarHBondContact O-N 2.88Å; I285-Y289 HydrophobicContact CG2-CD2 4.08Å; I285-Y289 HydrophobicContact CG2-CE2 4.09Å; I285-Y289 WeakPolarHBondContact O-CD2 3.33Å; I285-Y289 PolarHBondContact O-N 2.94Å; I285-T319 HydrophobicContact CD1-CG2 3.52Å
286	S	97.3	Very high	95.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-39.5	176.3	-88.7	0	0	0	0	111.4	E282 Y288 Y289 I290 L296	E282-S286 WeakPolarHBondContact O-CB 3.21Å; E282-S286 PolarHBondContact O-N 2.92Å; E282-S286 PolarHBondContact OE1-OG 2.98Å; S286-Y288 PolarHBondContact O-N 3.26Å; S286-Y289 PolarHBondContact O-N 2.77Å; S286-I290 WeakPolarHBondContact O-CG1 3.46Å; S286-I290 PolarHBondContact O-N 2.86Å; S286-L296 WeakPolarHBondContact OG-CD1 3.29Å
287	S	97.8	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62	-40.8	173.9	-56.9	0	0	0	0	112.7	M60 V63 Q283 I285 I290 M291	M60-S287 WeakPolarHBondContact CE-OG 3.4Å; V63-S287 WeakPolarHBondContact CG1-O 3.17Å; Q283-S287 WeakPolarHBondContact O-CB 3.27Å; Q283-S287 PolarHBondContact O-N 3.49Å; Q283-S287 PolarHBondContact O-OG 2.8Å; I285-S287 VanDerWaalsContact C-N 3.31Å; I285-S287 PolarHBondContact O-N 3.3Å; S287-I290 PolarHBondContact O-N 3.35Å; S287-M291 WeakPolarHBondContact O-CB 3.35Å; S287-M291 PolarHBondContact O-N 2.73Å
288	Y	97.4	Very high	95.8	Very high	1 Å²	1	11.6 Å²	11.6	0%	0.004	5%	0.054	C	C	.	.	H	α-helix	trans	-64.8	-42.7	175.3	174.2	-115.7	0	0	0	112.6	V253 I256 L257 S260 I265 V284 I285 S286 I290 M291 I292	V253-Y288 HydrophobicContact CG1-CD2 4.15Å; I256-Y288 HydrophobicContact CB-CD1 4.37Å; I256-Y288 HydrophobicContact CB-CG 4.31Å; I256-Y288 HydrophobicContact CG2-CD1 3.6Å; I256-Y288 HydrophobicContact CG2-CD2 4.45Å; I256-Y288 HydrophobicContact CG2-CE1 3.61Å; I256-Y288 HydrophobicContact CG2-CE2 4.5Å; I256-Y288 HydrophobicContact CG2-CG 4.03Å; L257-Y288 HydrophobicContact CB-CD2 4.46Å; L257-Y288 HydrophobicContact CB-CE2 3.75Å; L257-Y288 HydrophobicContact CD1-CE2 4Å; L257-Y288 HydrophobicContact CG-CE2 4.36Å; S260-Y288 PolarHBondContact OG-OH 2.78Å; I265-Y288 HydrophobicContact CB-CE1 3.95Å; I265-Y288 HydrophobicContact CD1-CD1 4.28Å; I265-Y288 HydrophobicContact CD1-CE1 3.71Å; I265-Y288 HydrophobicContact CG1-CE1 4.43Å; I265-Y288 HydrophobicContact CG2-CE1 4.02Å; V284-Y288 WeakPolarHBondContact O-CB 3.46Å; V284-Y288 PolarHBondContact O-N 3Å; I285-Y288 PolarHBondContact O-N 2.88Å; S286-Y288 PolarHBondContact O-N 3.26Å; Y288-I290 VanDerWaalsContact C-N 3.33Å; Y288-I290 PolarHBondContact O-N 3.42Å; Y288-M291 HydrophobicContact CD2-CE 4.09Å; Y288-M291 HydrophobicContact CE2-CE 4.36Å; Y288-M291 PolarHBondContact O-N 3.2Å; Y288-I292 HydrophobicContact CD2-CG1 3.99Å; Y288-I292 HydrophobicContact CE2-CD1 3.92Å; Y288-I292 HydrophobicContact CE2-CG1 3.49Å; Y288-I292 VanDerWaalsContact CE2-CG1 3.49Å; Y288-I292 WeakPolarHBondContact O-CG1 3.29Å; Y288-I292 PolarHBondContact O-N 3.22Å
289	Y	98.1	Very high	95.8	Very high	3 Å²	3	13 Å²	13	1%	0.012	6%	0.06	C	C	.	.	H	α-helix	trans	-63.2	-39.8	174.1	-90	-103.4	0	0	0	112	I265 S270 H271 I285 S286 I292 G293 A294 L296	I265-Y289 HydrophobicContact CD1-CD2 4.44Å; I265-Y289 HydrophobicContact CD1-CE2 3.54Å; I265-Y289 WeakPolarHBondContact CD1-OH 3.47Å; I265-Y289 HydrophobicContact CG1-CE1 4.44Å; I265-Y289 HydrophobicContact CG1-CE2 4.31Å; I265-Y289 HydrophobicContact CG2-CD1 4.26Å; I265-Y289 HydrophobicContact CG2-CE1 4.04Å; I265-Y289 HydrophobicContact CG2-CE2 4.46Å; S270-Y289 VanDerWaalsContact C-CE1 3.44Å; H271-Y289 HydrophobicContact CB-CD1 3.68Å; H271-Y289 HydrophobicContact CB-CD2 3.84Å; H271-Y289 HydrophobicContact CB-CE1 3.74Å; H271-Y289 HydrophobicContact CB-CE2 3.86Å; H271-Y289 HydrophobicContact CB-CG 3.73Å; H271-Y289 VanDerWaalsContact N-CE1 3.32Å; I285-Y289 HydrophobicContact CG2-CD2 4.08Å; I285-Y289 HydrophobicContact CG2-CE2 4.09Å; I285-Y289 WeakPolarHBondContact O-CD2 3.33Å; I285-Y289 PolarHBondContact O-N 2.94Å; S286-Y289 PolarHBondContact O-N 2.77Å; Y289-I292 PolarHBondContact O-N 2.75Å; Y289-G293 PolarHBondContact O-N 3.03Å; Y289-A294 HydrophobicContact CD1-CB 3.6Å; Y289-A294 HydrophobicContact CE1-CB 4.43Å; Y289-A294 HydrophobicContact CG-CB 4.32Å; Y289-A294 WeakPolarHBondContact O-CA 3.33Å; Y289-A294 VanDerWaalsContact O-CB 3.3Å; Y289-A294 WeakPolarHBondContact O-CB 3.27Å; Y289-A294 PolarHBondContact O-N 2.85Å; Y289-L296 HydrophobicContact CG-CD2 4.46Å
290	I	98	Very high	95.6	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-63.3	-48.3	175.1	-72.4	171.8	0	0	0	110.7	V63 F64 G67 Y92 I131 H135 S286 S287 Y288 I292 G293 L296	V63-I290 HydrophobicContact CG1-CB 4.44Å; V63-I290 HydrophobicContact CG1-CG2 4.08Å; F64-I290 HydrophobicContact CB-CG2 4.32Å; F64-I290 HydrophobicContact CD2-CG2 3.87Å; G67-I290 WeakPolarHBondContact CA-O 3.1Å; Y92-I290 HydrophobicContact CE1-CG2 4.38Å; Y92-I290 WeakPolarHBondContact OH-CA 3.34Å; Y92-I290 PolarHBondContact OH-O 2.85Å; Y92-I290 VanDerWaalsContact OH-O 3.1Å; I131-I290 HydrophobicContact CG2-CD1 3.65Å; H135-I290 VanDerWaalsContact NE2-CD1 3.29Å; H135-I290 WeakPolarHBondContact NE2-CD1 3.32Å; S286-I290 WeakPolarHBondContact O-CG1 3.46Å; S286-I290 PolarHBondContact O-N 2.86Å; S287-I290 PolarHBondContact O-N 3.35Å; Y288-I290 VanDerWaalsContact C-N 3.33Å; Y288-I290 PolarHBondContact O-N 3.42Å; I290-I292 VanDerWaalsContact C-N 3.31Å; I290-I292 PolarHBondContact O-N 3.14Å; I290-G293 PolarHBondContact O-N 2.93Å; I290-L296 HydrophobicContact CD1-CD1 3.84Å; I290-L296 HydrophobicContact CG1-CD1 4.11Å; I290-L296 HydrophobicContact CG1-CG 4.4Å
291	M	97.2	Very high	95	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-56.2	-43.5	177.9	-168.6	179.9	69	0	0	112.3	I55 V57 V63 Y66 V253 F254 L257 S287 Y288 G293	I55-M291 HydrophobicContact CG2-SD 4.48Å; V57-M291 HydrophobicContact CB-SD 4.33Å; V57-M291 HydrophobicContact CG1-SD 4.06Å; V57-M291 HydrophobicContact CG2-CG 4.41Å; V57-M291 HydrophobicContact CG2-SD 4.24Å; V63-M291 HydrophobicContact CG1-CB 4.17Å; V63-M291 WeakPolarHBondContact O-CA 3.39Å; Y66-M291 HydrophobicContact CD1-CG 3.97Å; Y66-M291 WeakPolarHBondContact CD1-O 3.42Å; V253-M291 HydrophobicContact CG1-CB 4.41Å; V253-M291 HydrophobicContact CG1-CE 3.62Å; V253-M291 HydrophobicContact CG1-SD 3.76Å; F254-M291 HydrophobicContact CZ-SD 4.39Å; L257-M291 HydrophobicContact CD2-CE 3.89Å; S287-M291 WeakPolarHBondContact O-CB 3.35Å; S287-M291 PolarHBondContact O-N 2.73Å; Y288-M291 HydrophobicContact CD2-CE 4.09Å; Y288-M291 HydrophobicContact CE2-CE 4.36Å; Y288-M291 PolarHBondContact O-N 3.2Å; M291-G293 PolarHBondContact O-N 2.88Å; M291-G293 VanDerWaalsContact O-N 3.12Å
292	I	96	Very high	94.6	Very high	18 Å²	18	15.1 Å²	15.1	9%	0.092	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	3.9	-179.4	-61.1	-65	0	0	0	112.6	L257 I265 S267 Y288 Y289 I290 A294	L257-I292 HydrophobicContact CD1-CD1 4.12Å; I265-I292 HydrophobicContact CG2-CG2 4.18Å; S267-I292 WeakPolarHBondContact CA-O 3.43Å; S267-I292 WeakPolarHBondContact CB-O 3.28Å; Y288-I292 HydrophobicContact CD2-CG1 3.99Å; Y288-I292 HydrophobicContact CE2-CD1 3.92Å; Y288-I292 HydrophobicContact CE2-CG1 3.49Å; Y288-I292 VanDerWaalsContact CE2-CG1 3.49Å; Y288-I292 WeakPolarHBondContact O-CG1 3.29Å; Y288-I292 PolarHBondContact O-N 3.22Å; Y289-I292 PolarHBondContact O-N 2.75Å; I290-I292 VanDerWaalsContact C-N 3.31Å; I290-I292 PolarHBondContact O-N 3.14Å; I292-A294 PolarHBondContact O-N 3.35Å
293	G	97.4	Very high	94.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	17.9	-177.7	0	0	0	0	0	113	S71 Y92 S267 Y289 I290 M291	S71-G293 VanDerWaalsContact CB-O 3.28Å; S71-G293 WeakPolarHBondContact CB-O 3.36Å; S71-G293 PolarHBondContact OG-O 3.09Å; S71-G293 VanDerWaalsContact OG-O 3.13Å; Y92-G293 WeakPolarHBondContact OH-CA 3.4Å; S267-G293 WeakPolarHBondContact CB-O 3.47Å; S267-G293 VanDerWaalsContact O-O 3.13Å; Y289-G293 PolarHBondContact O-N 3.03Å; I290-G293 PolarHBondContact O-N 2.93Å; M291-G293 PolarHBondContact O-N 2.88Å; M291-G293 VanDerWaalsContact O-N 3.12Å
294	A	97.7	Very high	93.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.139	C	C	.	.			trans	-83.2	-166.7	177.3	0	0	0	0	0	110.7	Y92 S267 Y289 I292	Y92-A294 WeakPolarHBondContact CE2-O 3.41Å; Y92-A294 PolarHBondContact OH-N 2.75Å; Y92-A294 PolarHBondContact OH-O 3.4Å; S267-A294 WeakPolarHBondContact O-CA 3.32Å; Y289-A294 HydrophobicContact CD1-CB 3.6Å; Y289-A294 HydrophobicContact CE1-CB 4.43Å; Y289-A294 HydrophobicContact CG-CB 4.32Å; Y289-A294 WeakPolarHBondContact O-CA 3.33Å; Y289-A294 VanDerWaalsContact O-CB 3.3Å; Y289-A294 WeakPolarHBondContact O-CB 3.27Å; Y289-A294 PolarHBondContact O-N 2.85Å; I292-A294 PolarHBondContact O-N 3.35Å
295	R	97.1	Very high	93.3	Very high	63 Å²	63	29.8 Å²	29.8	24%	0.238	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.8	-171	72.9	-160.1	144.8	161.9	-10.9	114.3	P75 C76 W89 N268 S269 S270 H271	P75-R295 VanDerWaalsContact O-CB 3.32Å; P75-R295 WeakPolarHBondContact O-CB 3.49Å; C76-R295 CarbonylContact O-C 3.51Å; C76-R295 WeakPolarHBondContact O-CA 3.3Å; C76-R295 VanDerWaalsContact O-CB 3.31Å; C76-R295 WeakPolarHBondContact O-CB 3.5Å; W89-R295 HydrophobicContact CE3-CB 4.26Å; W89-R295 HydrophobicContact CE3-CG 4.43Å; W89-R295 HydrophobicContact CH2-CB 4.21Å; W89-R295 HydrophobicContact CH2-CG 3.63Å; W89-R295 HydrophobicContact CZ3-CB 3.62Å; W89-R295 HydrophobicContact CZ3-CG 3.58Å; N268-R295 PolarHBondContact O-NH2 3.5Å; S269-R295 WeakPolarHBondContact O-CG 3.35Å; S269-R295 PolarHBondContact O-NE 3.06Å; S270-R295 VanDerWaalsContact CA-O 3.31Å; S270-R295 WeakPolarHBondContact CA-O 3.34Å; H271-R295 PolarHBondContact N-O 3.43Å
296	L	97.7	Very high	93	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	119.1	-179.6	-48.4	-176	0	0	0	110.1	C76 L77 R78 W89 I131 H271 S286 Y289 I290 F298	C76-L296 PolarHBondContact O-N 3.06Å; L77-L296 HydrophobicContact CD2-CB 3.92Å; L77-L296 HydrophobicContact CD2-CD1 3.87Å; L77-L296 HydrophobicContact CD2-CG 4.03Å; R78-L296 PolarHBondContact N-O 3.45Å; R78-L296 VanDerWaalsContact N-O 3.09Å; W89-L296 WeakPolarHBondContact CZ3-O 3.18Å; I131-L296 HydrophobicContact CD1-CD1 3.71Å; I131-L296 HydrophobicContact CG1-CD1 3.92Å; I131-L296 HydrophobicContact CG2-CD1 4.41Å; H271-L296 HydrophobicContact CB-CD2 3.89Å; S286-L296 WeakPolarHBondContact OG-CD1 3.29Å; Y289-L296 HydrophobicContact CG-CD2 4.46Å; I290-L296 HydrophobicContact CD1-CD1 3.84Å; I290-L296 HydrophobicContact CG1-CD1 4.11Å; I290-L296 HydrophobicContact CG1-CG 4.4Å; L296-F298 HydrophobicContact CB-CE2 4.4Å; L296-F298 HydrophobicContact CB-CZ 4Å; L296-F298 HydrophobicContact CD1-CZ 4.49Å
297	G	95.2	Very high	92.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	136.7	162.6	0	0	0	0	0	109.8	H271 L272 S273	H271-G297 PolarHBondContact O-N 2.88Å; L272-G297 CarbonylContact C-O 3.56Å; L272-G297 WeakPolarHBondContact CA-O 3.41Å; S273-G297 PolarHBondContact N-O 2.76Å
298	F	93.4	Very high	92.4	Very high	8 Å²	8	36 Å²	36	4%	0.035	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	166.7	173.5	-54.9	-78	0	0	0	110.7	L77 R78 N126 P128 I131 L277 L296	L77-F298 HydrophobicContact CB-CE2 4.35Å; L77-F298 HydrophobicContact CD2-CE2 4.36Å; L77-F298 HydrophobicContact CD2-CZ 4.18Å; R78-F298 PolarHBondContact NH1-O 3.01Å; R78-F298 VanDerWaalsContact NH1-O 3.13Å; N126-F298 HydrophobicContact CB-CD1 3.92Å; N126-F298 HydrophobicContact CB-CE1 4.46Å; P128-F298 HydrophobicContact CB-CE2 4.18Å; P128-F298 HydrophobicContact CG-CD2 3.84Å; P128-F298 HydrophobicContact CG-CE2 3.68Å; I131-F298 HydrophobicContact CG1-CE1 4.13Å; I131-F298 HydrophobicContact CG1-CZ 3.85Å; L277-F298 HydrophobicContact CD1-CE1 4.17Å; L296-F298 HydrophobicContact CB-CE2 4.4Å; L296-F298 HydrophobicContact CB-CZ 4Å; L296-F298 HydrophobicContact CD1-CZ 4.49Å
299	L	89.8	Confident	92.2	Very high	37 Å²	37	36 Å²	36	19%	0.194	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-58.7	150	160.1	-67.9	177.6	0	0	0	109.8	L306	L299-L306 HydrophobicContact CD2-CB 4.21Å; L299-L306 HydrophobicContact CD2-CD1 4.13Å
300	T	85.2	Confident	92	Very high	23 Å²	23	35.9 Å²	35.9	14%	0.141	19%	0.185	C	C	.	.	S	Bend	trans	-66.6	-48.1	166.9	36.4	0	0	0	0	111.5	R80 Y87 N305 D309	R80-T300 WeakPolarHBondContact CD-O 3.33Å; R80-T300 VanDerWaalsContact CZ-O 3.26Å; R80-T300 PolarHBondContact NE-O 2.93Å; R80-T300 PolarHBondContact NH1-O 2.88Å; Y87-T300 HydrophobicContact CE1-CG2 3.73Å; Y87-T300 WeakPolarHBondContact OH-CG2 3.5Å; T300-N305 WeakPolarHBondContact OG1-CB 3.3Å; T300-N305 PolarHBondContact OG1-ND2 2.65Å; T300-D309 WeakPolarHBondContact CB-OD2 3.4Å; T300-D309 WeakPolarHBondContact CG2-OD2 3.34Å; T300-D309 PolarHBondContact N-OD2 2.84Å; T300-D309 PolarHBondContact OG1-OD2 3.47Å
301	D	81.2	Confident	91.8	Very high	107 Å²	107	39.6 Å²	39.6	57%	0.572	20%	0.203	S	C	*	.	S	Bend	trans	-145.7	-88.7	-160.6	-152.3	82.8	0	0	0	110.7	R80 N305	R80-D301 IonicContact CZ-OD1 3.58Å; R80-D301 IonicContact NH1-OD1 2.93Å; R80-D301 PolarHBondContact NH1-OD1 3.24Å; R80-D301 IonicContact NH2-OD1 3.9Å; R80-D301 PolarHBondContact NH2-OD1 3.07Å; D301-N305 WeakPolarHBondContact CB-ND2 3.37Å
302	S	84.5	Confident	91.5	Very high	37 Å²	37	41.8 Å²	41.8	26%	0.259	22%	0.221	S	C	.	.	S	Bend	trans	-113.8	174.1	176.9	83.1	0	0	0	0	112.5	E304 N305	S302-E304 PolarHBondContact O-N 3.04Å; S302-E304 VanDerWaalsContact O-N 3.11Å; S302-E304 WeakPolarHBondContact OG-CB 3.36Å; S302-E304 WeakPolarHBondContact OG-CG 3.3Å; S302-E304 PolarHBondContact OG-N 3.39Å; S302-N305 PolarHBondContact O-N 3.39Å; S302-N305 VanDerWaalsContact O-N 3.11Å
303	I	85.5	Confident	91.3	Very high	97 Å²	97	41.7 Å²	41.7	50%	0.497	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.8	-19.7	173.4	-168.6	62.1	0	0	0	113.4	Y274 N305 L306	Y274-I303 HydrophobicContact CD2-CD1 3.52Å; Y274-I303 HydrophobicContact CE2-CD1 3.83Å; I303-N305 VanDerWaalsContact C-N 3.28Å; I303-N305 PolarHBondContact O-N 2.92Å; I303-L306 HydrophobicContact CD1-CB 4.3Å; I303-L306 HydrophobicContact CD1-CD2 4.02Å; I303-L306 WeakPolarHBondContact O-CB 3.3Å; I303-L306 PolarHBondContact O-N 3.01Å
304	E	85.8	Confident	91.1	Very high	166 Å²	166	46.3 Å²	46.3	78%	0.776	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66.2	-33.1	177.5	-56.8	-179.9	144.2	0	0	111.5	S302 L306	S302-E304 PolarHBondContact O-N 3.04Å; S302-E304 VanDerWaalsContact O-N 3.11Å; S302-E304 WeakPolarHBondContact OG-CB 3.36Å; S302-E304 WeakPolarHBondContact OG-CG 3.3Å; S302-E304 PolarHBondContact OG-N 3.39Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 3.16Å
305	N	89.2	Confident	91	Very high	52 Å²	52	46.3 Å²	46.3	28%	0.278	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-78.8	-1.6	177	-73.4	-17.4	0	0	0	113.9	T300 D301 S302 I303 M307 V308 D309	T300-N305 WeakPolarHBondContact OG1-CB 3.3Å; T300-N305 PolarHBondContact OG1-ND2 2.65Å; D301-N305 WeakPolarHBondContact CB-ND2 3.37Å; S302-N305 PolarHBondContact O-N 3.39Å; S302-N305 VanDerWaalsContact O-N 3.11Å; I303-N305 VanDerWaalsContact C-N 3.28Å; I303-N305 PolarHBondContact O-N 2.92Å; N305-M307 PolarHBondContact O-N 3.45Å; N305-M307 VanDerWaalsContact O-N 3.07Å; N305-V308 WeakPolarHBondContact O-CA 3.4Å; N305-V308 WeakPolarHBondContact O-CB 3.34Å; N305-V308 PolarHBondContact O-N 2.91Å; N305-D309 PolarHBondContact O-N 3.31Å
306	L	91.2	Very high	90.9	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-47.4	-43	-177.8	177	65.5	0	0	0	113.4	L272 Y274 L299 I303 E304 A310 V324	L272-L306 HydrophobicContact CD2-CD1 3.72Å; L272-L306 HydrophobicContact CG-CD1 4.44Å; Y274-L306 HydrophobicContact CD1-CD1 3.49Å; Y274-L306 VanDerWaalsContact CD1-CD1 3.49Å; Y274-L306 HydrophobicContact CD2-CD1 3.97Å; Y274-L306 HydrophobicContact CE1-CD1 3.72Å; Y274-L306 HydrophobicContact CE2-CD1 4.18Å; Y274-L306 HydrophobicContact CE2-CD2 4.16Å; Y274-L306 HydrophobicContact CG-CD1 3.61Å; L299-L306 HydrophobicContact CD2-CB 4.21Å; L299-L306 HydrophobicContact CD2-CD1 4.13Å; I303-L306 HydrophobicContact CD1-CB 4.3Å; I303-L306 HydrophobicContact CD1-CD2 4.02Å; I303-L306 WeakPolarHBondContact O-CB 3.3Å; I303-L306 PolarHBondContact O-N 3.01Å; E304-L306 VanDerWaalsContact C-N 3.26Å; E304-L306 PolarHBondContact O-N 3.16Å; L306-A310 VanDerWaalsContact O-CB 3.23Å; L306-A310 WeakPolarHBondContact O-CB 3.41Å; L306-A310 PolarHBondContact O-N 2.69Å; L306-V324 HydrophobicContact CD2-CG1 4.07Å
307	M	91.9	Very high	90.8	Very high	54 Å²	54	44 Å²	44	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-72.2	-36.2	179.9	-59.4	-66.1	157.1	0	0	112.2	N305 Q311 I328 L379 L380	N305-M307 PolarHBondContact O-N 3.45Å; N305-M307 VanDerWaalsContact O-N 3.07Å; M307-Q311 VanDerWaalsContact O-CB 3.3Å; M307-Q311 WeakPolarHBondContact O-CB 3.46Å; M307-Q311 VanDerWaalsContact O-CG 3.23Å; M307-Q311 WeakPolarHBondContact O-CG 3.15Å; M307-Q311 PolarHBondContact O-N 2.93Å; M307-I328 HydrophobicContact CE-CD1 3.97Å; M307-I328 HydrophobicContact CE-CG1 3.99Å; M307-L379 HydrophobicContact SD-CB 4Å; M307-L380 HydrophobicContact CE-CD2 4.21Å; M307-L380 HydrophobicContact SD-CD2 3.68Å
308	V	91.3	Very high	90.8	Very high	78 Å²	78	44.5 Å²	44.5	47%	0.473	24%	0.239	S	C	.	.	H	α-helix	trans	-68.9	-42.7	177.6	-179.2	0	0	0	0	110.2	N305 Q311 A312	N305-V308 WeakPolarHBondContact O-CA 3.4Å; N305-V308 WeakPolarHBondContact O-CB 3.34Å; N305-V308 PolarHBondContact O-N 2.91Å; V308-Q311 WeakPolarHBondContact O-CB 3.37Å; V308-Q311 PolarHBondContact O-N 3.39Å; V308-A312 PolarHBondContact O-N 3.31Å
309	D	92.3	Very high	90.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-73.3	-36.6	178.1	-84.8	-58.8	0	0	0	113	R78 L272 T300 N305 Q311 A312 L313	R78-D309 IonicContact CZ-OD1 3.32Å; R78-D309 VanDerWaalsContact CZ-OD1 3.28Å; R78-D309 IonicContact NH1-OD1 2.73Å; R78-D309 PolarHBondContact NH1-OD1 2.99Å; R78-D309 IonicContact NH2-OD1 2.8Å; R78-D309 PolarHBondContact NH2-OD1 3.37Å; L272-D309 HydrophobicContact CD1-CB 4.22Å; T300-D309 WeakPolarHBondContact CB-OD2 3.4Å; T300-D309 WeakPolarHBondContact CG2-OD2 3.34Å; T300-D309 PolarHBondContact N-OD2 2.84Å; T300-D309 PolarHBondContact OG1-OD2 3.47Å; N305-D309 PolarHBondContact O-N 3.31Å; D309-Q311 VanDerWaalsContact C-N 3.29Å; D309-Q311 PolarHBondContact O-N 3.41Å; D309-A312 PolarHBondContact O-N 2.91Å; D309-L313 WeakPolarHBondContact O-CB 3.21Å; D309-L313 PolarHBondContact O-N 2.95Å
310	A	93.6	Very high	91	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-37.9	167.4	0	0	0	0	0	111.8	L272 L306 K314 P315 L380 G381	L272-A310 HydrophobicContact CD2-CB 3.86Å; L306-A310 VanDerWaalsContact O-CB 3.23Å; L306-A310 WeakPolarHBondContact O-CB 3.41Å; L306-A310 PolarHBondContact O-N 2.69Å; A310-K314 WeakPolarHBondContact O-CA 3.17Å; A310-K314 PolarHBondContact O-N 3.38Å; A310-P315 WeakPolarHBondContact O-CD 3.45Å; A310-L380 HydrophobicContact CB-CD2 4.39Å; A310-G381 WeakPolarHBondContact O-CA 3.49Å
311	Q	93.7	Very high	91.2	Very high	80 Å²	80	43.9 Å²	43.9	37%	0.374	24%	0.237	S	C	.	.	H	α-helix	trans	-66.8	-35.6	174.4	-82.6	178	-6.5	0	0	114.3	M307 V308 D309 K314 K378	M307-Q311 VanDerWaalsContact O-CB 3.3Å; M307-Q311 WeakPolarHBondContact O-CB 3.46Å; M307-Q311 VanDerWaalsContact O-CG 3.23Å; M307-Q311 WeakPolarHBondContact O-CG 3.15Å; M307-Q311 PolarHBondContact O-N 2.93Å; V308-Q311 WeakPolarHBondContact O-CB 3.37Å; V308-Q311 PolarHBondContact O-N 3.39Å; D309-Q311 VanDerWaalsContact C-N 3.29Å; D309-Q311 PolarHBondContact O-N 3.41Å; Q311-K314 WeakPolarHBondContact O-CE 3.33Å; Q311-K314 WeakPolarHBondContact O-CG 3.39Å; Q311-K378 VanDerWaalsContact CG-O 3.23Å; Q311-K378 WeakPolarHBondContact CG-O 3.43Å; Q311-K378 PolarHBondContact NE2-O 3.24Å
312	A	90.9	Very high	91.4	Very high	46 Å²	46	39.2 Å²	39.2	38%	0.38	21%	0.212	S	C	.	.	H	α-helix	trans	-74.8	-45.9	176.3	0	0	0	0	0	111.8	Y87 V308 D309	Y87-A312 HydrophobicContact CE2-CB 4.18Å; V308-A312 PolarHBondContact O-N 3.31Å; D309-A312 PolarHBondContact O-N 2.91Å
313	L	92.7	Very high	91.2	Very high	15 Å²	15	47.1 Å²	47.1	8%	0.079	24%	0.237	C	C	.	.	H	α-helix	trans	-73.1	-37.1	-177.3	-174.3	69.3	0	0	0	113.3	W89 H271 L272 D309 P315	W89-L313 HydrophobicContact CH2-CD1 3.62Å; W89-L313 HydrophobicContact CZ2-CD1 3.78Å; H271-L313 VanDerWaalsContact O-CD2 3.31Å; H271-L313 WeakPolarHBondContact O-CD2 3.4Å; L272-L313 HydrophobicContact CB-CD2 3.8Å; L272-L313 HydrophobicContact CD1-CD2 4.09Å; L272-L313 HydrophobicContact CG-CD2 4.46Å; D309-L313 WeakPolarHBondContact O-CB 3.21Å; D309-L313 PolarHBondContact O-N 2.95Å; L313-P315 HydrophobicContact CD2-CB 4.39Å
314	K	94	Very high	91.2	Very high	97 Å²	97	43.7 Å²	43.7	42%	0.422	22%	0.22	S	C	.	.			trans	54.6	57.9	-178.2	-52.2	174.7	-173	166.8	0	112.8	A310 Q311 R383	A310-K314 WeakPolarHBondContact O-CA 3.17Å; A310-K314 PolarHBondContact O-N 3.38Å; Q311-K314 WeakPolarHBondContact O-CE 3.33Å; Q311-K314 WeakPolarHBondContact O-CG 3.39Å; K314-R383 HydrophobicContact CB-CG 4.33Å; K314-R383 WeakPolarHBondContact O-CD 3.4Å
315	P	95.3	Very high	91.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.			trans	-67.1	153.3	-178	30.8	-35.5	0	0	0	112.1	S270 A310 L313 I318 R383 V384	S270-P315 WeakPolarHBondContact O-CB 3.37Å; A310-P315 WeakPolarHBondContact O-CD 3.45Å; L313-P315 HydrophobicContact CD2-CB 4.39Å; P315-I318 HydrophobicContact CB-CD1 4.47Å; P315-I318 HydrophobicContact CG-CD1 3.51Å; P315-I318 HydrophobicContact CG-CG1 3.99Å; P315-R383 CarbonylContact O-C 3.51Å; P315-R383 WeakPolarHBondContact O-CB 3.44Å; P315-V384 PolarHBondContact O-N 3.33Å
316	G	94.5	Very high	91.2	Very high	13 Å²	13	35.1 Å²	35.1	13%	0.134	18%	0.182	C	C	.	.	S	Bend	trans	-88.2	-27.3	173.1	0	0	0	0	0	113.4	V384 Y385 C386	G316-V384 WeakPolarHBondContact O-CA 3.33Å; G316-Y385 VanDerWaalsContact CA-CE1 3.43Å; G316-Y385 WeakPolarHBondContact O-CD1 3.36Å; G316-Y385 WeakPolarHBondContact O-CE1 3.38Å; G316-Y385 PolarHBondContact O-N 3.28Å; G316-C386 PolarHBondContact O-N 3.34Å
317	V	96	Very high	90.8	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134.1	175.8	-172.6	0	0	0	0	107.9	I265 Y385 C386 V388	I265-V317 HydrophobicContact CD1-CG2 4.3Å; I265-V317 HydrophobicContact CG1-CG2 4.04Å; V317-Y385 HydrophobicContact CG2-CE2 3.94Å; V317-C386 WeakPolarHBondContact CA-O 3.35Å; V317-C386 HydrophobicContact CG1-CB 4.13Å; V317-C386 HydrophobicContact CG2-CB 4.14Å; V317-V388 HydrophobicContact CG1-CG2 3.69Å
318	I	95.6	Very high	90.8	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.051	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.7	171.6	-78	-76.3	0	0	0	108.1	P315 A320 L380 V384 C386 V387 V388	P315-I318 HydrophobicContact CB-CD1 4.47Å; P315-I318 HydrophobicContact CG-CD1 3.51Å; P315-I318 HydrophobicContact CG-CG1 3.99Å; I318-A320 HydrophobicContact CG2-CB 4.44Å; I318-L380 HydrophobicContact CG1-CB 4.47Å; I318-L380 HydrophobicContact CG1-CD1 4.34Å; I318-V384 HydrophobicContact CG1-CG1 4.41Å; I318-V384 HydrophobicContact CG1-CG2 3.63Å; I318-C386 PolarHBondContact N-O 2.98Å; I318-C386 VanDerWaalsContact N-O 3.16Å; I318-V387 CarbonylContact O-C 3.58Å; I318-V387 VanDerWaalsContact O-CA 3.28Å; I318-V387 WeakPolarHBondContact O-CA 3.36Å; I318-V388 PolarHBondContact O-N 2.85Å
319	T	95.6	Very high	90.8	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.025	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139	163.8	-49.8	0	0	0	0	109.2	Y274 I275 M281 I285 V388	Y274-T319 VanDerWaalsContact CE1-O 3.26Å; Y274-T319 WeakPolarHBondContact CE1-O 3.44Å; Y274-T319 PolarHBondContact OH-O 2.67Å; I275-T319 HydrophobicContact CD1-CG2 3.66Å; M281-T319 HydrophobicContact CE-CG2 3.53Å; M281-T319 HydrophobicContact SD-CG2 4.38Å; I285-T319 HydrophobicContact CD1-CG2 3.52Å; T319-V388 CarbonylContact C-O 3.59Å; T319-V388 WeakPolarHBondContact CA-O 3.5Å; T319-V388 HydrophobicContact CG2-CB 4.27Å; T319-V388 HydrophobicContact CG2-CG1 4.38Å
320	A	91.7	Very high	90.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	151.3	175.9	0	0	0	0	0	112.7	Y274 I318 V324 L325 V388 S389 G390	Y274-A320 WeakPolarHBondContact OH-CA 3.33Å; I318-A320 HydrophobicContact CG2-CB 4.44Å; A320-V324 HydrophobicContact CB-CB 4.41Å; A320-V324 HydrophobicContact CB-CG1 4.46Å; A320-L325 HydrophobicContact CB-CD1 4.22Å; A320-L325 HydrophobicContact CB-CD2 3.74Å; A320-L325 HydrophobicContact CB-CG 3.78Å; A320-V388 PolarHBondContact N-O 3.13Å; A320-S389 WeakPolarHBondContact O-CA 3.37Å; A320-G390 PolarHBondContact O-N 2.75Å
321	V	88.1	Confident	90.3	Very high	50 Å²	50	47.5 Å²	47.5	30%	0.303	24%	0.239	S	C	.	.			trans	-84.8	149.6	162.6	-62.7	0	0	0	0	109.6	I275 R323 V324	I275-V321 HydrophobicContact CD1-CG1 4.24Å; V321-R323 VanDerWaalsContact C-N 3.26Å; V321-R323 PolarHBondContact O-N 3.44Å; V321-R323 VanDerWaalsContact O-N 3.09Å; V321-V324 HydrophobicContact CG2-CB 4.5Å; V321-V324 HydrophobicContact CG2-CG2 3.88Å; V321-V324 WeakPolarHBondContact O-CB 3.37Å; V321-V324 PolarHBondContact O-N 3.37Å
322	P	85.3	Confident	90.3	Very high	10 Å²	10	44.8 Å²	44.8	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-49.7	-40.4	-176.3	-32.1	35.8	0	0	0	114.7	V324 L325 S326 G390 A392 P393 L394	P322-V324 PolarHBondContact O-N 3.21Å; P322-V324 VanDerWaalsContact O-N 3.17Å; P322-L325 CarbonylContact O-C 3.58Å; P322-L325 WeakPolarHBondContact O-CA 3.21Å; P322-L325 PolarHBondContact O-N 3.29Å; P322-S326 PolarHBondContact O-N 3.2Å; P322-S326 PolarHBondContact O-OG 2.87Å; P322-G390 WeakPolarHBondContact CD-O 3.49Å; P322-A392 HydrophobicContact CG-CB 4.05Å; P322-A392 VanDerWaalsContact CG-O 3.28Å; P322-A392 WeakPolarHBondContact CG-O 3.31Å; P322-P393 WeakPolarHBondContact CB-O 3.31Å; P322-P393 VanDerWaalsContact CG-O 3.25Å; P322-P393 WeakPolarHBondContact CG-O 3.03Å; P322-L394 HydrophobicContact CB-CD1 3.84Å; P322-L394 HydrophobicContact CG-CB 4.43Å; P322-L394 HydrophobicContact CG-CD1 4.22Å
323	R	81	Confident	90.3	Very high	203 Å²	203	43.6 Å²	43.6	77%	0.766	21%	0.212	S	C	*	.	H	α-helix	trans	-56.3	-33.5	177.7	-168.4	175.4	-175.9	-174	1.4	113.6	V321 N327	V321-R323 VanDerWaalsContact C-N 3.26Å; V321-R323 PolarHBondContact O-N 3.44Å; V321-R323 VanDerWaalsContact O-N 3.09Å; R323-N327 VanDerWaalsContact O-CB 3.31Å; R323-N327 WeakPolarHBondContact O-CB 3.4Å; R323-N327 PolarHBondContact O-N 2.6Å; R323-N327 PolarHBondContact O-ND2 3Å
324	V	86.4	Confident	90.2	Very high	25 Å²	25	48.6 Å²	48.6	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-71.8	-41.6	175.1	174.3	0	0	0	0	110.5	Y274 L306 A320 V321 P322 N327 I328	Y274-V324 HydrophobicContact CE2-CG2 4.33Å; L306-V324 HydrophobicContact CD2-CG1 4.07Å; A320-V324 HydrophobicContact CB-CB 4.41Å; A320-V324 HydrophobicContact CB-CG1 4.46Å; V321-V324 HydrophobicContact CG2-CB 4.5Å; V321-V324 HydrophobicContact CG2-CG2 3.88Å; V321-V324 WeakPolarHBondContact O-CB 3.37Å; V321-V324 PolarHBondContact O-N 3.37Å; P322-V324 PolarHBondContact O-N 3.21Å; P322-V324 VanDerWaalsContact O-N 3.17Å; V324-N327 PolarHBondContact O-N 3.13Å; V324-I328 HydrophobicContact CG1-CD1 3.96Å; V324-I328 WeakPolarHBondContact O-CD1 3.4Å; V324-I328 VanDerWaalsContact O-CG1 3.26Å; V324-I328 WeakPolarHBondContact O-CG1 3.27Å; V324-I328 PolarHBondContact O-N 2.92Å
325	L	90.1	Very high	90	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-42.2	178.2	-60	177.6	0	0	0	111.9	A320 P322 I328 Y329 V387 L394 I398 V402	A320-L325 HydrophobicContact CB-CD1 4.22Å; A320-L325 HydrophobicContact CB-CD2 3.74Å; A320-L325 HydrophobicContact CB-CG 3.78Å; P322-L325 CarbonylContact O-C 3.58Å; P322-L325 WeakPolarHBondContact O-CA 3.21Å; P322-L325 PolarHBondContact O-N 3.29Å; L325-I328 PolarHBondContact O-N 3.34Å; L325-Y329 WeakPolarHBondContact O-CB 3.35Å; L325-Y329 PolarHBondContact O-N 3.21Å; L325-V387 HydrophobicContact CD1-CG1 4.16Å; L325-V387 HydrophobicContact CD2-CG1 3.93Å; L325-L394 HydrophobicContact CB-CD1 4.23Å; L325-L394 HydrophobicContact CD1-CD1 3.84Å; L325-L394 HydrophobicContact CD1-CD2 4.08Å; L325-I398 HydrophobicContact CB-CG2 3.7Å; L325-V402 HydrophobicContact CD1-CG2 4.4Å; L325-V402 HydrophobicContact CD2-CG2 4.24Å
326	S	84.5	Confident	89.8	Confident	31 Å²	31	47 Å²	47	22%	0.217	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-42.8	172.9	-57.4	0	0	0	0	111.8	P322 I328 Y329 T330	P322-S326 PolarHBondContact O-N 3.2Å; P322-S326 PolarHBondContact O-OG 2.87Å; S326-I328 VanDerWaalsContact C-N 3.32Å; S326-I328 PolarHBondContact O-N 3.18Å; S326-Y329 WeakPolarHBondContact O-CB 3.39Å; S326-Y329 PolarHBondContact O-N 3.04Å; S326-T330 PolarHBondContact O-N 2.86Å; S326-T330 PolarHBondContact O-OG1 3.43Å; S326-T330 VanDerWaalsContact O-OG1 3.1Å
327	N	83.3	Confident	89.5	Confident	88 Å²	88	51.4 Å²	51.4	47%	0.471	25%	0.253	S	S	.	.	H	α-helix	trans	-61.7	-38	174.5	-79.4	-18.6	0	0	0	112.9	R323 V324 K331	R323-N327 VanDerWaalsContact O-CB 3.31Å; R323-N327 WeakPolarHBondContact O-CB 3.4Å; R323-N327 PolarHBondContact O-N 2.6Å; R323-N327 PolarHBondContact O-ND2 3Å; V324-N327 PolarHBondContact O-N 3.13Å; N327-K331 WeakPolarHBondContact O-CB 3.47Å; N327-K331 VanDerWaalsContact O-CG 3.3Å; N327-K331 WeakPolarHBondContact O-CG 3.4Å; N327-K331 PolarHBondContact O-N 2.87Å
328	I	90.7	Very high	89	Confident	23 Å²	23	57.1 Å²	57.1	12%	0.118	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-44.8	174.7	-69	164.5	0	0	0	110.4	M307 V324 L325 S326 Y332 L376 F401	M307-I328 HydrophobicContact CE-CD1 3.97Å; M307-I328 HydrophobicContact CE-CG1 3.99Å; V324-I328 HydrophobicContact CG1-CD1 3.96Å; V324-I328 WeakPolarHBondContact O-CD1 3.4Å; V324-I328 VanDerWaalsContact O-CG1 3.26Å; V324-I328 WeakPolarHBondContact O-CG1 3.27Å; V324-I328 PolarHBondContact O-N 2.92Å; L325-I328 PolarHBondContact O-N 3.34Å; S326-I328 VanDerWaalsContact C-N 3.32Å; S326-I328 PolarHBondContact O-N 3.18Å; I328-Y332 WeakPolarHBondContact O-CB 3.24Å; I328-Y332 PolarHBondContact O-N 3.02Å; I328-L376 HydrophobicContact CG2-CD1 3.53Å; I328-F401 HydrophobicContact CG2-CE1 4.22Å; I328-F401 HydrophobicContact CG2-CZ 4.46Å
329	Y	91.4	Very high	88.7	Confident	44 Å²	44	58.4 Å²	58.4	17%	0.173	29%	0.294	C	S	.	.	H	α-helix	trans	-57.3	-56.4	176.3	174.4	-87.7	0	0	0	111.1	L325 S326 K331 Y332 Q333 I398 F401	L325-Y329 WeakPolarHBondContact O-CB 3.35Å; L325-Y329 PolarHBondContact O-N 3.21Å; S326-Y329 WeakPolarHBondContact O-CB 3.39Å; S326-Y329 PolarHBondContact O-N 3.04Å; Y329-K331 VanDerWaalsContact C-N 3.35Å; Y329-K331 PolarHBondContact O-N 3.33Å; Y329-Y332 CarbonylContact O-C 3.51Å; Y329-Y332 WeakPolarHBondContact O-CA 3.24Å; Y329-Y332 WeakPolarHBondContact O-CB 3.13Å; Y329-Y332 PolarHBondContact O-N 2.91Å; Y329-Q333 HydrophobicContact CD1-CG 3.76Å; Y329-Q333 HydrophobicContact CD2-CG 4.35Å; Y329-Q333 HydrophobicContact CE1-CG 3.46Å; Y329-Q333 VanDerWaalsContact CE1-CG 3.46Å; Y329-Q333 HydrophobicContact CE2-CG 4.13Å; Y329-Q333 HydrophobicContact CG-CG 4.18Å; Y329-Q333 WeakPolarHBondContact O-CG 3.4Å; Y329-Q333 PolarHBondContact O-N 2.68Å; Y329-I398 HydrophobicContact CD1-CD1 3.57Å; Y329-I398 HydrophobicContact CD2-CD1 3.64Å; Y329-I398 HydrophobicContact CE1-CD1 4.04Å; Y329-I398 HydrophobicContact CE2-CD1 4.07Å; Y329-I398 HydrophobicContact CG-CD1 3.36Å; Y329-F401 HydrophobicContact CD2-CB 3.64Å; Y329-F401 AromaticContact CD2-CD1 3.7Å; Y329-F401 HydrophobicContact CD2-CD1 3.7Å; Y329-F401 HydrophobicContact CD2-CD2 4.21Å; Y329-F401 HydrophobicContact CD2-CE1 4.36Å; Y329-F401 AromaticContact CD2-CG 3.6Å; Y329-F401 HydrophobicContact CD2-CG 3.6Å; Y329-F401 HydrophobicContact CE2-CB 3.91Å; Y329-F401 HydrophobicContact CE2-CG 4.26Å; Y329-F401 HydrophobicContact CG-CD1 4.38Å
330	T	86.1	Confident	88.6	Confident	85 Å²	85	67 Å²	67	52%	0.521	33%	0.331	S	S	.	.	H	α-helix	trans	-60.9	-42.3	-175.7	-57.6	0	0	0	0	111.8	S326 Y332 Q333 K334	S326-T330 PolarHBondContact O-N 2.86Å; S326-T330 PolarHBondContact O-OG1 3.43Å; S326-T330 VanDerWaalsContact O-OG1 3.1Å; T330-Y332 VanDerWaalsContact C-N 3.33Å; T330-Y332 PolarHBondContact O-N 2.92Å; T330-Q333 PolarHBondContact O-N 3.27Å; T330-K334 WeakPolarHBondContact O-CB 3.37Å; T330-K334 PolarHBondContact O-N 3.25Å
331	K	89.3	Confident	88.6	Confident	164 Å²	164	73 Å²	73	71%	0.713	36%	0.362	S	S	*	.	H	α-helix	trans	-63.5	-37	173.5	-71.3	179.5	-178.5	-175.8	0	112.2	N327 Y329 S335	N327-K331 WeakPolarHBondContact O-CB 3.47Å; N327-K331 VanDerWaalsContact O-CG 3.3Å; N327-K331 WeakPolarHBondContact O-CG 3.4Å; N327-K331 PolarHBondContact O-N 2.87Å; Y329-K331 VanDerWaalsContact C-N 3.35Å; Y329-K331 PolarHBondContact O-N 3.33Å; K331-S335 PolarHBondContact O-N 3.14Å
332	Y	93.1	Very high	88.7	Confident	23 Å²	23	74.4 Å²	74.4	9%	0.09	36%	0.364	C	S	.	.	H	α-helix	trans	-69.6	-45.9	175.1	-169.7	-95.9	0	0	0	112.1	I328 Y329 T330 K334 S335 L336 Y346 C372 F373 L376 F401	I328-Y332 WeakPolarHBondContact O-CB 3.24Å; I328-Y332 PolarHBondContact O-N 3.02Å; Y329-Y332 CarbonylContact O-C 3.51Å; Y329-Y332 WeakPolarHBondContact O-CA 3.24Å; Y329-Y332 WeakPolarHBondContact O-CB 3.13Å; Y329-Y332 PolarHBondContact O-N 2.91Å; T330-Y332 VanDerWaalsContact C-N 3.33Å; T330-Y332 PolarHBondContact O-N 2.92Å; Y332-K334 VanDerWaalsContact C-N 3.34Å; Y332-K334 PolarHBondContact O-N 2.71Å; Y332-S335 WeakPolarHBondContact O-CB 3.22Å; Y332-S335 PolarHBondContact O-N 2.72Å; Y332-S335 VanDerWaalsContact O-N 3.09Å; Y332-S335 PolarHBondContact O-OG 3.32Å; Y332-L336 HydrophobicContact CD1-CD1 4.13Å; Y332-L336 HydrophobicContact CD1-CG 4.5Å; Y332-L336 HydrophobicContact CE1-CD1 3.89Å; Y332-L336 HydrophobicContact CE1-CD2 4.28Å; Y332-L336 HydrophobicContact CE1-CG 4.28Å; Y332-L336 PolarHBondContact O-N 2.92Å; Y332-Y346 HydrophobicContact CD1-CE2 4.46Å; Y332-Y346 AromaticContact CE1-CD2 3.82Å; Y332-Y346 HydrophobicContact CE1-CD2 3.82Å; Y332-Y346 AromaticContact CE1-CE2 3.91Å; Y332-Y346 HydrophobicContact CE1-CE2 3.91Å; Y332-C372 PolarHBondContact OH-O 2.76Å; Y332-C372 PolarHBondContact OH-SG 3.26Å; Y332-F373 HydrophobicContact CE1-CD1 4.38Å; Y332-F373 HydrophobicContact CE1-CE1 4.06Å; Y332-F373 HydrophobicContact CE2-CD1 4.43Å; Y332-F373 AromaticContact CZ-CD1 3.85Å; Y332-F373 AromaticContact CZ-CE1 3.98Å; Y332-F373 WeakPolarHBondContact OH-CD1 3.36Å; Y332-L376 HydrophobicContact CD2-CB 4.05Å; Y332-L376 HydrophobicContact CD2-CD2 4.04Å; Y332-L376 HydrophobicContact CD2-CG 4.44Å; Y332-L376 HydrophobicContact CE2-CB 3.92Å; Y332-L376 HydrophobicContact CE2-CD2 4.14Å; Y332-L376 HydrophobicContact CG-CD2 4.49Å; Y332-F401 HydrophobicContact CD1-CD2 4.45Å; Y332-F401 AromaticContact CD1-CE2 3.48Å; Y332-F401 HydrophobicContact CD1-CE2 3.48Å; Y332-F401 VanDerWaalsContact CD1-CE2 3.48Å; Y332-F401 HydrophobicContact CD1-CZ 4.07Å; Y332-F401 AromaticContact CE1-CE2 3.96Å; Y332-F401 HydrophobicContact CE1-CE2 3.96Å; Y332-F401 AromaticContact CG-CE2 3.89Å; Y332-F401 HydrophobicContact CG-CE2 3.89Å; Y332-F401 AromaticContact CG-CZ 3.99Å; Y332-F401 HydrophobicContact CG-CZ 3.99Å
333	Q	91.7	Very high	89.1	Confident	21 Å²	21	76.8 Å²	76.8	10%	0.098	37%	0.372	C	S	.	.	H	α-helix	trans	-58.4	-45.3	177.8	-63.5	-47.5	-28.7	0	0	111.4	Y329 T330 S335 L336 R343 Y346	Y329-Q333 HydrophobicContact CD1-CG 3.76Å; Y329-Q333 HydrophobicContact CD2-CG 4.35Å; Y329-Q333 HydrophobicContact CE1-CG 3.46Å; Y329-Q333 VanDerWaalsContact CE1-CG 3.46Å; Y329-Q333 HydrophobicContact CE2-CG 4.13Å; Y329-Q333 HydrophobicContact CG-CG 4.18Å; Y329-Q333 WeakPolarHBondContact O-CG 3.4Å; Y329-Q333 PolarHBondContact O-N 2.68Å; T330-Q333 PolarHBondContact O-N 3.27Å; Q333-S335 VanDerWaalsContact C-N 3.26Å; Q333-S335 PolarHBondContact O-N 3.32Å; Q333-L336 WeakPolarHBondContact O-CB 3.3Å; Q333-L336 PolarHBondContact O-N 3.48Å; Q333-R343 PolarHBondContact O-NH2 3.47Å; Q333-Y346 PolarHBondContact NE2-OH 3.43Å; Q333-Y346 VanDerWaalsContact NE2-OH 3.1Å
334	K	90	Very high	89.7	Confident	120 Å²	120	73.8 Å²	73.8	52%	0.522	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-34.6	176.9	-164.4	154.1	-175.3	158.4	0	112.1	T330 Y332 L336 D337 E563	T330-K334 WeakPolarHBondContact O-CB 3.37Å; T330-K334 PolarHBondContact O-N 3.25Å; Y332-K334 VanDerWaalsContact C-N 3.34Å; Y332-K334 PolarHBondContact O-N 2.71Å; K334-L336 PolarHBondContact O-N 2.66Å; K334-D337 WeakPolarHBondContact CA-OD2 3.37Å; K334-D337 PolarHBondContact O-N 2.79Å; K334-E563 IonicContact NZ-OE2 2.7Å; K334-E563 PolarHBondContact NZ-OE2 2.94Å
335	S	90.7	Very high	89.9	Confident	53 Å²	53	75.3 Å²	75.3	37%	0.371	37%	0.373	S	S	.	.	H	α-helix	trans	-72	-6.3	175.8	82.1	0	0	0	0	115.5	K331 Y332 Q333 K342	K331-S335 PolarHBondContact O-N 3.14Å; Y332-S335 WeakPolarHBondContact O-CB 3.22Å; Y332-S335 PolarHBondContact O-N 2.72Å; Y332-S335 VanDerWaalsContact O-N 3.09Å; Y332-S335 PolarHBondContact O-OG 3.32Å; Q333-S335 VanDerWaalsContact C-N 3.26Å; Q333-S335 PolarHBondContact O-N 3.32Å; S335-K342 PolarHBondContact O-NZ 2.83Å
336	L	91.8	Very high	90.2	Very high	10 Å²	10	75.7 Å²	75.7	5%	0.052	37%	0.374	C	S	.	.	H	α-helix	trans	-95.2	-20	173.5	-59.9	172.9	0	0	0	112.4	Y332 Q333 K334 D338 S339 K342 Y346	Y332-L336 HydrophobicContact CD1-CD1 4.13Å; Y332-L336 HydrophobicContact CD1-CG 4.5Å; Y332-L336 HydrophobicContact CE1-CD1 3.89Å; Y332-L336 HydrophobicContact CE1-CD2 4.28Å; Y332-L336 HydrophobicContact CE1-CG 4.28Å; Y332-L336 PolarHBondContact O-N 2.92Å; Q333-L336 WeakPolarHBondContact O-CB 3.3Å; Q333-L336 PolarHBondContact O-N 3.48Å; K334-L336 PolarHBondContact O-N 2.66Å; L336-D338 VanDerWaalsContact C-N 3.3Å; L336-D338 PolarHBondContact O-N 3.16Å; L336-S339 PolarHBondContact O-N 3.24Å; L336-S339 VanDerWaalsContact O-N 3.17Å; L336-S339 VanDerWaalsContact O-O 3.08Å; L336-K342 HydrophobicContact CB-CB 4.47Å; L336-K342 HydrophobicContact CD2-CB 3.89Å; L336-K342 HydrophobicContact CD2-CD 4.48Å; L336-Y346 HydrophobicContact CD1-CD1 3.66Å; L336-Y346 HydrophobicContact CD1-CD2 4.04Å; L336-Y346 HydrophobicContact CD1-CE1 4.27Å; L336-Y346 HydrophobicContact CD1-CG 3.53Å
337	D	87.4	Confident	90.6	Very high	106 Å²	106	78.6 Å²	78.6	57%	0.567	39%	0.387	S	S	*	.	H	α-helix	trans	-68	-26.4	-174.1	-68.8	-43.8	0	0	0	113.5	K334 S339 R343	K334-D337 WeakPolarHBondContact CA-OD2 3.37Å; K334-D337 PolarHBondContact O-N 2.79Å; D337-S339 PolarHBondContact O-N 2.79Å; D337-R343 VanDerWaalsContact CG-NH2 3.33Å; D337-R343 IonicContact OD1-CZ 3.86Å; D337-R343 IonicContact OD1-NE 3.21Å; D337-R343 IonicContact OD1-NH2 2.75Å; D337-R343 PolarHBondContact OD1-NH2 3.12Å; D337-R343 IonicContact OD2-NH2 2.67Å
338	D	85.2	Confident	91.1	Very high	124 Å²	124	79.3 Å²	79.3	66%	0.663	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-10.2	172.3	-23	-44.6	0	0	0	113.9	L336 K342	L336-D338 VanDerWaalsContact C-N 3.3Å; L336-D338 PolarHBondContact O-N 3.16Å; D338-K342 IonicContact OD2-NZ 3.63Å; D338-K342 PolarHBondContact OD2-NZ 3.16Å
339	S	90.4	Very high	91.2	Very high	37 Å²	37	78.3 Å²	78.3	26%	0.259	38%	0.383	S	S	.	.			trans	-157.8	120.6	-179.7	-178.4	0	0	0	0	114.3	L336 D337 I341 K342 R343	L336-S339 PolarHBondContact O-N 3.24Å; L336-S339 VanDerWaalsContact O-N 3.17Å; L336-S339 VanDerWaalsContact O-O 3.08Å; D337-S339 PolarHBondContact O-N 2.79Å; S339-I341 PolarHBondContact O-N 3.27Å; S339-I341 VanDerWaalsContact O-N 3.11Å; S339-I341 PolarHBondContact OG-N 2.89Å; S339-K342 WeakPolarHBondContact O-CB 3.44Å; S339-K342 PolarHBondContact O-N 2.77Å; S339-K342 PolarHBondContact OG-N 3.23Å; S339-R343 PolarHBondContact O-N 2.97Å
340	K	92.1	Very high	91.4	Very high	183 Å²	183	76.8 Å²	76.8	80%	0.796	38%	0.378	S	S	*	.	H	α-helix	trans	-53.4	-31.3	168.8	-64.5	-178.2	179.2	179.5	0	112.7	R343 Q344	K340-R343 PolarHBondContact O-N 3.11Å; K340-Q344 WeakPolarHBondContact O-CB 3.46Å; K340-Q344 WeakPolarHBondContact O-CG 3.24Å; K340-Q344 PolarHBondContact O-N 3.12Å
341	I	92	Very high	91.7	Very high	128 Å²	128	80.6 Å²	80.6	66%	0.656	39%	0.387	S	S	*	.	H	α-helix	trans	-71.5	-43.2	177.6	-55.5	176.8	0	0	0	110.9	S339 R343 Q344 L345	S339-I341 PolarHBondContact O-N 3.27Å; S339-I341 VanDerWaalsContact O-N 3.11Å; S339-I341 PolarHBondContact OG-N 2.89Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 2.54Å; I341-Q344 PolarHBondContact O-N 2.88Å; I341-L345 WeakPolarHBondContact O-CB 3.49Å; I341-L345 PolarHBondContact O-N 2.77Å
342	K	91.1	Very high	91.9	Very high	78 Å²	78	75.8 Å²	75.8	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-57.4	-47.3	171.7	-69.5	174.5	-172.8	179.5	0	110.8	S335 L336 D338 S339 L345 Y346	S335-K342 PolarHBondContact O-NZ 2.83Å; L336-K342 HydrophobicContact CB-CB 4.47Å; L336-K342 HydrophobicContact CD2-CB 3.89Å; L336-K342 HydrophobicContact CD2-CD 4.48Å; D338-K342 IonicContact OD2-NZ 3.63Å; D338-K342 PolarHBondContact OD2-NZ 3.16Å; S339-K342 WeakPolarHBondContact O-CB 3.44Å; S339-K342 PolarHBondContact O-N 2.77Å; S339-K342 PolarHBondContact OG-N 3.23Å; K342-L345 PolarHBondContact O-N 2.8Å; K342-Y346 WeakPolarHBondContact O-CB 3.4Å; K342-Y346 PolarHBondContact O-N 2.91Å
343	R	93.8	Very high	91.9	Very high	61 Å²	61	74.8 Å²	74.8	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-59.9	-46.8	-179.9	-179.4	64.9	67.8	-157.7	1	111.9	Q333 D337 S339 K340 I341 N347	Q333-R343 PolarHBondContact O-NH2 3.47Å; D337-R343 VanDerWaalsContact CG-NH2 3.33Å; D337-R343 IonicContact OD1-CZ 3.86Å; D337-R343 IonicContact OD1-NE 3.21Å; D337-R343 IonicContact OD1-NH2 2.75Å; D337-R343 PolarHBondContact OD1-NH2 3.12Å; D337-R343 IonicContact OD2-NH2 2.67Å; S339-R343 PolarHBondContact O-N 2.97Å; K340-R343 PolarHBondContact O-N 3.11Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 2.54Å; R343-N347 PolarHBondContact O-N 3.12Å; R343-N347 VanDerWaalsContact O-N 3.07Å; R343-N347 PolarHBondContact O-OD1 2.85Å
344	Q	92.7	Very high	92	Very high	139 Å²	139	75.6 Å²	75.6	65%	0.65	37%	0.369	S	S	*	.	H	α-helix	trans	-64.2	-45.1	175.5	-75.8	177.4	-12.3	0	0	112.6	K340 I341 Y346 N347 H348	K340-Q344 WeakPolarHBondContact O-CB 3.46Å; K340-Q344 WeakPolarHBondContact O-CG 3.24Å; K340-Q344 PolarHBondContact O-N 3.12Å; I341-Q344 PolarHBondContact O-N 2.88Å; Q344-Y346 PolarHBondContact O-N 3.49Å; Q344-N347 PolarHBondContact O-N 2.85Å; Q344-H348 WeakPolarHBondContact O-CB 3.17Å; Q344-H348 PolarHBondContact O-N 3.36Å
345	L	91.5	Very high	92.1	Very high	58 Å²	58	72 Å²	72	30%	0.304	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-43.9	177.4	178	62	0	0	0	111.7	I341 K342 H348 I349 L368	I341-L345 WeakPolarHBondContact O-CB 3.49Å; I341-L345 PolarHBondContact O-N 2.77Å; K342-L345 PolarHBondContact O-N 2.8Å; L345-H348 PolarHBondContact O-N 3.48Å; L345-I349 HydrophobicContact CD1-CG1 3.95Å; L345-I349 HydrophobicContact CG-CG1 4.43Å; L345-I349 WeakPolarHBondContact O-CB 3.4Å; L345-I349 VanDerWaalsContact O-CG1 3.25Å; L345-I349 WeakPolarHBondContact O-CG1 3.48Å; L345-I349 PolarHBondContact O-N 2.9Å; L345-L368 HydrophobicContact CD1-CB 4.43Å; L345-L368 HydrophobicContact CD1-CD2 4.39Å
346	Y	94.5	Very high	92.2	Very high	14 Å²	14	71.3 Å²	71.3	6%	0.055	35%	0.353	C	S	.	.	H	α-helix	trans	-58.5	-53	175.1	167.4	-104.7	0	0	0	111.5	Y332 Q333 L336 K342 Q344 H348 I349 V350 F373 F401	Y332-Y346 HydrophobicContact CD1-CE2 4.46Å; Y332-Y346 AromaticContact CE1-CD2 3.82Å; Y332-Y346 HydrophobicContact CE1-CD2 3.82Å; Y332-Y346 AromaticContact CE1-CE2 3.91Å; Y332-Y346 HydrophobicContact CE1-CE2 3.91Å; Q333-Y346 PolarHBondContact NE2-OH 3.43Å; Q333-Y346 VanDerWaalsContact NE2-OH 3.1Å; L336-Y346 HydrophobicContact CD1-CD1 3.66Å; L336-Y346 HydrophobicContact CD1-CD2 4.04Å; L336-Y346 HydrophobicContact CD1-CE1 4.27Å; L336-Y346 HydrophobicContact CD1-CG 3.53Å; K342-Y346 WeakPolarHBondContact O-CB 3.4Å; K342-Y346 PolarHBondContact O-N 2.91Å; Q344-Y346 PolarHBondContact O-N 3.49Å; Y346-H348 VanDerWaalsContact C-N 3.31Å; Y346-H348 PolarHBondContact O-N 2.99Å; Y346-I349 PolarHBondContact O-N 2.99Å; Y346-I349 VanDerWaalsContact O-N 3.15Å; Y346-V350 HydrophobicContact CD2-CG2 3.94Å; Y346-V350 HydrophobicContact CE1-CG2 4.22Å; Y346-V350 HydrophobicContact CE2-CG2 3.49Å; Y346-V350 VanDerWaalsContact CE2-CG2 3.49Å; Y346-V350 HydrophobicContact CG-CG2 4.48Å; Y346-V350 WeakPolarHBondContact O-CG2 3.44Å; Y346-V350 PolarHBondContact O-N 3.41Å; Y346-F373 HydrophobicContact CD2-CE1 4.17Å; Y346-F373 HydrophobicContact CD2-CZ 4.23Å; Y346-F373 HydrophobicContact CE2-CE1 4.08Å; Y346-F373 HydrophobicContact CE2-CZ 4.19Å; Y346-F401 HydrophobicContact CE2-CD2 4.08Å; Y346-F401 HydrophobicContact CE2-CE2 4.47Å
347	N	94.1	Very high	92.2	Very high	91 Å²	91	71 Å²	71	49%	0.487	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-41.4	179.8	-71.4	4.1	0	0	0	112.1	R343 Q344 K351	R343-N347 PolarHBondContact O-N 3.12Å; R343-N347 VanDerWaalsContact O-N 3.07Å; R343-N347 PolarHBondContact O-OD1 2.85Å; Q344-N347 PolarHBondContact O-N 2.85Å; N347-K351 PolarHBondContact O-N 3.47Å; N347-K351 VanDerWaalsContact O-N 3.15Å
348	H	93.4	Very high	92.4	Very high	104 Å²	104	72.6 Å²	72.6	48%	0.481	35%	0.353	S	S	.	.	H	α-helix	trans	-63.7	-44.4	176.2	-178	82.9	0	0	0	112.1	Q344 L345 Y346 K351 I352	Q344-H348 WeakPolarHBondContact O-CB 3.17Å; Q344-H348 PolarHBondContact O-N 3.36Å; L345-H348 PolarHBondContact O-N 3.48Å; Y346-H348 VanDerWaalsContact C-N 3.31Å; Y346-H348 PolarHBondContact O-N 2.99Å; H348-K351 PolarHBondContact O-N 3.05Å; H348-I352 WeakPolarHBondContact NE2-CD1 3.42Å; H348-I352 PolarHBondContact O-N 3.18Å
349	I	93.4	Very high	92.7	Very high	2 Å²	2	75.7 Å²	75.7	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-69.4	-41.7	179.8	-69.2	-67.7	0	0	0	111.8	L345 Y346 K351 I352 K353 L368 D369 F373	L345-I349 HydrophobicContact CD1-CG1 3.95Å; L345-I349 HydrophobicContact CG-CG1 4.43Å; L345-I349 WeakPolarHBondContact O-CB 3.4Å; L345-I349 VanDerWaalsContact O-CG1 3.25Å; L345-I349 WeakPolarHBondContact O-CG1 3.48Å; L345-I349 PolarHBondContact O-N 2.9Å; Y346-I349 PolarHBondContact O-N 2.99Å; Y346-I349 VanDerWaalsContact O-N 3.15Å; I349-K351 VanDerWaalsContact C-N 3.31Å; I349-K351 PolarHBondContact O-N 2.96Å; I349-I352 PolarHBondContact O-N 2.78Å; I349-I352 VanDerWaalsContact O-N 3.14Å; I349-K353 HydrophobicContact CG2-CG 4.17Å; I349-K353 WeakPolarHBondContact O-CG 3.35Å; I349-K353 PolarHBondContact O-N 2.85Å; I349-L368 HydrophobicContact CD1-CB 3.47Å; I349-L368 VanDerWaalsContact CD1-CB 3.47Å; I349-L368 HydrophobicContact CD1-CD1 4.37Å; I349-L368 HydrophobicContact CG1-CB 4.27Å; I349-D369 HydrophobicContact CG2-CB 4.5Å; I349-F373 HydrophobicContact CG2-CE2 3.82Å
350	V	94.2	Very high	92.6	Very high	11 Å²	11	75.6 Å²	75.6	7%	0.067	36%	0.36	C	S	.	.	H	α-helix	trans	-56.2	-46.5	173	172.6	0	0	0	0	110.6	Y346 I352 K353 M354 K400 A404	Y346-V350 HydrophobicContact CD2-CG2 3.94Å; Y346-V350 HydrophobicContact CE1-CG2 4.22Å; Y346-V350 HydrophobicContact CE2-CG2 3.49Å; Y346-V350 VanDerWaalsContact CE2-CG2 3.49Å; Y346-V350 HydrophobicContact CG-CG2 4.48Å; Y346-V350 WeakPolarHBondContact O-CG2 3.44Å; Y346-V350 PolarHBondContact O-N 3.41Å; V350-I352 VanDerWaalsContact C-N 3.33Å; V350-I352 PolarHBondContact O-N 2.87Å; V350-K353 PolarHBondContact O-N 3.27Å; V350-M354 WeakPolarHBondContact O-CG 3.49Å; V350-M354 PolarHBondContact O-N 3.44Å; V350-K400 HydrophobicContact CG1-CG 4.1Å; V350-A404 HydrophobicContact CB-CB 4.3Å; V350-A404 HydrophobicContact CG1-CB 4.3Å; V350-A404 HydrophobicContact CG2-CB 3.84Å
351	K	93.8	Very high	92.4	Very high	166 Å²	166	71.2 Å²	71.2	72%	0.722	34%	0.341	S	S	*	.	H	α-helix	trans	-60.2	-39.5	177.1	-172.6	172.6	-178.2	174	0	112.6	N347 H348 I349 A355	N347-K351 PolarHBondContact O-N 3.47Å; N347-K351 VanDerWaalsContact O-N 3.15Å; H348-K351 PolarHBondContact O-N 3.05Å; I349-K351 VanDerWaalsContact C-N 3.31Å; I349-K351 PolarHBondContact O-N 2.96Å; K351-A355 WeakPolarHBondContact O-CB 3.29Å; K351-A355 PolarHBondContact O-N 3.5Å
352	I	93	Very high	92.3	Very high	63 Å²	63	65.6 Å²	65.6	32%	0.323	31%	0.312	S	S	.	.	H	α-helix	trans	-65.8	-48.7	173.6	-72.1	172.6	0	0	0	111	H348 I349 V350 M354 A355 E356	H348-I352 WeakPolarHBondContact NE2-CD1 3.42Å; H348-I352 PolarHBondContact O-N 3.18Å; I349-I352 PolarHBondContact O-N 2.78Å; I349-I352 VanDerWaalsContact O-N 3.14Å; V350-I352 VanDerWaalsContact C-N 3.33Å; V350-I352 PolarHBondContact O-N 2.87Å; I352-M354 PolarHBondContact O-N 3.23Å; I352-A355 CarbonylContact O-C 3.58Å; I352-A355 PolarHBondContact O-N 2.88Å; I352-A355 VanDerWaalsContact O-N 3.09Å; I352-E356 HydrophobicContact CG2-CG 4.21Å; I352-E356 WeakPolarHBondContact O-CG 3.32Å; I352-E356 PolarHBondContact O-N 2.79Å
353	K	93.2	Very high	91.8	Very high	2 Å²	2	67 Å²	67	1%	0.009	32%	0.316	C	S	.	.	H	α-helix	trans	-58.9	-44.3	-177.3	-70.1	-53.1	-54.6	164.6	0	112.3	I349 V350 A355 E356 Q357 Y363 A404	I349-K353 HydrophobicContact CG2-CG 4.17Å; I349-K353 WeakPolarHBondContact O-CG 3.35Å; I349-K353 PolarHBondContact O-N 2.85Å; V350-K353 PolarHBondContact O-N 3.27Å; K353-A355 VanDerWaalsContact C-N 3.33Å; K353-A355 PolarHBondContact O-N 3.33Å; K353-E356 WeakPolarHBondContact CD-OE2 3.39Å; K353-E356 IonicContact NZ-OE2 3.59Å; K353-E356 PolarHBondContact NZ-OE2 3Å; K353-E356 WeakPolarHBondContact O-CB 3.46Å; K353-E356 PolarHBondContact O-N 3.26Å; K353-Q357 WeakPolarHBondContact O-CG 3.28Å; K353-Q357 PolarHBondContact O-N 2.96Å; K353-Y363 PolarHBondContact NZ-O 2.9Å; K353-A404 HydrophobicContact CB-CB 3.99Å; K353-A404 HydrophobicContact CG-CB 4.2Å
354	M	93.7	Very high	90.9	Very high	37 Å²	37	66.1 Å²	66.1	18%	0.182	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-37.9	176.2	-59.2	-48	-63.6	0	0	112.2	V350 I352 E356 Q357 K358 K400 H403 L432	V350-M354 WeakPolarHBondContact O-CG 3.49Å; V350-M354 PolarHBondContact O-N 3.44Å; I352-M354 PolarHBondContact O-N 3.23Å; M354-E356 VanDerWaalsContact C-N 3.35Å; M354-Q357 PolarHBondContact O-N 3.42Å; M354-K358 PolarHBondContact O-N 3.16Å; M354-K400 HydrophobicContact SD-CG 4.46Å; M354-H403 HydrophobicContact CE-CB 4.36Å; M354-H403 HydrophobicContact SD-CB 3.94Å; M354-L432 HydrophobicContact CE-CD1 4.3Å; M354-L432 HydrophobicContact CE-CD2 4.13Å; M354-L432 HydrophobicContact CE-CG 4.38Å
355	A	93.1	Very high	89.6	Confident	45 Å²	45	65.4 Å²	65.4	37%	0.372	31%	0.306	S	S	.	.	H	α-helix	trans	-73.5	-21.8	176.4	0	0	0	0	0	114	K351 I352 K353 R359	K351-A355 WeakPolarHBondContact O-CB 3.29Å; K351-A355 PolarHBondContact O-N 3.5Å; I352-A355 CarbonylContact O-C 3.58Å; I352-A355 PolarHBondContact O-N 2.88Å; I352-A355 VanDerWaalsContact O-N 3.09Å; K353-A355 VanDerWaalsContact C-N 3.33Å; K353-A355 PolarHBondContact O-N 3.33Å; A355-R359 WeakPolarHBondContact O-CD 3.33Å; A355-R359 WeakPolarHBondContact O-CG 3.19Å
356	E	92	Very high	89	Confident	39 Å²	39	65 Å²	65	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-73.9	-45.3	167.7	-75.1	-172.4	141.2	0	0	111.2	I352 K353 M354 R359 G360 K361	I352-E356 HydrophobicContact CG2-CG 4.21Å; I352-E356 WeakPolarHBondContact O-CG 3.32Å; I352-E356 PolarHBondContact O-N 2.79Å; K353-E356 WeakPolarHBondContact CD-OE2 3.39Å; K353-E356 IonicContact NZ-OE2 3.59Å; K353-E356 PolarHBondContact NZ-OE2 3Å; K353-E356 WeakPolarHBondContact O-CB 3.46Å; K353-E356 PolarHBondContact O-N 3.26Å; M354-E356 VanDerWaalsContact C-N 3.35Å; E356-R359 CarbonylContact O-C 3.33Å; E356-R359 WeakPolarHBondContact O-CA 3.35Å; E356-R359 WeakPolarHBondContact O-CB 3.5Å; E356-R359 PolarHBondContact O-N 3.12Å; E356-G360 PolarHBondContact O-N 3.42Å; E356-K361 CarbonylContact C-O 3.58Å; E356-K361 HydrophobicContact CB-CB 3.97Å; E356-K361 WeakPolarHBondContact O-CB 3.37Å; E356-K361 PolarHBondContact O-N 2.72Å
357	Q	92.3	Very high	88.4	Confident	2 Å²	2	70.7 Å²	70.7	1%	0.009	34%	0.338	C	S	.	.	H	α-helix	trans	-68.7	-38.2	-176.4	-69.8	177.8	9.4	0	0	112.9	K353 M354 R359 G360 F362 H403 G407	K353-Q357 WeakPolarHBondContact O-CG 3.28Å; K353-Q357 PolarHBondContact O-N 2.96Å; M354-Q357 PolarHBondContact O-N 3.42Å; Q357-R359 PolarHBondContact O-N 3.1Å; Q357-G360 PolarHBondContact O-N 2.8Å; Q357-F362 HydrophobicContact CB-CD1 4.21Å; Q357-F362 HydrophobicContact CB-CE1 3.64Å; Q357-F362 HydrophobicContact CB-CZ 3.82Å; Q357-F362 HydrophobicContact CG-CD1 3.56Å; Q357-F362 HydrophobicContact CG-CE1 3.49Å; Q357-F362 VanDerWaalsContact CG-CE1 3.49Å; Q357-F362 HydrophobicContact CG-CG 4.23Å; Q357-F362 HydrophobicContact CG-CZ 4.1Å; Q357-H403 PolarHBondContact NE2-O 3.49Å; Q357-H403 PolarHBondContact OE1-ND1 2.95Å; Q357-G407 PolarHBondContact NE2-O 3.05Å; Q357-G407 VanDerWaalsContact NE2-O 3.14Å
358	K	91.4	Very high	87.9	Confident	141 Å²	141	70.1 Å²	70.1	61%	0.613	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-13.8	167.8	-174.8	160.7	-170	168.5	0	113.8	M354 Y430	M354-K358 PolarHBondContact O-N 3.16Å; K358-Y430 HydrophobicContact CB-CD2 3.76Å; K358-Y430 HydrophobicContact CB-CE2 3.68Å; K358-Y430 HydrophobicContact CB-CG 4.35Å; K358-Y430 HydrophobicContact CD-CE2 3.65Å; K358-Y430 WeakPolarHBondContact CE-OH 3.48Å; K358-Y430 HydrophobicContact CG-CD2 4.17Å; K358-Y430 HydrophobicContact CG-CE1 4.49Å; K358-Y430 HydrophobicContact CG-CE2 3.55Å
359	R	90.2	Very high	87.7	Confident	188 Å²	188	65.2 Å²	65.2	71%	0.709	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	20.1	174.4	-59.6	170.7	174.9	149	-9.1	112.6	A355 E356 Q357 K361	A355-R359 WeakPolarHBondContact O-CD 3.33Å; A355-R359 WeakPolarHBondContact O-CG 3.19Å; E356-R359 CarbonylContact O-C 3.33Å; E356-R359 WeakPolarHBondContact O-CA 3.35Å; E356-R359 WeakPolarHBondContact O-CB 3.5Å; E356-R359 PolarHBondContact O-N 3.12Å; Q357-R359 PolarHBondContact O-N 3.1Å; R359-K361 VanDerWaalsContact C-N 3.34Å; R359-K361 PolarHBondContact O-N 3.3Å
360	G	89.2	Confident	87.3	Confident	36 Å²	36	67.7 Å²	67.7	37%	0.371	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	11.3	179.2	0	0	0	0	0	115.8	E356 Q357 F362	E356-G360 PolarHBondContact O-N 3.42Å; Q357-G360 PolarHBondContact O-N 2.8Å; G360-F362 WeakPolarHBondContact O-CD2 3.17Å
361	K	88.7	Confident	87	Confident	90 Å²	90	72.5 Å²	72.5	39%	0.391	35%	0.351	S	S	.	.			trans	-103.6	94.2	-172.4	-65	174.7	174.2	-174	0	112.3	E356 R359 Y363	E356-K361 CarbonylContact C-O 3.58Å; E356-K361 HydrophobicContact CB-CB 3.97Å; E356-K361 WeakPolarHBondContact O-CB 3.37Å; E356-K361 PolarHBondContact O-N 2.72Å; R359-K361 VanDerWaalsContact C-N 3.34Å; R359-K361 PolarHBondContact O-N 3.3Å; K361-Y363 HydrophobicContact CB-CD1 4.48Å; K361-Y363 HydrophobicContact CB-CE1 3.94Å; K361-Y363 HydrophobicContact CD-CE1 4.39Å; K361-Y363 HydrophobicContact CG-CE1 3.93Å
362	F	89.2	Confident	86.9	Confident	11 Å²	11	65.4 Å²	65.4	5%	0.048	32%	0.323	C	S	.	.			trans	-95.2	1.4	-177.6	-66.2	-88.1	0	0	0	114.8	L24 V25 Q357 G360 L408 G428 E429	L24-F362 HydrophobicContact CD2-CB 4.4Å; V25-F362 HydrophobicContact CG2-CE2 4.13Å; Q357-F362 HydrophobicContact CB-CD1 4.21Å; Q357-F362 HydrophobicContact CB-CE1 3.64Å; Q357-F362 HydrophobicContact CB-CZ 3.82Å; Q357-F362 HydrophobicContact CG-CD1 3.56Å; Q357-F362 HydrophobicContact CG-CE1 3.49Å; Q357-F362 VanDerWaalsContact CG-CE1 3.49Å; Q357-F362 HydrophobicContact CG-CG 4.23Å; Q357-F362 HydrophobicContact CG-CZ 4.1Å; G360-F362 WeakPolarHBondContact O-CD2 3.17Å; F362-L408 HydrophobicContact CB-CD2 4.27Å; F362-L408 HydrophobicContact CB-CG 4.31Å; F362-L408 HydrophobicContact CD1-CD2 3.65Å; F362-L408 HydrophobicContact CD1-CG 4.24Å; F362-L408 HydrophobicContact CD2-CD2 4.3Å; F362-L408 HydrophobicContact CE1-CD2 4.1Å; F362-L408 HydrophobicContact CG-CD2 3.79Å; F362-L408 HydrophobicContact CG-CG 4.33Å; F362-G428 WeakPolarHBondContact CZ-O 3.49Å; F362-E429 WeakPolarHBondContact CE1-O 3.49Å
363	Y	80.4	Confident	87	Confident	107 Å²	107	62.4 Å²	62.4	42%	0.42	31%	0.307	S	S	.	.			trans	-83.2	155.5	-173.2	56.1	-106.4	0	0	0	114.9	K353 K361 R365	K353-Y363 PolarHBondContact NZ-O 2.9Å; K361-Y363 HydrophobicContact CB-CD1 4.48Å; K361-Y363 HydrophobicContact CB-CE1 3.94Å; K361-Y363 HydrophobicContact CD-CE1 4.39Å; K361-Y363 HydrophobicContact CG-CE1 3.93Å; Y363-R365 HydrophobicContact CD2-CB 4.19Å; Y363-R365 HydrophobicContact CD2-CG 4.22Å
364	H	75	Confident	86.9	Confident	43 Å²	43	69.4 Å²	69.4	20%	0.199	33%	0.334	C	S	.	.			trans	-112.9	86.5	-175.7	-58.4	-45.6	0	0	0	110.9	D369 R377 F406 G407	H364-D369 WeakPolarHBondContact CA-OD2 3.36Å; H364-D369 WeakPolarHBondContact CB-OD2 3.42Å; H364-D369 IonicContact ND1-OD1 2.94Å; H364-R377 PolarHBondContact ND1-NH2 2.9Å; H364-R377 VanDerWaalsContact ND1-NH2 3.16Å; H364-F406 VanDerWaalsContact CE1-C 3.5Å; H364-F406 PolarHBondContact NE2-O 2.92Å; H364-G407 VanDerWaalsContact CE1-CA 3.4Å; H364-G407 WeakPolarHBondContact CE1-CA 3.35Å; H364-G407 PolarHBondContact CE1-N 3.33Å; H364-G407 VanDerWaalsContact CE1-N 3.32Å; H364-G407 WeakPolarHBondContact NE2-CA 3.17Å; H364-G407 PolarHBondContact NE2-N 3.03Å
365	R	65.4	Low	86.9	Confident	124 Å²	124	76.3 Å²	76.3	47%	0.468	36%	0.363	S	S	.	.			trans	-140.4	-6.1	-172.2	-64.4	-167.6	-169.8	169.8	10.8	116.3	S7 Y363	S7-R365 PolarHBondContact O-NH1 3.18Å; Y363-R365 HydrophobicContact CD2-CB 4.19Å; Y363-R365 HydrophobicContact CD2-CG 4.22Å
366	S	78.1	Confident	86.9	Confident	49 Å²	49	74.5 Å²	74.5	34%	0.343	35%	0.347	S	S	.	.			trans	-71.9	146.6	171.4	89.8	0	0	0	0	109.2	L368 D369 T370	S366-L368 PolarHBondContact O-N 2.99Å; S366-D369 PolarHBondContact O-N 3.45Å; S366-D369 WeakPolarHBondContact OG-CB 3.33Å; S366-D369 PolarHBondContact OG-N 3.45Å; S366-T370 WeakPolarHBondContact O-CB 3.26Å; S366-T370 PolarHBondContact O-N 3.26Å; S366-T370 PolarHBondContact O-OG1 3.4Å
367	I	82.9	Confident	87.1	Confident	133 Å²	133	74 Å²	74	68%	0.682	34%	0.343	S	S	*	.	H	α-helix	trans	-61	-39.2	-179	-62.1	175.3	0	0	0	109.7	T370 L371	I367-T370 PolarHBondContact O-N 2.88Å; I367-L371 HydrophobicContact CG2-CD1 3.9Å; I367-L371 HydrophobicContact CG2-CG 4.36Å; I367-L371 WeakPolarHBondContact O-CB 3.22Å; I367-L371 VanDerWaalsContact O-CG 3.27Å; I367-L371 WeakPolarHBondContact O-CG 3.41Å; I367-L371 PolarHBondContact O-N 3.39Å
368	L	84.1	Confident	87.2	Confident	80 Å²	80	79.9 Å²	79.9	42%	0.419	37%	0.369	S	S	.	.	H	α-helix	trans	-70.7	-41.4	179.6	-59.4	178.4	0	0	0	113.1	L345 I349 S366 T370 L371 C372	L345-L368 HydrophobicContact CD1-CB 4.43Å; L345-L368 HydrophobicContact CD1-CD2 4.39Å; I349-L368 HydrophobicContact CD1-CB 3.47Å; I349-L368 VanDerWaalsContact CD1-CB 3.47Å; I349-L368 HydrophobicContact CD1-CD1 4.37Å; I349-L368 HydrophobicContact CG1-CB 4.27Å; S366-L368 PolarHBondContact O-N 2.99Å; L368-T370 VanDerWaalsContact C-N 3.3Å; L368-T370 PolarHBondContact O-N 3.33Å; L368-L371 PolarHBondContact O-N 3.43Å; L368-C372 VanDerWaalsContact O-CB 3.26Å; L368-C372 WeakPolarHBondContact O-CB 3.27Å; L368-C372 PolarHBondContact O-N 3.23Å
369	D	87.8	Confident	87.3	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-57.6	-45.9	171	162.1	79.4	0	0	0	110.9	I349 H364 S366 C372 F373 R377	I349-D369 HydrophobicContact CG2-CB 4.5Å; H364-D369 WeakPolarHBondContact CA-OD2 3.36Å; H364-D369 WeakPolarHBondContact CB-OD2 3.42Å; H364-D369 IonicContact ND1-OD1 2.94Å; S366-D369 PolarHBondContact O-N 3.45Å; S366-D369 WeakPolarHBondContact OG-CB 3.33Å; S366-D369 PolarHBondContact OG-N 3.45Å; D369-C372 PolarHBondContact O-N 3.01Å; D369-F373 PolarHBondContact O-N 3.19Å; D369-R377 IonicContact OD1-CZ 2.72Å; D369-R377 IonicContact OD1-NH1 3.28Å; D369-R377 PolarHBondContact OD1-NH1 3.06Å; D369-R377 IonicContact OD1-NH2 3.26Å; D369-R377 PolarHBondContact OD1-NH2 2.68Å; D369-R377 IonicContact OD2-CZ 2.71Å; D369-R377 IonicContact OD2-NH1 3.02Å; D369-R377 PolarHBondContact OD2-NH1 3.44Å; D369-R377 IonicContact OD2-NH2 2.63Å; D369-R377 PolarHBondContact OD2-NH2 3.01Å
370	T	86.6	Confident	87.5	Confident	53 Å²	53	68.5 Å²	68.5	33%	0.325	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-49.9	177.5	-56.3	0	0	0	0	110.4	S366 I367 L368 C372 R374	S366-T370 WeakPolarHBondContact O-CB 3.26Å; S366-T370 PolarHBondContact O-N 3.26Å; S366-T370 PolarHBondContact O-OG1 3.4Å; I367-T370 PolarHBondContact O-N 2.88Å; L368-T370 VanDerWaalsContact C-N 3.3Å; L368-T370 PolarHBondContact O-N 3.33Å; T370-C372 VanDerWaalsContact C-N 3.34Å; T370-C372 PolarHBondContact O-N 3.1Å; T370-R374 WeakPolarHBondContact O-CA 3.35Å; T370-R374 WeakPolarHBondContact O-CB 3.48Å; T370-R374 PolarHBondContact O-N 3.13Å
371	L	87.6	Confident	87.7	Confident	112 Å²	112	67.5 Å²	67.5	59%	0.586	32%	0.318	S	S	*	.	H	α-helix	trans	-62.5	-38.8	-180	-73.7	171.9	0	0	0	112.8	I367 L368	I367-L371 HydrophobicContact CG2-CD1 3.9Å; I367-L371 HydrophobicContact CG2-CG 4.36Å; I367-L371 WeakPolarHBondContact O-CB 3.22Å; I367-L371 VanDerWaalsContact O-CG 3.27Å; I367-L371 WeakPolarHBondContact O-CG 3.41Å; I367-L371 PolarHBondContact O-N 3.39Å; L368-L371 PolarHBondContact O-N 3.43Å
372	C	92	Very high	87.9	Confident	18 Å²	18	65.5 Å²	65.5	12%	0.122	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-63.4	175.9	-170.4	0	0	0	0	110.9	Y332 L368 D369 T370	Y332-C372 PolarHBondContact OH-O 2.76Å; Y332-C372 PolarHBondContact OH-SG 3.26Å; L368-C372 VanDerWaalsContact O-CB 3.26Å; L368-C372 WeakPolarHBondContact O-CB 3.27Å; L368-C372 PolarHBondContact O-N 3.23Å; D369-C372 PolarHBondContact O-N 3.01Å; T370-C372 VanDerWaalsContact C-N 3.34Å; T370-C372 PolarHBondContact O-N 3.1Å
373	F	93.8	Very high	88.1	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-94.9	-3.3	-166.6	-60.9	-63.3	0	0	0	115.1	Y332 Y346 I349 D369 K375 L376 R377 F401 A404 A405	Y332-F373 HydrophobicContact CE1-CD1 4.38Å; Y332-F373 HydrophobicContact CE1-CE1 4.06Å; Y332-F373 HydrophobicContact CE2-CD1 4.43Å; Y332-F373 AromaticContact CZ-CD1 3.85Å; Y332-F373 AromaticContact CZ-CE1 3.98Å; Y332-F373 WeakPolarHBondContact OH-CD1 3.36Å; Y346-F373 HydrophobicContact CD2-CE1 4.17Å; Y346-F373 HydrophobicContact CD2-CZ 4.23Å; Y346-F373 HydrophobicContact CE2-CE1 4.08Å; Y346-F373 HydrophobicContact CE2-CZ 4.19Å; I349-F373 HydrophobicContact CG2-CE2 3.82Å; D369-F373 PolarHBondContact O-N 3.19Å; F373-K375 VanDerWaalsContact C-N 3.28Å; F373-K375 PolarHBondContact O-N 2.8Å; F373-L376 HydrophobicContact CD1-CD2 4.02Å; F373-L376 PolarHBondContact O-N 3.04Å; F373-L376 VanDerWaalsContact O-N 3.12Å; F373-R377 HydrophobicContact CB-CG 4.24Å; F373-R377 WeakPolarHBondContact O-CB 3.4Å; F373-R377 WeakPolarHBondContact O-CG 3.28Å; F373-R377 PolarHBondContact O-N 3.35Å; F373-F401 HydrophobicContact CE1-CE2 4.33Å; F373-A404 HydrophobicContact CE2-CB 4.35Å; F373-A404 WeakPolarHBondContact CE2-O 3.35Å; F373-A404 HydrophobicContact CZ-CB 4.07Å; F373-A405 HydrophobicContact CD1-CB 3.79Å; F373-A405 HydrophobicContact CE1-CB 3.85Å; F373-A405 HydrophobicContact CG-CB 4.19Å; F373-A405 HydrophobicContact CZ-CB 4.29Å
374	R	92.4	Very high	88.8	Confident	149 Å²	149	68 Å²	68	56%	0.562	33%	0.332	S	S	*	.	H	α-helix	trans	-57.7	-31.9	-177.6	173.1	-178.6	-164.8	-153	7.1	114.5	T370 K378	T370-R374 WeakPolarHBondContact O-CA 3.35Å; T370-R374 WeakPolarHBondContact O-CB 3.48Å; T370-R374 PolarHBondContact O-N 3.13Å; R374-K378 WeakPolarHBondContact O-CB 3.43Å; R374-K378 WeakPolarHBondContact O-CG 3.49Å; R374-K378 PolarHBondContact O-N 2.94Å
375	K	92.8	Very high	89.5	Confident	181 Å²	181	69.1 Å²	69.1	79%	0.787	34%	0.335	S	S	*	.	H	α-helix	trans	-68.4	-51.8	173.6	-73.5	-170.2	178.3	-175.5	0	110.8	F373 K378 L379	F373-K375 VanDerWaalsContact C-N 3.28Å; F373-K375 PolarHBondContact O-N 2.8Å; K375-K378 WeakPolarHBondContact O-CB 3.21Å; K375-K378 PolarHBondContact O-N 2.94Å; K375-L379 PolarHBondContact O-N 2.82Å
376	L	94.3	Very high	90.9	Very high	8 Å²	8	63.3 Å²	63.3	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-57.8	-52.3	177.5	172.9	61.7	0	0	0	112.2	I328 Y332 F373 K378 L379 F401 A405 F406	I328-L376 HydrophobicContact CG2-CD1 3.53Å; Y332-L376 HydrophobicContact CD2-CB 4.05Å; Y332-L376 HydrophobicContact CD2-CD2 4.04Å; Y332-L376 HydrophobicContact CD2-CG 4.44Å; Y332-L376 HydrophobicContact CE2-CB 3.92Å; Y332-L376 HydrophobicContact CE2-CD2 4.14Å; Y332-L376 HydrophobicContact CG-CD2 4.49Å; F373-L376 HydrophobicContact CD1-CD2 4.02Å; F373-L376 PolarHBondContact O-N 3.04Å; F373-L376 VanDerWaalsContact O-N 3.12Å; L376-K378 PolarHBondContact O-N 3.02Å; L376-L379 WeakPolarHBondContact O-CB 3.39Å; L376-L379 PolarHBondContact O-N 2.93Å; L376-F401 HydrophobicContact CD2-CE1 4.45Å; L376-F401 HydrophobicContact CD2-CE2 3.94Å; L376-F401 HydrophobicContact CD2-CZ 3.52Å; L376-A405 HydrophobicContact CD2-CB 3.72Å; L376-F406 HydrophobicContact CD1-CZ 4.11Å; L376-F406 HydrophobicContact CD2-CE2 4.13Å; L376-F406 HydrophobicContact CD2-CZ 4.04Å; L376-F406 HydrophobicContact CG-CE2 4.32Å; L376-F406 HydrophobicContact CG-CZ 3.76Å
377	R	94.9	Very high	91.8	Very high	29 Å²	29	61 Å²	61	11%	0.109	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-36.3	177.7	-68.3	172.4	-177.1	151.8	5.2	112.1	H364 D369 F373 L379 L380 G382 A405 F406	H364-R377 PolarHBondContact ND1-NH2 2.9Å; H364-R377 VanDerWaalsContact ND1-NH2 3.16Å; D369-R377 IonicContact OD1-CZ 2.72Å; D369-R377 IonicContact OD1-NH1 3.28Å; D369-R377 PolarHBondContact OD1-NH1 3.06Å; D369-R377 IonicContact OD1-NH2 3.26Å; D369-R377 PolarHBondContact OD1-NH2 2.68Å; D369-R377 IonicContact OD2-CZ 2.71Å; D369-R377 IonicContact OD2-NH1 3.02Å; D369-R377 PolarHBondContact OD2-NH1 3.44Å; D369-R377 IonicContact OD2-NH2 2.63Å; D369-R377 PolarHBondContact OD2-NH2 3.01Å; F373-R377 HydrophobicContact CB-CG 4.24Å; F373-R377 WeakPolarHBondContact O-CB 3.4Å; F373-R377 WeakPolarHBondContact O-CG 3.28Å; F373-R377 PolarHBondContact O-N 3.35Å; R377-L379 VanDerWaalsContact C-N 3.32Å; R377-L379 PolarHBondContact O-N 2.78Å; R377-L380 CarbonylContact O-C 3.57Å; R377-L380 PolarHBondContact O-N 2.85Å; R377-G382 WeakPolarHBondContact O-CA 3.32Å; R377-G382 PolarHBondContact O-N 3.35Å; R377-A405 VanDerWaalsContact CZ-O 3.23Å; R377-A405 PolarHBondContact NE-O 3.42Å; R377-A405 PolarHBondContact NH2-O 2.84Å; R377-F406 HydrophobicContact CG-CD1 4.43Å; R377-F406 HydrophobicContact CG-CE1 4.13Å
378	K	94.6	Very high	92.4	Very high	125 Å²	125	56 Å²	56	54%	0.543	27%	0.273	S	S	.	.	H	α-helix	trans	-66.2	-26.4	174.6	-89.2	-174.3	167.9	-162.8	0	114	Q311 R374 K375 L376 L380 G381	Q311-K378 VanDerWaalsContact CG-O 3.23Å; Q311-K378 WeakPolarHBondContact CG-O 3.43Å; Q311-K378 PolarHBondContact NE2-O 3.24Å; R374-K378 WeakPolarHBondContact O-CB 3.43Å; R374-K378 WeakPolarHBondContact O-CG 3.49Å; R374-K378 PolarHBondContact O-N 2.94Å; K375-K378 WeakPolarHBondContact O-CB 3.21Å; K375-K378 PolarHBondContact O-N 2.94Å; L376-K378 PolarHBondContact O-N 3.02Å; K378-L380 VanDerWaalsContact C-N 3.26Å; K378-L380 PolarHBondContact O-N 2.87Å; K378-G381 PolarHBondContact O-N 3.42Å
379	L	94	Very high	92.9	Very high	82 Å²	82	52.3 Å²	52.3	43%	0.429	25%	0.254	S	S	.	.	H	α-helix	trans	-68.9	-27.5	175.5	-63.7	175.4	0	0	0	111.9	M307 K375 L376 R377	M307-L379 HydrophobicContact SD-CB 4Å; K375-L379 PolarHBondContact O-N 2.82Å; L376-L379 WeakPolarHBondContact O-CB 3.39Å; L376-L379 PolarHBondContact O-N 2.93Å; R377-L379 VanDerWaalsContact C-N 3.32Å; R377-L379 PolarHBondContact O-N 2.78Å
380	L	94.5	Very high	93	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	33.3	173.5	-53.2	-179.7	0	0	0	112.3	M307 A310 I318 R377 K378 G382 V384 F406	M307-L380 HydrophobicContact CE-CD2 4.21Å; M307-L380 HydrophobicContact SD-CD2 3.68Å; A310-L380 HydrophobicContact CB-CD2 4.39Å; I318-L380 HydrophobicContact CG1-CB 4.47Å; I318-L380 HydrophobicContact CG1-CD1 4.34Å; R377-L380 CarbonylContact O-C 3.57Å; R377-L380 PolarHBondContact O-N 2.85Å; K378-L380 VanDerWaalsContact C-N 3.26Å; K378-L380 PolarHBondContact O-N 2.87Å; L380-G382 PolarHBondContact O-N 2.8Å; L380-G382 VanDerWaalsContact O-N 3.14Å; L380-V384 HydrophobicContact CB-CG2 3.71Å; L380-V384 HydrophobicContact CD1-CG2 4.48Å; L380-V384 WeakPolarHBondContact O-CG2 3.49Å; L380-F406 HydrophobicContact CD1-CE1 3.79Å; L380-F406 HydrophobicContact CD1-CE2 4.41Å; L380-F406 HydrophobicContact CD1-CZ 3.6Å
381	G	93.6	Very high	92.8	Very high	15 Å²	15	53.4 Å²	53.4	16%	0.155	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	3.9	176.2	0	0	0	0	0	117.1	A310 K378 R383	A310-G381 WeakPolarHBondContact O-CA 3.49Å; K378-G381 PolarHBondContact O-N 3.42Å; G381-R383 VanDerWaalsContact C-N 3.32Å; G381-R383 PolarHBondContact O-N 2.85Å
382	G	92.8	Very high	92.7	Very high	48 Å²	48	50.7 Å²	50.7	50%	0.495	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	11.5	166.6	0	0	0	0	0	116.3	R377 L380	R377-G382 WeakPolarHBondContact O-CA 3.32Å; R377-G382 PolarHBondContact O-N 3.35Å; L380-G382 PolarHBondContact O-N 2.8Å; L380-G382 VanDerWaalsContact O-N 3.14Å
383	R	93	Very high	92.3	Very high	160 Å²	160	52.8 Å²	52.8	60%	0.604	28%	0.283	S	S	*	.			trans	-116.6	-8.8	178.3	-73.8	-172.9	177	165.8	-5	115	K314 P315 G381 Y385	K314-R383 HydrophobicContact CB-CG 4.33Å; K314-R383 WeakPolarHBondContact O-CD 3.4Å; P315-R383 CarbonylContact O-C 3.51Å; P315-R383 WeakPolarHBondContact O-CB 3.44Å; G381-R383 VanDerWaalsContact C-N 3.32Å; G381-R383 PolarHBondContact O-N 2.85Å; R383-Y385 WeakPolarHBondContact O-CD1 3.32Å; R383-Y385 PolarHBondContact O-N 2.82Å
384	V	94	Very high	92	Very high	10 Å²	10	53.2 Å²	53.2	6%	0.061	29%	0.285	C	S	.	.			trans	-59.5	124.2	-177.8	-175.6	0	0	0	0	111.5	P315 G316 I318 L380 C386 V387 F406	P315-V384 PolarHBondContact O-N 3.33Å; G316-V384 WeakPolarHBondContact O-CA 3.33Å; I318-V384 HydrophobicContact CG1-CG1 4.41Å; I318-V384 HydrophobicContact CG1-CG2 3.63Å; L380-V384 HydrophobicContact CB-CG2 3.71Å; L380-V384 HydrophobicContact CD1-CG2 4.48Å; L380-V384 WeakPolarHBondContact O-CG2 3.49Å; V384-C386 VanDerWaalsContact CG1-O 3.31Å; V384-C386 WeakPolarHBondContact CG1-O 3.35Å; V384-V387 HydrophobicContact CG1-CG2 4.07Å; V384-F406 HydrophobicContact CB-CD1 3.95Å; V384-F406 HydrophobicContact CB-CE1 4.35Å; V384-F406 HydrophobicContact CG1-CB 4.35Å; V384-F406 HydrophobicContact CG1-CD1 3.69Å; V384-F406 HydrophobicContact CG1-CE1 4.35Å; V384-F406 HydrophobicContact CG1-CG 4.24Å
385	Y	90.7	Very high	91.6	Very high	68 Å²	68	47 Å²	47	27%	0.267	26%	0.264	S	S	.	.			trans	-125.7	-6.5	173.7	58.1	-101.9	0	0	0	112.9	L264 G316 V317 R383 F406 L408	L264-Y385 HydrophobicContact CD2-CE2 4.45Å; L264-Y385 PolarHBondContact O-OH 3.42Å; G316-Y385 VanDerWaalsContact CA-CE1 3.43Å; G316-Y385 WeakPolarHBondContact O-CD1 3.36Å; G316-Y385 WeakPolarHBondContact O-CE1 3.38Å; G316-Y385 PolarHBondContact O-N 3.28Å; V317-Y385 HydrophobicContact CG2-CE2 3.94Å; R383-Y385 WeakPolarHBondContact O-CD1 3.32Å; R383-Y385 PolarHBondContact O-N 2.82Å; Y385-F406 CarbonylContact C-O 3.52Å; Y385-F406 VanDerWaalsContact C-O 3.26Å; Y385-L408 WeakPolarHBondContact O-CB 3.43Å; Y385-L408 PolarHBondContact O-N 3.04Å
386	C	94.4	Very high	91.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.1	172.8	-172.6	0	0	0	0	109.8	G316 V317 I318 V384 L408	G316-C386 PolarHBondContact O-N 3.34Å; V317-C386 WeakPolarHBondContact CA-O 3.35Å; V317-C386 HydrophobicContact CG1-CB 4.13Å; V317-C386 HydrophobicContact CG2-CB 4.14Å; I318-C386 PolarHBondContact N-O 2.98Å; I318-C386 VanDerWaalsContact N-O 3.16Å; V384-C386 VanDerWaalsContact CG1-O 3.31Å; V384-C386 WeakPolarHBondContact CG1-O 3.35Å; C386-L408 WeakPolarHBondContact CA-O 3.44Å; C386-L408 HydrophobicContact CB-CB 3.87Å; C386-L408 HydrophobicContact CB-CD1 4.34Å
387	V	96.5	Very high	91.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.9	167.4	174.7	0	0	0	0	108	I318 L325 V384 V402 F406 L408 L409 A410	I318-V387 CarbonylContact O-C 3.58Å; I318-V387 VanDerWaalsContact O-CA 3.28Å; I318-V387 WeakPolarHBondContact O-CA 3.36Å; L325-V387 HydrophobicContact CD1-CG1 4.16Å; L325-V387 HydrophobicContact CD2-CG1 3.93Å; V384-V387 HydrophobicContact CG1-CG2 4.07Å; V387-V402 HydrophobicContact CB-CG1 3.61Å; V387-V402 HydrophobicContact CG1-CG1 3.98Å; V387-V402 HydrophobicContact CG2-CG1 3.77Å; V387-F406 HydrophobicContact CG2-CB 3.86Å; V387-F406 HydrophobicContact CG2-CD2 3.99Å; V387-F406 HydrophobicContact CG2-CG 3.91Å; V387-L408 PolarHBondContact N-O 3.36Å; V387-L409 HydrophobicContact CB-CD1 4.36Å; V387-L409 HydrophobicContact CG1-CD1 4.31Å; V387-L409 CarbonylContact O-C 3.53Å; V387-L409 WeakPolarHBondContact O-CA 3.37Å; V387-A410 PolarHBondContact O-N 2.83Å
388	V	96.2	Very high	91	Very high	28 Å²	28	42.7 Å²	42.7	17%	0.17	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.4	171	-176.5	0	0	0	0	107.8	M281 V317 I318 T319 A320 A410	M281-V388 HydrophobicContact CE-CG1 4.38Å; V317-V388 HydrophobicContact CG1-CG2 3.69Å; I318-V388 PolarHBondContact O-N 2.85Å; T319-V388 CarbonylContact C-O 3.59Å; T319-V388 WeakPolarHBondContact CA-O 3.5Å; T319-V388 HydrophobicContact CG2-CB 4.27Å; T319-V388 HydrophobicContact CG2-CG1 4.38Å; A320-V388 PolarHBondContact N-O 3.13Å; V388-A410 CarbonylContact C-O 3.49Å; V388-A410 WeakPolarHBondContact CA-O 3.48Å; V388-A410 HydrophobicContact CG2-CB 4.18Å
389	S	94.6	Very high	91	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.8	176.8	-172.1	0	0	0	0	110.6	A320 A410 G412	A320-S389 WeakPolarHBondContact O-CA 3.37Å; S389-A410 PolarHBondContact N-O 3.41Å; S389-G412 PolarHBondContact O-N 3.41Å
390	G	90	Very high	91	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.031	22%	0.219	C	C	.	.			trans	-177.1	-178.3	176.9	0	0	0	0	0	113.4	A320 P322 A392	A320-G390 PolarHBondContact O-N 2.75Å; P322-G390 WeakPolarHBondContact CD-O 3.49Å; G390-A392 PolarHBondContact O-N 3.24Å
391	G	82.5	Confident	91.1	Very high	74 Å²	74	35.4 Å²	35.4	76%	0.763	22%	0.217	S	C	*	.	S	Bend	trans	81.1	-15.8	-177.6	0	0	0	0	0	115.2
392	A	84.7	Confident	91.2	Very high	55 Å²	55	34.8 Å²	34.8	46%	0.455	21%	0.21	S	C	.	.	S	Bend	trans	-159.3	164.6	169.6	0	0	0	0	0	109.6	P322 G390	P322-A392 HydrophobicContact CG-CB 4.05Å; P322-A392 VanDerWaalsContact CG-O 3.28Å; P322-A392 WeakPolarHBondContact CG-O 3.31Å; G390-A392 PolarHBondContact O-N 3.24Å
393	P	84.3	Confident	91.2	Very high	61 Å²	61	32.7 Å²	32.7	40%	0.396	19%	0.188	S	C	.	.			trans	-58.3	142.4	173.2	-25.5	35.8	0	0	0	113.4	P322 M531	P322-P393 WeakPolarHBondContact CB-O 3.31Å; P322-P393 VanDerWaalsContact CG-O 3.25Å; P322-P393 WeakPolarHBondContact CG-O 3.03Å; P393-M531 HydrophobicContact CB-CE 3.63Å; P393-M531 HydrophobicContact CB-SD 3.71Å
394	L	86.4	Confident	91.3	Very high	10 Å²	10	25 Å²	25	5%	0.052	16%	0.159	C	C	.	.			trans	-104.7	126.1	174	-171.9	64.8	0	0	0	109.7	P322 L325 I398 S399 L409 E411	P322-L394 HydrophobicContact CB-CD1 3.84Å; P322-L394 HydrophobicContact CG-CB 4.43Å; P322-L394 HydrophobicContact CG-CD1 4.22Å; L325-L394 HydrophobicContact CB-CD1 4.23Å; L325-L394 HydrophobicContact CD1-CD1 3.84Å; L325-L394 HydrophobicContact CD1-CD2 4.08Å; L394-I398 HydrophobicContact CD1-CB 3.95Å; L394-I398 HydrophobicContact CD1-CG2 3.71Å; L394-I398 HydrophobicContact CG-CB 4.29Å; L394-I398 HydrophobicContact CG-CG2 4.43Å; L394-S399 VanDerWaalsContact CD2-OG 3.27Å; L394-S399 WeakPolarHBondContact CD2-OG 3.17Å; L394-S399 WeakPolarHBondContact CG-OG 3.31Å; L394-L409 HydrophobicContact CD2-CD1 4.21Å; L394-L409 HydrophobicContact CD2-CD2 4.02Å; L394-E411 HydrophobicContact CD2-CG 4.4Å
395	P	85.3	Confident	91.3	Very high	18 Å²	18	24.6 Å²	24.6	12%	0.117	16%	0.156	C	C	.	.			trans	-68.6	138.3	178.8	-17.1	28.7	0	0	0	112.1	E397 I398 S399 M531	P395-E397 VanDerWaalsContact C-N 3.26Å; P395-E397 PolarHBondContact O-N 2.84Å; P395-E397 VanDerWaalsContact O-N 3.07Å; P395-I398 HydrophobicContact CB-CG1 4.04Å; P395-I398 HydrophobicContact CG-CG1 4.08Å; P395-I398 WeakPolarHBondContact O-CA 3.37Å; P395-I398 VanDerWaalsContact O-CB 3.3Å; P395-I398 WeakPolarHBondContact O-CB 3.38Å; P395-I398 PolarHBondContact O-N 2.9Å; P395-S399 PolarHBondContact O-N 3.15Å; P395-M531 HydrophobicContact CB-CE 3.99Å; P395-M531 HydrophobicContact CG-CE 3.74Å
396	T	90.5	Very high	91.4	Very high	70 Å²	70	21.5 Å²	21.5	43%	0.429	14%	0.144	S	C	.	.	H	α-helix	trans	-47.4	-40.5	-175.5	-58.9	0	0	0	0	114.5	I398 S399 K400 L432	T396-I398 VanDerWaalsContact C-N 3.34Å; T396-S399 PolarHBondContact O-N 3.14Å; T396-K400 WeakPolarHBondContact O-CB 3.31Å; T396-K400 PolarHBondContact O-N 2.9Å; T396-L432 HydrophobicContact CG2-CB 3.89Å; T396-L432 HydrophobicContact CG2-CD1 3.87Å
397	E	88.5	Confident	91.3	Very high	51 Å²	51	21.4 Å²	21.4	24%	0.238	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-27.8	177.9	-72.2	-59.7	118.1	0	0	113.4	P395 K400 F401	P395-E397 VanDerWaalsContact C-N 3.26Å; P395-E397 PolarHBondContact O-N 2.84Å; P395-E397 VanDerWaalsContact O-N 3.07Å; E397-K400 WeakPolarHBondContact OE1-CD 3.43Å; E397-K400 WeakPolarHBondContact OE1-CE 3.33Å; E397-K400 IonicContact OE1-NZ 2.71Å; E397-K400 PolarHBondContact OE1-NZ 2.87Å; E397-K400 WeakPolarHBondContact OE2-CD 3.47Å; E397-K400 IonicContact OE2-NZ 3.77Å; E397-K400 PolarHBondContact OE2-NZ 2.69Å; E397-F401 VanDerWaalsContact O-CB 3.31Å; E397-F401 WeakPolarHBondContact O-CB 3.36Å; E397-F401 PolarHBondContact O-N 2.94Å
398	I	90.6	Very high	91.1	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.031	15%	0.145	C	C	.	.	H	α-helix	trans	-73.1	-46.4	170.9	-46.2	-57.3	0	0	0	109.6	L325 Y329 L394 P395 T396 K400 F401 V402	L325-I398 HydrophobicContact CB-CG2 3.7Å; Y329-I398 HydrophobicContact CD1-CD1 3.57Å; Y329-I398 HydrophobicContact CD2-CD1 3.64Å; Y329-I398 HydrophobicContact CE1-CD1 4.04Å; Y329-I398 HydrophobicContact CE2-CD1 4.07Å; Y329-I398 HydrophobicContact CG-CD1 3.36Å; L394-I398 HydrophobicContact CD1-CB 3.95Å; L394-I398 HydrophobicContact CD1-CG2 3.71Å; L394-I398 HydrophobicContact CG-CB 4.29Å; L394-I398 HydrophobicContact CG-CG2 4.43Å; P395-I398 HydrophobicContact CB-CG1 4.04Å; P395-I398 HydrophobicContact CG-CG1 4.08Å; P395-I398 WeakPolarHBondContact O-CA 3.37Å; P395-I398 VanDerWaalsContact O-CB 3.3Å; P395-I398 WeakPolarHBondContact O-CB 3.38Å; P395-I398 PolarHBondContact O-N 2.9Å; T396-I398 VanDerWaalsContact C-N 3.34Å; I398-K400 PolarHBondContact O-N 2.78Å; I398-F401 WeakPolarHBondContact O-CB 3.44Å; I398-F401 PolarHBondContact O-N 2.89Å; I398-V402 HydrophobicContact CG2-CG2 4.42Å; I398-V402 WeakPolarHBondContact O-CG2 3.34Å; I398-V402 PolarHBondContact O-N 2.7Å
399	S	94	Very high	91.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-55.6	-49.7	174.9	-54.2	0	0	0	0	111.3	L394 P395 T396 F401 V402 H403 E411	L394-S399 VanDerWaalsContact CD2-OG 3.27Å; L394-S399 WeakPolarHBondContact CD2-OG 3.17Å; L394-S399 WeakPolarHBondContact CG-OG 3.31Å; P395-S399 PolarHBondContact O-N 3.15Å; T396-S399 PolarHBondContact O-N 3.14Å; S399-F401 PolarHBondContact O-N 2.99Å; S399-V402 PolarHBondContact O-N 3.15Å; S399-H403 WeakPolarHBondContact O-CB 3.37Å; S399-H403 PolarHBondContact O-CD2 3.01Å; S399-H403 VanDerWaalsContact O-CD2 3.24Å; S399-H403 PolarHBondContact O-N 3.04Å; S399-E411 WeakPolarHBondContact CB-OE1 3.46Å; S399-E411 PolarHBondContact OG-OE1 3.19Å
400	K	95.1	Very high	91.1	Very high	61 Å²	61	21.1 Å²	21.1	27%	0.265	14%	0.142	S	C	.	.	H	α-helix	trans	-56.2	-43.4	174.5	-178.5	-172.1	179.2	-170.3	0	113.1	V350 M354 T396 E397 I398 A404 L432	V350-K400 HydrophobicContact CG1-CG 4.1Å; M354-K400 HydrophobicContact SD-CG 4.46Å; T396-K400 WeakPolarHBondContact O-CB 3.31Å; T396-K400 PolarHBondContact O-N 2.9Å; E397-K400 WeakPolarHBondContact OE1-CD 3.43Å; E397-K400 WeakPolarHBondContact OE1-CE 3.33Å; E397-K400 IonicContact OE1-NZ 2.71Å; E397-K400 PolarHBondContact OE1-NZ 2.87Å; E397-K400 WeakPolarHBondContact OE2-CD 3.47Å; E397-K400 IonicContact OE2-NZ 3.77Å; E397-K400 PolarHBondContact OE2-NZ 2.69Å; I398-K400 PolarHBondContact O-N 2.78Å; K400-A404 WeakPolarHBondContact O-CB 3.48Å; K400-A404 PolarHBondContact O-N 2.8Å; K400-L432 HydrophobicContact CB-CD1 3.79Å; K400-L432 HydrophobicContact CG-CD1 4.3Å
401	F	94.9	Very high	91.4	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-43.9	174.5	163.5	-107.1	0	0	0	112.1	I328 Y329 Y332 Y346 F373 L376 E397 I398 S399 A404 A405	I328-F401 HydrophobicContact CG2-CE1 4.22Å; I328-F401 HydrophobicContact CG2-CZ 4.46Å; Y329-F401 HydrophobicContact CD2-CB 3.64Å; Y329-F401 AromaticContact CD2-CD1 3.7Å; Y329-F401 HydrophobicContact CD2-CD1 3.7Å; Y329-F401 HydrophobicContact CD2-CD2 4.21Å; Y329-F401 HydrophobicContact CD2-CE1 4.36Å; Y329-F401 AromaticContact CD2-CG 3.6Å; Y329-F401 HydrophobicContact CD2-CG 3.6Å; Y329-F401 HydrophobicContact CE2-CB 3.91Å; Y329-F401 HydrophobicContact CE2-CG 4.26Å; Y329-F401 HydrophobicContact CG-CD1 4.38Å; Y332-F401 HydrophobicContact CD1-CD2 4.45Å; Y332-F401 AromaticContact CD1-CE2 3.48Å; Y332-F401 HydrophobicContact CD1-CE2 3.48Å; Y332-F401 VanDerWaalsContact CD1-CE2 3.48Å; Y332-F401 HydrophobicContact CD1-CZ 4.07Å; Y332-F401 AromaticContact CE1-CE2 3.96Å; Y332-F401 HydrophobicContact CE1-CE2 3.96Å; Y332-F401 AromaticContact CG-CE2 3.89Å; Y332-F401 HydrophobicContact CG-CE2 3.89Å; Y332-F401 AromaticContact CG-CZ 3.99Å; Y332-F401 HydrophobicContact CG-CZ 3.99Å; Y346-F401 HydrophobicContact CE2-CD2 4.08Å; Y346-F401 HydrophobicContact CE2-CE2 4.47Å; F373-F401 HydrophobicContact CE1-CE2 4.33Å; L376-F401 HydrophobicContact CD2-CE1 4.45Å; L376-F401 HydrophobicContact CD2-CE2 3.94Å; L376-F401 HydrophobicContact CD2-CZ 3.52Å; E397-F401 VanDerWaalsContact O-CB 3.31Å; E397-F401 WeakPolarHBondContact O-CB 3.36Å; E397-F401 PolarHBondContact O-N 2.94Å; I398-F401 WeakPolarHBondContact O-CB 3.44Å; I398-F401 PolarHBondContact O-N 2.89Å; S399-F401 PolarHBondContact O-N 2.99Å; F401-A404 PolarHBondContact O-N 3.27Å; F401-A405 HydrophobicContact CE2-CB 4.41Å; F401-A405 VanDerWaalsContact O-CB 3.23Å; F401-A405 WeakPolarHBondContact O-CB 3.24Å; F401-A405 PolarHBondContact O-N 2.78Å
402	V	95.5	Very high	92	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	12%	0.119	C	C	.	.	H	α-helix	trans	-66.2	-42.9	178.4	172.4	0	0	0	0	111.1	L325 V387 I398 S399 A404 A405 F406 G407 L409	L325-V402 HydrophobicContact CD1-CG2 4.4Å; L325-V402 HydrophobicContact CD2-CG2 4.24Å; V387-V402 HydrophobicContact CB-CG1 3.61Å; V387-V402 HydrophobicContact CG1-CG1 3.98Å; V387-V402 HydrophobicContact CG2-CG1 3.77Å; I398-V402 HydrophobicContact CG2-CG2 4.42Å; I398-V402 WeakPolarHBondContact O-CG2 3.34Å; I398-V402 PolarHBondContact O-N 2.7Å; S399-V402 PolarHBondContact O-N 3.15Å; V402-A404 PolarHBondContact O-N 2.87Å; V402-A405 PolarHBondContact O-N 2.87Å; V402-F406 HydrophobicContact CG1-CD2 4.19Å; V402-F406 WeakPolarHBondContact O-CA 3.46Å; V402-F406 WeakPolarHBondContact O-CB 3.47Å; V402-F406 PolarHBondContact O-N 2.96Å; V402-G407 PolarHBondContact O-N 3.14Å; V402-L409 HydrophobicContact CG1-CB 4.28Å; V402-L409 HydrophobicContact CG1-CD1 3.92Å; V402-L409 HydrophobicContact CG1-CG 4.48Å
403	H	94.1	Very high	92.5	Very high	4 Å²	4	18 Å²	18	2%	0.019	10%	0.103	C	C	.	.	H	α-helix	trans	-54.9	-49.3	170.1	-88.5	-72.4	0	0	0	111.7	M354 Q357 S399 G407 E429 L432	M354-H403 HydrophobicContact CE-CB 4.36Å; M354-H403 HydrophobicContact SD-CB 3.94Å; Q357-H403 PolarHBondContact NE2-O 3.49Å; Q357-H403 PolarHBondContact OE1-ND1 2.95Å; S399-H403 WeakPolarHBondContact O-CB 3.37Å; S399-H403 PolarHBondContact O-CD2 3.01Å; S399-H403 VanDerWaalsContact O-CD2 3.24Å; S399-H403 PolarHBondContact O-N 3.04Å; H403-G407 PolarHBondContact ND1-O 3.18Å; H403-G407 WeakPolarHBondContact O-CA 3.3Å; H403-G407 PolarHBondContact O-N 2.85Å; H403-E429 PolarHBondContact CE1-O 3.13Å; H403-L432 WeakPolarHBondContact CD2-CD2 3.44Å
404	A	93.9	Very high	93	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-43.8	178.8	0	0	0	0	0	113	V350 K353 F373 K400 F401 V402	V350-A404 HydrophobicContact CB-CB 4.3Å; V350-A404 HydrophobicContact CG1-CB 4.3Å; V350-A404 HydrophobicContact CG2-CB 3.84Å; K353-A404 HydrophobicContact CB-CB 3.99Å; K353-A404 HydrophobicContact CG-CB 4.2Å; F373-A404 HydrophobicContact CE2-CB 4.35Å; F373-A404 WeakPolarHBondContact CE2-O 3.35Å; F373-A404 HydrophobicContact CZ-CB 4.07Å; K400-A404 WeakPolarHBondContact O-CB 3.48Å; K400-A404 PolarHBondContact O-N 2.8Å; F401-A404 PolarHBondContact O-N 3.27Å; V402-A404 PolarHBondContact O-N 2.87Å
405	A	94.4	Very high	93.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-78.2	-37.3	-175	0	0	0	0	0	113.8	F373 L376 R377 F401 V402	F373-A405 HydrophobicContact CD1-CB 3.79Å; F373-A405 HydrophobicContact CE1-CB 3.85Å; F373-A405 HydrophobicContact CG-CB 4.19Å; F373-A405 HydrophobicContact CZ-CB 4.29Å; L376-A405 HydrophobicContact CD2-CB 3.72Å; R377-A405 VanDerWaalsContact CZ-O 3.23Å; R377-A405 PolarHBondContact NE-O 3.42Å; R377-A405 PolarHBondContact NH2-O 2.84Å; F401-A405 HydrophobicContact CE2-CB 4.41Å; F401-A405 VanDerWaalsContact O-CB 3.23Å; F401-A405 WeakPolarHBondContact O-CB 3.24Å; F401-A405 PolarHBondContact O-N 2.78Å; V402-A405 PolarHBondContact O-N 2.87Å
406	F	93.2	Very high	93.9	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.013	11%	0.106	C	C	.	.	H	α-helix	trans	-123.6	-11.7	-169.5	-59.8	-73.4	0	0	0	114.5	H364 L376 R377 L380 V384 Y385 V387 V402 L408	H364-F406 VanDerWaalsContact CE1-C 3.5Å; H364-F406 PolarHBondContact NE2-O 2.92Å; L376-F406 HydrophobicContact CD1-CZ 4.11Å; L376-F406 HydrophobicContact CD2-CE2 4.13Å; L376-F406 HydrophobicContact CD2-CZ 4.04Å; L376-F406 HydrophobicContact CG-CE2 4.32Å; L376-F406 HydrophobicContact CG-CZ 3.76Å; R377-F406 HydrophobicContact CG-CD1 4.43Å; R377-F406 HydrophobicContact CG-CE1 4.13Å; L380-F406 HydrophobicContact CD1-CE1 3.79Å; L380-F406 HydrophobicContact CD1-CE2 4.41Å; L380-F406 HydrophobicContact CD1-CZ 3.6Å; V384-F406 HydrophobicContact CB-CD1 3.95Å; V384-F406 HydrophobicContact CB-CE1 4.35Å; V384-F406 HydrophobicContact CG1-CB 4.35Å; V384-F406 HydrophobicContact CG1-CD1 3.69Å; V384-F406 HydrophobicContact CG1-CE1 4.35Å; V384-F406 HydrophobicContact CG1-CG 4.24Å; Y385-F406 CarbonylContact C-O 3.52Å; Y385-F406 VanDerWaalsContact C-O 3.26Å; V387-F406 HydrophobicContact CG2-CB 3.86Å; V387-F406 HydrophobicContact CG2-CD2 3.99Å; V387-F406 HydrophobicContact CG2-CG 3.91Å; V402-F406 HydrophobicContact CG1-CD2 4.19Å; V402-F406 WeakPolarHBondContact O-CA 3.46Å; V402-F406 WeakPolarHBondContact O-CB 3.47Å; V402-F406 PolarHBondContact O-N 2.96Å; F406-L408 PolarHBondContact O-N 3.37Å
407	G	91.7	Very high	94.1	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.09	C	C	.	.	S	Bend	trans	97	-87.9	168.8	0	0	0	0	0	111.7	Q357 H364 V402 H403	Q357-G407 PolarHBondContact NE2-O 3.05Å; Q357-G407 VanDerWaalsContact NE2-O 3.14Å; H364-G407 VanDerWaalsContact CE1-CA 3.4Å; H364-G407 WeakPolarHBondContact CE1-CA 3.35Å; H364-G407 PolarHBondContact CE1-N 3.33Å; H364-G407 VanDerWaalsContact CE1-N 3.32Å; H364-G407 WeakPolarHBondContact NE2-CA 3.17Å; H364-G407 PolarHBondContact NE2-N 3.03Å; V402-G407 PolarHBondContact O-N 3.14Å; H403-G407 PolarHBondContact ND1-O 3.18Å; H403-G407 WeakPolarHBondContact O-CA 3.3Å; H403-G407 PolarHBondContact O-N 2.85Å
408	L	93.8	Very high	94.5	Very high	9 Å²	9	12.9 Å²	12.9	5%	0.047	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139	172.7	-64.9	168.4	0	0	0	110	L24 L264 F362 Y385 C386 V387 F406 V427	L24-L408 HydrophobicContact CD1-CD1 4.39Å; L24-L408 HydrophobicContact CD2-CD1 4.35Å; L264-L408 HydrophobicContact CD2-CD1 3.6Å; F362-L408 HydrophobicContact CB-CD2 4.27Å; F362-L408 HydrophobicContact CB-CG 4.31Å; F362-L408 HydrophobicContact CD1-CD2 3.65Å; F362-L408 HydrophobicContact CD1-CG 4.24Å; F362-L408 HydrophobicContact CD2-CD2 4.3Å; F362-L408 HydrophobicContact CE1-CD2 4.1Å; F362-L408 HydrophobicContact CG-CD2 3.79Å; F362-L408 HydrophobicContact CG-CG 4.33Å; Y385-L408 WeakPolarHBondContact O-CB 3.43Å; Y385-L408 PolarHBondContact O-N 3.04Å; C386-L408 WeakPolarHBondContact CA-O 3.44Å; C386-L408 HydrophobicContact CB-CB 3.87Å; C386-L408 HydrophobicContact CB-CD1 4.34Å; V387-L408 PolarHBondContact N-O 3.36Å; F406-L408 PolarHBondContact O-N 3.37Å; L408-V427 HydrophobicContact CD1-CG1 4.09Å; L408-V427 HydrophobicContact CD2-CG1 4.14Å
409	L	95.1	Very high	94.8	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.4	163.7	171.5	63.6	0	0	0	106.5	V387 L394 V402 E411	V387-L409 HydrophobicContact CB-CD1 4.36Å; V387-L409 HydrophobicContact CG1-CD1 4.31Å; V387-L409 CarbonylContact O-C 3.53Å; V387-L409 WeakPolarHBondContact O-CA 3.37Å; L394-L409 HydrophobicContact CD2-CD1 4.21Å; L394-L409 HydrophobicContact CD2-CD2 4.02Å; V402-L409 HydrophobicContact CG1-CB 4.28Å; V402-L409 HydrophobicContact CG1-CD1 3.92Å; V402-L409 HydrophobicContact CG1-CG 4.48Å; L409-E411 HydrophobicContact CD1-CG 4.15Å; L409-E411 HydrophobicContact CD2-CG 3.77Å; L409-E411 WeakPolarHBondContact CD2-OE1 3.38Å; L409-E411 HydrophobicContact CG-CG 3.76Å
410	A	95.2	Very high	94.7	Very high	10 Å²	10	13.9 Å²	13.9	8%	0.083	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	98.2	172.1	0	0	0	0	0	108	V387 V388 S389 T425	V387-A410 PolarHBondContact O-N 2.83Å; V388-A410 CarbonylContact C-O 3.49Å; V388-A410 WeakPolarHBondContact CA-O 3.48Å; V388-A410 HydrophobicContact CG2-CB 4.18Å; S389-A410 PolarHBondContact N-O 3.41Å; A410-T425 VanDerWaalsContact CA-OG1 3.28Å; A410-T425 WeakPolarHBondContact CA-OG1 3.19Å
411	E	96	Very high	94.7	Very high	14 Å²	14	11.6 Å²	11.6	7%	0.065	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	132.6	172.9	-55.8	-163.1	-146.8	0	0	108.9	L394 S399 L409 I424 T425	L394-E411 HydrophobicContact CD2-CG 4.4Å; S399-E411 WeakPolarHBondContact CB-OE1 3.46Å; S399-E411 PolarHBondContact OG-OE1 3.19Å; L409-E411 HydrophobicContact CD1-CG 4.15Å; L409-E411 HydrophobicContact CD2-CG 3.77Å; L409-E411 WeakPolarHBondContact CD2-OE1 3.38Å; L409-E411 HydrophobicContact CG-CG 3.76Å; E411-I424 WeakPolarHBondContact O-CA 3.49Å; E411-T425 HydrophobicContact CB-CG2 4.03Å; E411-T425 PolarHBondContact N-OG1 3.11Å; E411-T425 PolarHBondContact O-N 2.83Å
412	G	94.6	Very high	94.8	Very high	24 Å²	24	11.6 Å²	11.6	25%	0.247	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.8	-177.2	0	0	0	0	0	112.8	S389 A423	S389-G412 PolarHBondContact O-N 3.41Å; G412-A423 WeakPolarHBondContact CA-O 3.3Å
413	Y	96.4	Very high	94.9	Very high	27 Å²	27	11.6 Å²	11.6	11%	0.106	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	138.1	-177.9	167.1	-108	0	0	0	111.2	I422 A423 V435 I464 D496 L506 I508	Y413-I422 HydrophobicContact CD1-CB 3.83Å; Y413-I422 HydrophobicContact CD1-CD1 4.02Å; Y413-I422 HydrophobicContact CD1-CG1 4.47Å; Y413-I422 HydrophobicContact CD1-CG2 4.17Å; Y413-I422 HydrophobicContact CE1-CB 4.03Å; Y413-I422 HydrophobicContact CE1-CD1 3.44Å; Y413-I422 VanDerWaalsContact CE1-CD1 3.44Å; Y413-I422 HydrophobicContact CE1-CG1 4.32Å; Y413-I422 HydrophobicContact CE1-CG2 4.13Å; Y413-I422 WeakPolarHBondContact O-CA 3.39Å; Y413-I422 PolarHBondContact O-N 3.02Å; Y413-A423 PolarHBondContact N-O 2.8Å; Y413-A423 PolarHBondContact O-N 3.32Å; Y413-A423 VanDerWaalsContact O-N 3.09Å; Y413-V435 HydrophobicContact CD1-CG2 4.31Å; Y413-V435 HydrophobicContact CG-CG2 4.15Å; Y413-I464 HydrophobicContact CE1-CD1 3.91Å; Y413-I464 HydrophobicContact CE1-CG2 4.36Å; Y413-D496 VanDerWaalsContact OH-CB 3.27Å; Y413-D496 WeakPolarHBondContact OH-CB 3.07Å; Y413-D496 PolarHBondContact OH-OD2 2.86Å; Y413-L506 HydrophobicContact CD1-CD2 4.04Å; Y413-L506 HydrophobicContact CE1-CD2 4.18Å; Y413-I508 HydrophobicContact CD1-CD1 3.76Å; Y413-I508 HydrophobicContact CD2-CD1 3.73Å; Y413-I508 HydrophobicContact CD2-CG1 3.94Å; Y413-I508 HydrophobicContact CE1-CD1 3.71Å; Y413-I508 HydrophobicContact CE2-CD1 3.69Å; Y413-I508 HydrophobicContact CE2-CG1 4.2Å; Y413-I508 HydrophobicContact CG-CD1 3.77Å; Y413-I508 HydrophobicContact CG-CG1 4.19Å
414	G	94.9	Very high	95	Very high	24 Å²	24	12.7 Å²	12.7	25%	0.247	9%	0.089	C	C	.	.			trans	165.2	157.5	179	0	0	0	0	0	111.2
415	S	94.6	Very high	95.1	Very high	37 Å²	37	13.1 Å²	13.1	26%	0.259	9%	0.092	S	C	.	.			trans	-108.1	175.7	174.5	83.7	0	0	0	0	111	E417 T418 M419 G420	S415-E417 WeakPolarHBondContact CB-OE2 3.3Å; S415-E417 PolarHBondContact O-N 3.43Å; S415-E417 PolarHBondContact OG-N 2.61Å; S415-E417 PolarHBondContact OG-OE2 2.68Å; S415-T418 PolarHBondContact N-OG1 3.35Å; S415-T418 CarbonylContact O-C 3.56Å; S415-T418 PolarHBondContact O-N 2.83Å; S415-T418 VanDerWaalsContact O-N 3.1Å; S415-T418 PolarHBondContact O-OG1 3.24Å; S415-M419 PolarHBondContact O-N 3.25Å; S415-G420 WeakPolarHBondContact O-CA 3.36Å; S415-G420 PolarHBondContact O-N 3.27Å
416	T	94.1	Very high	95	Very high	22 Å²	22	13.2 Å²	13.2	14%	0.135	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-62.6	-37.2	176.4	-58.2	0	0	0	0	111.1	C230 T232 V242 M280 T418 M419	C230-T416 HydrophobicContact CB-CG2 3.71Å; C230-T416 WeakPolarHBondContact SG-CG2 3.33Å; T232-T416 HydrophobicContact CG2-CG2 3.81Å; T232-T416 VanDerWaalsContact CG2-OG1 3.29Å; T232-T416 WeakPolarHBondContact CG2-OG1 3.45Å; V242-T416 HydrophobicContact CB-CG2 3.85Å; V242-T416 HydrophobicContact CG1-CG2 4.1Å; V242-T416 HydrophobicContact CG2-CG2 3.82Å; M280-T416 HydrophobicContact CB-CG2 4.21Å; M280-T416 HydrophobicContact CE-CG2 4.2Å; T416-T418 PolarHBondContact O-N 2.93Å; T416-M419 PolarHBondContact O-N 3.32Å
417	E	96.1	Very high	95	Very high	18 Å²	18	13.5 Å²	13.5	8%	0.084	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-62.9	-21.2	176.3	-56.8	75.5	-169.4	0	0	112.4	T232 V242 S415 T472 Y475 L485 L492	T232-E417 PolarHBondContact OG1-OE1 2.98Å; V242-E417 HydrophobicContact CG1-CG 4.36Å; V242-E417 HydrophobicContact CG2-CG 3.84Å; V242-E417 WeakPolarHBondContact CG2-OE1 3.3Å; S415-E417 WeakPolarHBondContact CB-OE2 3.3Å; S415-E417 PolarHBondContact O-N 3.43Å; S415-E417 PolarHBondContact OG-N 2.61Å; S415-E417 PolarHBondContact OG-OE2 2.68Å; E417-T472 HydrophobicContact CB-CG2 3.79Å; E417-T472 HydrophobicContact CG-CG2 4.32Å; E417-T472 WeakPolarHBondContact O-CB 3.45Å; E417-T472 WeakPolarHBondContact O-CG2 3.42Å; E417-T472 PolarHBondContact O-N 2.99Å; E417-Y475 HydrophobicContact CG-CE1 3.86Å; E417-L485 HydrophobicContact CB-CD2 4.24Å; E417-L485 HydrophobicContact CG-CD1 4.46Å; E417-L485 HydrophobicContact CG-CD2 4.05Å; E417-L492 HydrophobicContact CB-CD1 3.99Å; E417-L492 WeakPolarHBondContact O-CD1 3.37Å
418	T	96.5	Very high	94.9	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.012	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-112.3	26	172	72.1	0	0	0	0	112.9	S415 T416 G420 S421 I422 R470 L492	S415-T418 PolarHBondContact N-OG1 3.35Å; S415-T418 CarbonylContact O-C 3.56Å; S415-T418 PolarHBondContact O-N 2.83Å; S415-T418 VanDerWaalsContact O-N 3.1Å; S415-T418 PolarHBondContact O-OG1 3.24Å; T416-T418 PolarHBondContact O-N 2.93Å; T418-G420 PolarHBondContact O-N 3.23Å; T418-G420 VanDerWaalsContact O-N 3.13Å; T418-S421 PolarHBondContact O-N 3.37Å; T418-S421 VanDerWaalsContact O-N 3.1Å; T418-I422 HydrophobicContact CG2-CD1 3.84Å; T418-I422 HydrophobicContact CG2-CG1 3.92Å; T418-I422 WeakPolarHBondContact OG1-CG1 3.35Å; T418-R470 WeakPolarHBondContact O-CD 3.18Å; T418-R470 WeakPolarHBondContact O-CG 3.36Å; T418-L492 HydrophobicContact CG2-CD1 3.98Å; T418-L492 HydrophobicContact CG2-CD2 3.79Å
419	M	96.3	Very high	94.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	38.3	-178.5	-44.9	-59.2	145.4	0	0	114	V244 Q248 A252 M280 S415 T416 S421 R470	V244-M419 HydrophobicContact CB-CE 4.48Å; V244-M419 HydrophobicContact CB-SD 4.25Å; V244-M419 HydrophobicContact CG1-CE 4.42Å; V244-M419 HydrophobicContact CG1-SD 3.7Å; V244-M419 HydrophobicContact CG2-CE 4.04Å; V244-M419 HydrophobicContact CG2-SD 3.81Å; Q248-M419 HydrophobicContact CB-CE 3.94Å; Q248-M419 HydrophobicContact CB-CG 3.89Å; Q248-M419 HydrophobicContact CB-SD 4.08Å; Q248-M419 HydrophobicContact CG-CE 4.33Å; A252-M419 HydrophobicContact CB-CB 3.69Å; M280-M419 HydrophobicContact CE-SD 3.71Å; M280-M419 HydrophobicContact CG-CB 4.4Å; M280-M419 HydrophobicContact SD-CB 4.09Å; M280-M419 HydrophobicContact SD-SD 4.17Å; S415-M419 PolarHBondContact O-N 3.25Å; T416-M419 PolarHBondContact O-N 3.32Å; M419-S421 PolarHBondContact O-N 3.45Å; M419-S421 VanDerWaalsContact O-N 3.16Å; M419-R470 HydrophobicContact CB-CG 3.61Å; M419-R470 WeakPolarHBondContact CE-O 3.33Å; M419-R470 HydrophobicContact CG-CG 3.63Å; M419-R470 VanDerWaalsContact CG-O 3.25Å; M419-R470 WeakPolarHBondContact CG-O 3.19Å
420	G	93.4	Very high	94.8	Very high	28 Å²	28	15.6 Å²	15.6	29%	0.289	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	4.8	178.2	0	0	0	0	0	115.8	S415 T418	S415-G420 WeakPolarHBondContact O-CA 3.36Å; S415-G420 PolarHBondContact O-N 3.27Å; T418-G420 PolarHBondContact O-N 3.23Å; T418-G420 VanDerWaalsContact O-N 3.13Å
421	S	94.5	Very high	94.7	Very high	12 Å²	12	17.3 Å²	17.3	8%	0.084	11%	0.106	C	C	.	.			trans	-140.9	109.8	-173.3	-171.4	0	0	0	0	114.2	S255 T418 M419 R470	S255-S421 WeakPolarHBondContact OG-CB 3.46Å; S255-S421 PolarHBondContact OG-OG 2.81Å; T418-S421 PolarHBondContact O-N 3.37Å; T418-S421 VanDerWaalsContact O-N 3.1Å; M419-S421 PolarHBondContact O-N 3.45Å; M419-S421 VanDerWaalsContact O-N 3.16Å; S421-R470 VanDerWaalsContact O-CD 3.26Å; S421-R470 WeakPolarHBondContact O-CD 3.29Å; S421-R470 PolarHBondContact O-NH1 2.7Å
422	I	97.5	Very high	94.6	Very high	1 Å²	1	19 Å²	19	1%	0.005	12%	0.116	C	C	.	.	S	Bend	trans	-117	-49.9	166.7	-58.8	167	0	0	0	109.5	Y413 T418 L438 A439 I442 V444 V466 T494	Y413-I422 HydrophobicContact CD1-CB 3.83Å; Y413-I422 HydrophobicContact CD1-CD1 4.02Å; Y413-I422 HydrophobicContact CD1-CG1 4.47Å; Y413-I422 HydrophobicContact CD1-CG2 4.17Å; Y413-I422 HydrophobicContact CE1-CB 4.03Å; Y413-I422 HydrophobicContact CE1-CD1 3.44Å; Y413-I422 VanDerWaalsContact CE1-CD1 3.44Å; Y413-I422 HydrophobicContact CE1-CG1 4.32Å; Y413-I422 HydrophobicContact CE1-CG2 4.13Å; Y413-I422 WeakPolarHBondContact O-CA 3.39Å; Y413-I422 PolarHBondContact O-N 3.02Å; T418-I422 HydrophobicContact CG2-CD1 3.84Å; T418-I422 HydrophobicContact CG2-CG1 3.92Å; T418-I422 WeakPolarHBondContact OG1-CG1 3.35Å; I422-L438 HydrophobicContact CG2-CD2 4.48Å; I422-A439 WeakPolarHBondContact O-CB 3.48Å; I422-A439 PolarHBondContact O-N 3.05Å; I422-I442 HydrophobicContact CB-CD1 4.43Å; I422-I442 HydrophobicContact CG2-CD1 4.12Å; I422-I442 WeakPolarHBondContact O-CD1 3.44Å; I422-V444 HydrophobicContact CG2-CG2 3.88Å; I422-V466 HydrophobicContact CD1-CG2 3.78Å; I422-V466 HydrophobicContact CG1-CG2 4.03Å; I422-V466 HydrophobicContact CG2-CG2 3.89Å; I422-T494 HydrophobicContact CD1-CG2 3.98Å
423	A	97.1	Very high	94.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.5	-179.9	0	0	0	0	0	111.6	G412 Y413 V435 S437 L506	G412-A423 WeakPolarHBondContact CA-O 3.3Å; Y413-A423 PolarHBondContact N-O 2.8Å; Y413-A423 PolarHBondContact O-N 3.32Å; Y413-A423 VanDerWaalsContact O-N 3.09Å; A423-V435 CarbonylContact C-O 3.6Å; A423-V435 HydrophobicContact CB-CB 4.48Å; A423-V435 HydrophobicContact CB-CG2 3.94Å; A423-S437 CarbonylContact C-O 3.54Å; A423-S437 WeakPolarHBondContact CA-O 3.48Å; A423-L506 HydrophobicContact CB-CB 4.24Å; A423-L506 HydrophobicContact CB-CD2 4Å
424	I	96	Very high	94.3	Very high	27 Å²	27	18.7 Å²	18.7	14%	0.138	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	135.4	176.2	179.3	167.8	0	0	0	111	A259 E411 L426 V435 S437	A259-I424 HydrophobicContact CB-CG2 3.37Å; E411-I424 WeakPolarHBondContact O-CA 3.49Å; I424-L426 PolarHBondContact O-N 2.65Å; I424-V435 CarbonylContact C-O 3.54Å; I424-V435 WeakPolarHBondContact CA-O 3.44Å; I424-V435 PolarHBondContact N-O 2.84Å; I424-S437 PolarHBondContact N-O 3.39Å; I424-S437 PolarHBondContact O-N 2.73Å
425	T	95.3	Very high	94.4	Very high	10 Å²	10	18.4 Å²	18.4	6%	0.061	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-67.9	128.8	178.1	59.2	0	0	0	0	111.5	A410 E411 E429 T434 V435	A410-T425 VanDerWaalsContact CA-OG1 3.28Å; A410-T425 WeakPolarHBondContact CA-OG1 3.19Å; E411-T425 HydrophobicContact CB-CG2 4.03Å; E411-T425 PolarHBondContact N-OG1 3.11Å; E411-T425 PolarHBondContact O-N 2.83Å; T425-E429 HydrophobicContact CG2-CG 4.43Å; T425-T434 VanDerWaalsContact CG2-O 3.26Å; T425-T434 WeakPolarHBondContact CG2-O 3.25Å; T425-V435 PolarHBondContact N-O 2.86Å
426	L	93.9	Very high	94.4	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-67.6	158.3	-175.5	-57.7	-175.5	0	0	0	113.2	H28 L29 Q32 F47 I424 G428 E429	H28-L426 HydrophobicContact CB-CD1 3.75Å; L29-L426 HydrophobicContact CD2-CB 3.94Å; Q32-L426 HydrophobicContact CG-CD1 3.99Å; F47-L426 HydrophobicContact CE2-CD2 3.55Å; F47-L426 HydrophobicContact CZ-CD1 4.44Å; F47-L426 HydrophobicContact CZ-CD2 3.79Å; I424-L426 PolarHBondContact O-N 2.65Å; L426-G428 PolarHBondContact O-N 2.97Å; L426-G428 VanDerWaalsContact O-N 3.16Å; L426-E429 WeakPolarHBondContact O-CB 3.5Å; L426-E429 PolarHBondContact O-N 3.48Å
427	V	91.5	Very high	94.5	Very high	8 Å²	8	15.7 Å²	15.7	5%	0.048	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	121.9	176.8	-162.8	0	0	0	0	110.4	L24 V25 S26 L264 L408	L24-V427 HydrophobicContact CD1-CG1 3.76Å; L24-V427 HydrophobicContact CG-CG1 4.07Å; L24-V427 WeakPolarHBondContact O-CB 3.47Å; L24-V427 WeakPolarHBondContact O-CG1 3.41Å; V25-V427 CarbonylContact C-O 3.51Å; V25-V427 WeakPolarHBondContact CA-O 3.45Å; S26-V427 PolarHBondContact N-O 2.83Å; L264-V427 HydrophobicContact CD1-CG2 4.11Å; L264-V427 HydrophobicContact CD2-CG1 3.84Å; L264-V427 HydrophobicContact CG-CG1 4.34Å; L264-V427 HydrophobicContact CG-CG2 4.18Å; L408-V427 HydrophobicContact CD1-CG1 4.09Å; L408-V427 HydrophobicContact CD2-CG1 4.14Å
428	G	91	Very high	94.5	Very high	2 Å²	2	14.9 Å²	14.9	2%	0.021	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	9.2	-176.9	0	0	0	0	0	115.2	L29 F362 L426	L29-G428 WeakPolarHBondContact CD1-O 3.34Å; F362-G428 WeakPolarHBondContact CZ-O 3.49Å; L426-G428 PolarHBondContact O-N 2.97Å; L426-G428 VanDerWaalsContact O-N 3.16Å
429	E	93.6	Very high	94.4	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.014	9%	0.088	C	C	.	.			trans	-59.8	146.7	165	-172.8	53	-91.6	0	0	110.9	L29 Q32 F362 H403 T425 L426 R431	L29-E429 HydrophobicContact CD2-CB 3.96Å; Q32-E429 PolarHBondContact NE2-OE2 2.89Å; F362-E429 WeakPolarHBondContact CE1-O 3.49Å; H403-E429 PolarHBondContact CE1-O 3.13Å; T425-E429 HydrophobicContact CG2-CG 4.43Å; L426-E429 WeakPolarHBondContact O-CB 3.5Å; L426-E429 PolarHBondContact O-N 3.48Å; E429-R431 WeakPolarHBondContact OE1-CB 3.24Å; E429-R431 IonicContact OE1-CZ 3.76Å; E429-R431 PolarHBondContact OE1-N 3.47Å; E429-R431 IonicContact OE1-NE 3.2Å; E429-R431 PolarHBondContact OE1-NE 3.28Å; E429-R431 IonicContact OE1-NH2 2.87Å; E429-R431 PolarHBondContact OE1-NH2 3.1Å; E429-R431 IonicContact OE2-CZ 2.68Å; E429-R431 IonicContact OE2-NE 2.67Å; E429-R431 PolarHBondContact OE2-NE 3.21Å; E429-R431 IonicContact OE2-NH2 2.78Å; E429-R431 PolarHBondContact OE2-NH2 3.37Å
430	Y	92.7	Very high	94.3	Very high	56 Å²	56	16.4 Å²	16.4	22%	0.22	10%	0.096	C	C	.	.			trans	-142.7	-9.8	-178.5	75.4	-85.5	0	0	0	113.2	K358	K358-Y430 HydrophobicContact CB-CD2 3.76Å; K358-Y430 HydrophobicContact CB-CE2 3.68Å; K358-Y430 HydrophobicContact CB-CG 4.35Å; K358-Y430 HydrophobicContact CD-CE2 3.65Å; K358-Y430 WeakPolarHBondContact CE-OH 3.48Å; K358-Y430 HydrophobicContact CG-CD2 4.17Å; K358-Y430 HydrophobicContact CG-CE1 4.49Å; K358-Y430 HydrophobicContact CG-CE2 3.55Å
431	R	93.7	Very high	94.2	Very high	45 Å²	45	16.8 Å²	16.8	17%	0.17	10%	0.099	C	C	.	.			trans	-72.2	150.9	167.1	-68.6	159.5	-72	-143.8	0.9	108.7	L29 N30 E429 E503	L29-R431 PolarHBondContact O-NH2 2.88Å; N30-R431 PolarHBondContact OD1-NH1 2.84Å; E429-R431 WeakPolarHBondContact OE1-CB 3.24Å; E429-R431 IonicContact OE1-CZ 3.76Å; E429-R431 PolarHBondContact OE1-N 3.47Å; E429-R431 IonicContact OE1-NE 3.2Å; E429-R431 PolarHBondContact OE1-NE 3.28Å; E429-R431 IonicContact OE1-NH2 2.87Å; E429-R431 PolarHBondContact OE1-NH2 3.1Å; E429-R431 IonicContact OE2-CZ 2.68Å; E429-R431 IonicContact OE2-NE 2.67Å; E429-R431 PolarHBondContact OE2-NE 3.21Å; E429-R431 IonicContact OE2-NH2 2.78Å; E429-R431 PolarHBondContact OE2-NH2 3.37Å; R431-E503 VanDerWaalsContact CD-OE1 3.27Å; R431-E503 WeakPolarHBondContact CD-OE1 3.21Å; R431-E503 IonicContact CZ-OE1 2.83Å; R431-E503 IonicContact NE-OE1 3.7Å; R431-E503 VanDerWaalsContact NH1-CD 3.33Å; R431-E503 IonicContact NH1-OE1 3.96Å; R431-E503 PolarHBondContact NH1-OE1 3.07Å
432	L	93.6	Very high	94.2	Very high	51 Å²	51	16.5 Å²	16.5	27%	0.267	10%	0.097	S	C	.	.			trans	-117.8	153.7	-172.2	-52.5	174.4	0	0	0	110.1	M354 T396 K400 H403	M354-L432 HydrophobicContact CE-CD1 4.3Å; M354-L432 HydrophobicContact CE-CD2 4.13Å; M354-L432 HydrophobicContact CE-CG 4.38Å; T396-L432 HydrophobicContact CG2-CB 3.89Å; T396-L432 HydrophobicContact CG2-CD1 3.87Å; K400-L432 HydrophobicContact CB-CD1 3.79Å; K400-L432 HydrophobicContact CG-CD1 4.3Å; H403-L432 WeakPolarHBondContact CD2-CD2 3.44Å
433	G	90.1	Very high	94.2	Very high	29 Å²	29	19.8 Å²	19.8	30%	0.299	11%	0.112	S	C	.	.	S	Bend	trans	73.6	29.9	176.9	0	0	0	0	0	113.9	K507	G433-K507 WeakPolarHBondContact O-CG 3.33Å
434	T	94.7	Very high	94.2	Very high	14 Å²	14	19.7 Å²	19.7	9%	0.086	11%	0.112	C	C	.	.			trans	-132.7	143.8	169	70.5	0	0	0	0	109	T425 G436 T501 S505 L506 K507	T425-T434 VanDerWaalsContact CG2-O 3.26Å; T425-T434 WeakPolarHBondContact CG2-O 3.25Å; T434-G436 VanDerWaalsContact C-N 3.3Å; T434-T501 HydrophobicContact CG2-CG2 3.71Å; T434-S505 WeakPolarHBondContact CB-OG 3.42Å; T434-S505 PolarHBondContact OG1-OG 3.41Å; T434-L506 CarbonylContact C-O 3.55Å; T434-K507 HydrophobicContact CG2-CB 4.36Å
435	V	95.4	Very high	94.3	Very high	19 Å²	19	19.3 Å²	19.3	12%	0.115	11%	0.109	C	C	.	.			trans	-89.6	2.1	175.4	-62.9	0	0	0	0	112.7	Y413 A423 I424 T425 L506 I508	Y413-V435 HydrophobicContact CD1-CG2 4.31Å; Y413-V435 HydrophobicContact CG-CG2 4.15Å; A423-V435 CarbonylContact C-O 3.6Å; A423-V435 HydrophobicContact CB-CB 4.48Å; A423-V435 HydrophobicContact CB-CG2 3.94Å; I424-V435 CarbonylContact C-O 3.54Å; I424-V435 WeakPolarHBondContact CA-O 3.44Å; I424-V435 PolarHBondContact N-O 2.84Å; T425-V435 PolarHBondContact N-O 2.86Å; V435-L506 HydrophobicContact CG2-CB 4.07Å; V435-L506 HydrophobicContact CG2-CD2 4.17Å; V435-L506 HydrophobicContact CG2-CG 3.98Å; V435-L506 VanDerWaalsContact CG2-O 3.27Å; V435-L506 WeakPolarHBondContact CG2-O 3.48Å; V435-L506 PolarHBondContact N-O 3.13Å; V435-I508 HydrophobicContact CG1-CG1 3.9Å; V435-I508 HydrophobicContact CG2-CD1 3.92Å; V435-I508 HydrophobicContact CG2-CG1 3.91Å
436	G	95	Very high	94.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	98.4	-152	158.3	0	0	0	0	0	115.9	T434 S505 L506	T434-G436 VanDerWaalsContact C-N 3.3Å; G436-S505 WeakPolarHBondContact CA-OG 3.31Å; G436-S505 PolarHBondContact N-OG 3.34Å; G436-S505 WeakPolarHBondContact O-CA 3.3Å; G436-S505 PolarHBondContact O-OG 2.59Å; G436-L506 PolarHBondContact N-O 2.88Å; G436-L506 PolarHBondContact O-N 3.01Å
437	S	96.7	Very high	94.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	148.1	179.5	175.7	0	0	0	0	111.4	Q32 A423 I424 A439	Q32-S437 WeakPolarHBondContact O-CA 3.19Å; Q32-S437 WeakPolarHBondContact O-CB 3.4Å; Q32-S437 PolarHBondContact O-OG 3.44Å; Q32-S437 VanDerWaalsContact OE1-N 3.16Å; A423-S437 CarbonylContact C-O 3.54Å; A423-S437 WeakPolarHBondContact CA-O 3.48Å; I424-S437 PolarHBondContact N-O 3.39Å; I424-S437 PolarHBondContact O-N 2.73Å; S437-A439 PolarHBondContact O-N 3.1Å
438	L	96.7	Very high	94.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	134.4	166.1	-71.5	-175.9	0	0	0	110.2	Q32 R43 S45 I422 V444 W500	Q32-L438 PolarHBondContact O-N 2.89Å; R43-L438 HydrophobicContact CB-CD1 3.84Å; R43-L438 VanDerWaalsContact O-CD1 3.27Å; R43-L438 WeakPolarHBondContact O-CD1 3.49Å; S45-L438 VanDerWaalsContact CB-O 3.29Å; S45-L438 WeakPolarHBondContact CB-O 3.44Å; S45-L438 PolarHBondContact OG-O 2.99Å; I422-L438 HydrophobicContact CG2-CD2 4.48Å; L438-V444 HydrophobicContact CD1-CB 3.98Å; L438-V444 HydrophobicContact CD1-CG2 4.1Å; L438-V444 HydrophobicContact CD2-CB 3.92Å; L438-V444 HydrophobicContact CD2-CG1 4.5Å; L438-V444 HydrophobicContact CD2-CG2 3.47Å; L438-V444 VanDerWaalsContact CD2-CG2 3.47Å; L438-V444 HydrophobicContact CG-CG2 4.42Å; L438-W500 HydrophobicContact CD1-CH2 3.87Å; L438-W500 HydrophobicContact CD2-CH2 3.95Å; L438-W500 HydrophobicContact CD2-CZ3 4.42Å; L438-W500 HydrophobicContact CG-CH2 3.98Å; L438-W500 HydrophobicContact CG-CZ3 4.28Å
439	A	94.6	Very high	95	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-59.7	146.9	171.1	0	0	0	0	0	110.7	S45 I422 S437 I442 R470	S45-A439 WeakPolarHBondContact CB-O 3.48Å; I422-A439 WeakPolarHBondContact O-CB 3.48Å; I422-A439 PolarHBondContact O-N 3.05Å; S437-A439 PolarHBondContact O-N 3.1Å; A439-I442 HydrophobicContact CB-CD1 4.25Å; A439-I442 HydrophobicContact CB-CG1 4.32Å; A439-I442 WeakPolarHBondContact O-CG1 3.13Å; A439-R470 VanDerWaalsContact CB-NH1 3.25Å
440	H	92.5	Very high	94.8	Very high	34 Å²	34	33.6 Å²	33.6	16%	0.157	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	160.4	172.6	-177.5	78.1	0	0	0	111.4	F47 E258 I442 R470	F47-H440 PolarHBondContact O-ND1 3.33Å; E258-H440 HydrophobicContact CB-CB 4.1Å; E258-H440 HydrophobicContact CG-CB 4.15Å; H440-I442 VanDerWaalsContact C-N 3.26Å; H440-I442 PolarHBondContact O-N 3.47Å; H440-R470 PolarHBondContact O-NH2 2.75Å
441	G	91.4	Very high	94.4	Very high	35 Å²	35	38 Å²	38	36%	0.361	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	2.5	171.9	0	0	0	0	0	117.4
442	I	95.3	Very high	93.9	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	161	177.4	61.7	160.1	0	0	0	113	K44 I422 A439 H440 V444 V466 K467 R470	K44-I442 WeakPolarHBondContact CB-O 3.3Å; I422-I442 HydrophobicContact CB-CD1 4.43Å; I422-I442 HydrophobicContact CG2-CD1 4.12Å; I422-I442 WeakPolarHBondContact O-CD1 3.44Å; A439-I442 HydrophobicContact CB-CD1 4.25Å; A439-I442 HydrophobicContact CB-CG1 4.32Å; A439-I442 WeakPolarHBondContact O-CG1 3.13Å; H440-I442 VanDerWaalsContact C-N 3.26Å; H440-I442 PolarHBondContact O-N 3.47Å; I442-V444 HydrophobicContact CD1-CG2 4.19Å; I442-V466 HydrophobicContact CB-CG1 4.42Å; I442-V466 HydrophobicContact CD1-CG1 3.89Å; I442-K467 WeakPolarHBondContact CA-O 3.07Å; I442-R470 HydrophobicContact CG2-CB 3.99Å
443	E	97.3	Very high	93.6	Very high	70 Å²	70	36.2 Å²	36.2	33%	0.327	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	147.2	172.2	-56.9	-175.1	161.9	0	0	109.2	R43 K44 K467 W491	R43-E443 CarbonylContact O-C 3.58Å; R43-E443 WeakPolarHBondContact O-CA 3.34Å; K44-E443 HydrophobicContact CB-CG 4.28Å; E443-K467 PolarHBondContact N-O 3.37Å; E443-K467 PolarHBondContact O-N 3.45Å; E443-W491 HydrophobicContact CB-CH2 4.17Å; E443-W491 HydrophobicContact CB-CZ3 4.26Å
444	V	98.3	Very high	93.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122.9	179.5	179.7	0	0	0	0	109.5	A42 R43 I422 L438 I442 I464 C465 V466 W500	A42-V444 WeakPolarHBondContact CA-O 3.28Å; R43-V444 PolarHBondContact N-O 3.18Å; R43-V444 PolarHBondContact O-N 2.9Å; I422-V444 HydrophobicContact CG2-CG2 3.88Å; L438-V444 HydrophobicContact CD1-CB 3.98Å; L438-V444 HydrophobicContact CD1-CG2 4.1Å; L438-V444 HydrophobicContact CD2-CB 3.92Å; L438-V444 HydrophobicContact CD2-CG1 4.5Å; L438-V444 HydrophobicContact CD2-CG2 3.47Å; L438-V444 VanDerWaalsContact CD2-CG2 3.47Å; L438-V444 HydrophobicContact CG-CG2 4.42Å; I442-V444 HydrophobicContact CD1-CG2 4.19Å; V444-I464 HydrophobicContact CG1-CG2 3.74Å; V444-C465 WeakPolarHBondContact CA-O 3.41Å; V444-V466 HydrophobicContact CG2-CG1 4.18Å; V444-V466 HydrophobicContact CG2-CG2 4.12Å; V444-W500 HydrophobicContact CB-CH2 4.45Å; V444-W500 HydrophobicContact CG1-CH2 4.32Å; V444-W500 HydrophobicContact CG1-CZ2 4.21Å
445	K	97.5	Very high	93.5	Very high	19 Å²	19	37.8 Å²	37.8	8%	0.083	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.3	166.8	70	-178.6	178	-172.9	0	109.4	A42 V447 C465 D487 E489 W491	A42-K445 HydrophobicContact CB-CB 4.11Å; K445-V447 HydrophobicContact CD-CG2 3.9Å; K445-V447 HydrophobicContact CG-CG2 3.9Å; K445-C465 HydrophobicContact CD-CB 4.38Å; K445-C465 HydrophobicContact CG-CB 3.71Å; K445-C465 PolarHBondContact N-O 3.25Å; K445-C465 PolarHBondContact O-N 3.15Å; K445-D487 IonicContact NZ-OD2 2.79Å; K445-D487 PolarHBondContact NZ-OD2 3.32Å; K445-E489 IonicContact NZ-OE2 2.72Å; K445-W491 HydrophobicContact CB-CE3 4.44Å; K445-W491 HydrophobicContact CB-CH2 4.12Å; K445-W491 HydrophobicContact CB-CZ3 4.04Å; K445-W491 HydrophobicContact CD-CD2 3.67Å; K445-W491 HydrophobicContact CD-CE3 3.98Å; K445-W491 HydrophobicContact CD-CG 4.16Å; K445-W491 HydrophobicContact CD-CH2 4.27Å; K445-W491 HydrophobicContact CD-CZ2 3.93Å; K445-W491 HydrophobicContact CD-CZ3 4.28Å; K445-W491 VanDerWaalsContact CE-CD2 3.43Å; K445-W491 HydrophobicContact CG-CD2 4Å; K445-W491 HydrophobicContact CG-CE3 3.75Å; K445-W491 HydrophobicContact CG-CH2 4.18Å; K445-W491 HydrophobicContact CG-CZ2 4.36Å; K445-W491 HydrophobicContact CG-CZ3 3.86Å; K445-W491 VanDerWaalsContact NZ-CG 3.35Å; K445-W491 VanDerWaalsContact NZ-NE1 3.18Å
446	L	98.2	Very high	93.4	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	140.4	160.2	-63.2	-177.7	0	0	0	107.6	A456 Q460 E463 I464 W500	L446-A456 HydrophobicContact CB-CB 3.89Å; L446-A456 VanDerWaalsContact O-CB 3.25Å; L446-A456 WeakPolarHBondContact O-CB 3.49Å; L446-Q460 VanDerWaalsContact CD1-O 3.31Å; L446-Q460 WeakPolarHBondContact CD1-O 3.19Å; L446-E463 CarbonylContact C-O 3.6Å; L446-E463 VanDerWaalsContact CA-O 3.25Å; L446-E463 WeakPolarHBondContact CA-O 3.3Å; L446-I464 HydrophobicContact CD2-CB 4.42Å; L446-I464 HydrophobicContact CD2-CG1 3.8Å; L446-W500 VanDerWaalsContact CD1-CD1 3.43Å; L446-W500 HydrophobicContact CD1-CG 4.22Å; L446-W500 VanDerWaalsContact CD1-NE1 3.35Å; L446-W500 HydrophobicContact CG-CZ2 4.48Å
447	V	96.8	Very high	93.3	Very high	42 Å²	42	41.5 Å²	41.5	26%	0.255	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.4	-177.5	179.2	0	0	0	0	111.1	K445 V449 G462 E463 C465	K445-V447 HydrophobicContact CD-CG2 3.9Å; K445-V447 HydrophobicContact CG-CG2 3.9Å; V447-V449 PolarHBondContact O-N 3.39Å; V447-G462 CarbonylContact O-C 3.57Å; V447-G462 WeakPolarHBondContact O-CA 3.32Å; V447-E463 HydrophobicContact CB-CB 4.46Å; V447-E463 PolarHBondContact N-O 2.93Å; V447-E463 PolarHBondContact O-N 2.91Å; V447-C465 HydrophobicContact CG2-CB 4.03Å; V447-C465 WeakPolarHBondContact CG2-SG 3.45Å
448	D	96.6	Very high	93.1	Very high	82 Å²	82	48.9 Å²	48.9	44%	0.439	26%	0.257	S	S	.	.			trans	-54.1	132	178.1	-59.4	-21.3	0	0	0	111.9	L454 A456	D448-L454 WeakPolarHBondContact CA-O 3.37Å; D448-A456 PolarHBondContact OD1-N 2.89Å
449	V	93.3	Very high	92.9	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.079	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-112.1	88.5	174.5	-169.9	0	0	0	0	108.3	V447 D451 L452 G453 L454 E463 I497 L512	V447-V449 PolarHBondContact O-N 3.39Å; V449-D451 VanDerWaalsContact C-N 3.31Å; V449-D451 PolarHBondContact O-N 2.99Å; V449-L452 HydrophobicContact CB-CB 4.18Å; V449-L452 HydrophobicContact CB-CD1 4.28Å; V449-L452 HydrophobicContact CB-CG 4.34Å; V449-L452 HydrophobicContact CG1-CB 3.95Å; V449-L452 HydrophobicContact CG1-CD1 3.75Å; V449-L452 HydrophobicContact CG1-CG 3.64Å; V449-L452 CarbonylContact O-C 3.5Å; V449-L452 WeakPolarHBondContact O-CA 3.36Å; V449-L452 PolarHBondContact O-N 2.96Å; V449-G453 PolarHBondContact O-N 2.88Å; V449-L454 HydrophobicContact CB-CB 4.25Å; V449-L454 HydrophobicContact CB-CD1 4.38Å; V449-L454 PolarHBondContact N-O 3.46Å; V449-L454 PolarHBondContact O-N 2.98Å; V449-L454 VanDerWaalsContact O-N 3.09Å; V449-E463 HydrophobicContact CG2-CB 4.34Å; V449-I497 HydrophobicContact CG2-CD1 3.87Å; V449-L512 HydrophobicContact CB-CD1 4.46Å; V449-L512 HydrophobicContact CG1-CD1 3.46Å; V449-L512 VanDerWaalsContact CG1-CD1 3.46Å; V449-L512 HydrophobicContact CG2-CD1 4.11Å
450	K	89.7	Confident	92.9	Very high	177 Å²	177	55.1 Å²	55.1	77%	0.77	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-59.3	-37.7	-170.4	-65.2	179.4	-177.8	174.5	0	113.3	L452 G453	K450-L452 PolarHBondContact O-N 3.46Å; K450-G453 WeakPolarHBondContact O-CA 3.47Å; K450-G453 PolarHBondContact O-N 3.22Å
451	D	85.5	Confident	93	Very high	150 Å²	150	57.7 Å²	57.7	80%	0.802	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-67.9	-26	177.3	-57.2	-32.5	0	0	0	112.5	V449	V449-D451 VanDerWaalsContact C-N 3.31Å; V449-D451 PolarHBondContact O-N 2.99Å
452	L	83.2	Confident	93.3	Very high	17 Å²	17	56 Å²	56	9%	0.089	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-92.6	0.9	170.1	-55.4	-177.8	0	0	0	112.7	V449 K450 L454 I515 Y523	V449-L452 HydrophobicContact CB-CB 4.18Å; V449-L452 HydrophobicContact CB-CD1 4.28Å; V449-L452 HydrophobicContact CB-CG 4.34Å; V449-L452 HydrophobicContact CG1-CB 3.95Å; V449-L452 HydrophobicContact CG1-CD1 3.75Å; V449-L452 HydrophobicContact CG1-CG 3.64Å; V449-L452 CarbonylContact O-C 3.5Å; V449-L452 WeakPolarHBondContact O-CA 3.36Å; V449-L452 PolarHBondContact O-N 2.96Å; K450-L452 PolarHBondContact O-N 3.46Å; L452-L454 HydrophobicContact CB-CD1 4.01Å; L452-L454 HydrophobicContact CB-CG 3.88Å; L452-L454 HydrophobicContact CD1-CD1 4.03Å; L452-L454 PolarHBondContact O-N 3.47Å; L452-L454 VanDerWaalsContact O-N 3.11Å; L452-I515 HydrophobicContact CD1-CB 4.15Å; L452-I515 HydrophobicContact CD1-CD1 4.17Å; L452-I515 HydrophobicContact CD1-CG2 3.98Å; L452-I515 HydrophobicContact CD2-CB 4.42Å; L452-I515 HydrophobicContact CD2-CG2 3.85Å; L452-Y523 VanDerWaalsContact C-CZ 3.47Å; L452-Y523 WeakPolarHBondContact CA-OH 3.32Å; L452-Y523 HydrophobicContact CB-CE1 4.08Å; L452-Y523 HydrophobicContact CD2-CD1 3.63Å; L452-Y523 HydrophobicContact CD2-CE1 3.59Å; L452-Y523 HydrophobicContact CG-CE1 4.45Å; L452-Y523 WeakPolarHBondContact O-CE2 3.34Å; L452-Y523 PolarHBondContact O-OH 3.09Å
453	G	86.2	Confident	93.4	Very high	41 Å²	41	56.8 Å²	56.8	42%	0.423	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	13.1	-175.8	0	0	0	0	0	115	V449 K450 R458	V449-G453 PolarHBondContact O-N 2.88Å; K450-G453 WeakPolarHBondContact O-CA 3.47Å; K450-G453 PolarHBondContact O-N 3.22Å; G453-R458 PolarHBondContact O-NH2 2.66Å
454	L	89	Confident	93.4	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.11	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-77.9	125.3	-177.7	-66.4	177	0	0	0	110.1	D448 V449 L452 D459 R461 I497	D448-L454 WeakPolarHBondContact CA-O 3.37Å; V449-L454 HydrophobicContact CB-CB 4.25Å; V449-L454 HydrophobicContact CB-CD1 4.38Å; V449-L454 PolarHBondContact N-O 3.46Å; V449-L454 PolarHBondContact O-N 2.98Å; V449-L454 VanDerWaalsContact O-N 3.09Å; L452-L454 HydrophobicContact CB-CD1 4.01Å; L452-L454 HydrophobicContact CB-CG 3.88Å; L452-L454 HydrophobicContact CD1-CD1 4.03Å; L452-L454 PolarHBondContact O-N 3.47Å; L452-L454 VanDerWaalsContact O-N 3.11Å; L454-D459 WeakPolarHBondContact CA-OD2 3.47Å; L454-R461 HydrophobicContact CD1-CG 4.38Å; L454-I497 HydrophobicContact CD1-CG2 4.43Å
455	D	93.4	Very high	93.4	Very high	54 Å²	54	53.4 Å²	53.4	29%	0.289	27%	0.267	S	S	.	.			trans	-106.9	115.2	171.7	171	-36.4	0	0	0	106.9	L457 R458 D459	D455-L457 PolarHBondContact O-N 3.47Å; D455-L457 PolarHBondContact OD1-N 2.97Å; D455-L457 VanDerWaalsContact OD1-N 3.12Å; D455-R458 HydrophobicContact CB-CB 3.83Å; D455-R458 VanDerWaalsContact CB-CZ 3.45Å; D455-R458 PolarHBondContact O-N 3.21Å; D455-R458 VanDerWaalsContact OD1-CB 3.31Å; D455-R458 WeakPolarHBondContact OD1-CB 3.4Å; D455-R458 PolarHBondContact OD1-N 2.89Å; D455-R458 IonicContact OD2-NH1 3.74Å; D455-D459 PolarHBondContact N-OD2 2.85Å; D455-D459 VanDerWaalsContact O-CB 3.31Å; D455-D459 WeakPolarHBondContact O-CB 3.36Å; D455-D459 PolarHBondContact O-N 2.69Å
456	A	94.5	Very high	93.5	Very high	6 Å²	6	52.6 Å²	52.6	5%	0.05	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.8	-167.4	0	0	0	0	0	113.3	L446 D448 Q460 R461	L446-A456 HydrophobicContact CB-CB 3.89Å; L446-A456 VanDerWaalsContact O-CB 3.25Å; L446-A456 WeakPolarHBondContact O-CB 3.49Å; D448-A456 PolarHBondContact OD1-N 2.89Å; A456-Q460 WeakPolarHBondContact O-CA 3.31Å; A456-Q460 PolarHBondContact O-N 3.17Å; A456-R461 WeakPolarHBondContact CA-O 3.41Å
457	L	92.5	Very high	93.4	Very high	91 Å²	91	55.5 Å²	55.5	48%	0.476	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-46.3	177.4	-63.8	179.1	0	0	0	111	D455 Q460	D455-L457 PolarHBondContact O-N 3.47Å; D455-L457 PolarHBondContact OD1-N 2.97Å; D455-L457 VanDerWaalsContact OD1-N 3.12Å; L457-Q460 PolarHBondContact O-NE2 3.23Å
458	R	92.6	Very high	93.3	Very high	156 Å²	156	54.9 Å²	54.9	59%	0.589	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-49.8	179.1	-177.2	-169.6	73.1	-142.7	1.5	112.4	G453 D455	G453-R458 PolarHBondContact O-NH2 2.66Å; D455-R458 HydrophobicContact CB-CB 3.83Å; D455-R458 VanDerWaalsContact CB-CZ 3.45Å; D455-R458 PolarHBondContact O-N 3.21Å; D455-R458 VanDerWaalsContact OD1-CB 3.31Å; D455-R458 WeakPolarHBondContact OD1-CB 3.4Å; D455-R458 PolarHBondContact OD1-N 2.89Å; D455-R458 IonicContact OD2-NH1 3.74Å
459	D	92.7	Very high	93	Very high	60 Å²	60	55.5 Å²	55.5	32%	0.321	28%	0.277	S	S	.	.	S	Bend	trans	-91.7	-8.9	-171.6	-55.2	-32.7	0	0	0	112.5	L454 D455 R461	L454-D459 WeakPolarHBondContact CA-OD2 3.47Å; D455-D459 PolarHBondContact N-OD2 2.85Å; D455-D459 VanDerWaalsContact O-CB 3.31Å; D455-D459 WeakPolarHBondContact O-CB 3.36Å; D455-D459 PolarHBondContact O-N 2.69Å; D459-R461 HydrophobicContact CB-CB 4.34Å; D459-R461 PolarHBondContact O-N 3.36Å; D459-R461 VanDerWaalsContact O-N 3.14Å
460	Q	94.8	Very high	92.9	Very high	73 Å²	73	55 Å²	55	34%	0.341	27%	0.273	S	S	.	.	S	Bend	trans	52.1	27.3	-169.4	-66.2	-68.4	-72.9	0	0	113.1	L446 A456 L457 E499 W500	L446-Q460 VanDerWaalsContact CD1-O 3.31Å; L446-Q460 WeakPolarHBondContact CD1-O 3.19Å; A456-Q460 WeakPolarHBondContact O-CA 3.31Å; A456-Q460 PolarHBondContact O-N 3.17Å; L457-Q460 PolarHBondContact O-NE2 3.23Å; Q460-E499 WeakPolarHBondContact O-CA 3.43Å; Q460-W500 HydrophobicContact CB-CB 4.38Å; Q460-W500 PolarHBondContact O-N 3.48Å
461	R	94.8	Very high	93.2	Very high	89 Å²	89	47 Å²	47	34%	0.336	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	133.5	-175.1	-170.4	-166.9	-69.3	168.6	0.9	111.3	L454 A456 D459 I497 G498 E499 V509	L454-R461 HydrophobicContact CD1-CG 4.38Å; A456-R461 WeakPolarHBondContact CA-O 3.41Å; D459-R461 HydrophobicContact CB-CB 4.34Å; D459-R461 PolarHBondContact O-N 3.36Å; D459-R461 VanDerWaalsContact O-N 3.14Å; R461-I497 HydrophobicContact CG-CG2 3.85Å; R461-G498 WeakPolarHBondContact CA-O 3.29Å; R461-G498 WeakPolarHBondContact CG-O 3.3Å; R461-E499 HydrophobicContact CG-CB 4.33Å; R461-E499 IonicContact CZ-OE2 2.77Å; R461-E499 VanDerWaalsContact CZ-OE2 3.26Å; R461-E499 IonicContact NE-OE2 3.33Å; R461-E499 PolarHBondContact NE-OE2 2.88Å; R461-E499 IonicContact NH2-OE2 2.64Å; R461-E499 PolarHBondContact NH2-OE2 3.23Å; R461-V509 HydrophobicContact CG-CG2 4.29Å
462	G	96.4	Very high	93.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-172.6	-179.4	0	0	0	0	0	112.2	V447 I497 G498	V447-G462 CarbonylContact O-C 3.57Å; V447-G462 WeakPolarHBondContact O-CA 3.32Å; G462-I497 WeakPolarHBondContact O-CA 3.2Å; G462-G498 PolarHBondContact N-O 3.44Å; G462-G498 VanDerWaalsContact N-O 3.12Å; G462-G498 PolarHBondContact O-N 3.36Å
463	E	97.5	Very high	94.1	Very high	21 Å²	21	45.5 Å²	45.5	10%	0.098	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.1	171.6	-171.8	-171.3	-173.2	0	0	110.2	L446 V447 V449 C465 H493 T494 G495 D496 I497 L512	L446-E463 CarbonylContact C-O 3.6Å; L446-E463 VanDerWaalsContact CA-O 3.25Å; L446-E463 WeakPolarHBondContact CA-O 3.3Å; V447-E463 HydrophobicContact CB-CB 4.46Å; V447-E463 PolarHBondContact N-O 2.93Å; V447-E463 PolarHBondContact O-N 2.91Å; V449-E463 HydrophobicContact CG2-CB 4.34Å; E463-C465 PolarHBondContact O-N 2.7Å; E463-H493 WeakPolarHBondContact OE1-CB 3.46Å; E463-H493 IonicContact OE1-CG 2.77Å; E463-H493 IonicContact OE1-ND1 2.8Å; E463-H493 IonicContact OE2-CE1 3.7Å; E463-H493 IonicContact OE2-CG 3.9Å; E463-H493 IonicContact OE2-ND1 3.54Å; E463-H493 PolarHBondContact OE2-ND1 3.07Å; E463-T494 PolarHBondContact OE1-N 3.25Å; E463-G495 WeakPolarHBondContact OE1-CA 3.04Å; E463-G495 PolarHBondContact OE1-N 2.95Å; E463-D496 WeakPolarHBondContact CA-O 3.41Å; E463-I497 HydrophobicContact CB-CD1 4.31Å; E463-L512 HydrophobicContact CG-CD2 4.35Å
464	I	98.3	Very high	94.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	112.5	174.2	-58.2	161	0	0	0	109	Y413 V444 L446 V466 T494 D496 L506 I508	Y413-I464 HydrophobicContact CE1-CD1 3.91Å; Y413-I464 HydrophobicContact CE1-CG2 4.36Å; V444-I464 HydrophobicContact CG1-CG2 3.74Å; L446-I464 HydrophobicContact CD2-CB 4.42Å; L446-I464 HydrophobicContact CD2-CG1 3.8Å; I464-V466 HydrophobicContact CG2-CG2 4.01Å; I464-T494 WeakPolarHBondContact CB-OG1 3.37Å; I464-T494 HydrophobicContact CG2-CG2 4.33Å; I464-T494 WeakPolarHBondContact O-CB 3.41Å; I464-T494 VanDerWaalsContact O-CG2 3.32Å; I464-T494 WeakPolarHBondContact O-CG2 3.48Å; I464-T494 PolarHBondContact O-N 3.06Å; I464-T494 PolarHBondContact O-OG1 2.75Å; I464-D496 HydrophobicContact CD1-CB 4.13Å; I464-D496 PolarHBondContact N-O 2.87Å; I464-L506 HydrophobicContact CD1-CD1 4.31Å; I464-L506 HydrophobicContact CD1-CD2 4.23Å; I464-L506 HydrophobicContact CG1-CD1 4.39Å; I464-I508 HydrophobicContact CD1-CD1 3.48Å; I464-I508 VanDerWaalsContact CD1-CD1 3.48Å
465	C	98.4	Very high	94.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.8	173.9	-64	0	0	0	0	109.8	V444 K445 V447 E463 W491 L492 H493	V444-C465 WeakPolarHBondContact CA-O 3.41Å; K445-C465 HydrophobicContact CD-CB 4.38Å; K445-C465 HydrophobicContact CG-CB 3.71Å; K445-C465 PolarHBondContact N-O 3.25Å; K445-C465 PolarHBondContact O-N 3.15Å; V447-C465 HydrophobicContact CG2-CB 4.03Å; V447-C465 WeakPolarHBondContact CG2-SG 3.45Å; E463-C465 PolarHBondContact O-N 2.7Å; C465-W491 HydrophobicContact CB-CB 4.19Å; C465-W491 HydrophobicContact CB-CE3 4.4Å; C465-L492 CarbonylContact C-O 3.52Å; C465-L492 WeakPolarHBondContact CA-O 3.46Å; C465-H493 PolarHBondContact SG-CE1 3.15Å; C465-H493 PolarHBondContact SG-ND1 3.38Å; C465-H493 VanDerWaalsContact SG-ND1 3.39Å
466	V	98.3	Very high	94.8	Very high	1 Å²	1	41 Å²	41	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.4	-169.4	-172.1	0	0	0	0	111	I422 I442 V444 I464 L492 T494	I422-V466 HydrophobicContact CD1-CG2 3.78Å; I422-V466 HydrophobicContact CG1-CG2 4.03Å; I422-V466 HydrophobicContact CG2-CG2 3.89Å; I442-V466 HydrophobicContact CB-CG1 4.42Å; I442-V466 HydrophobicContact CD1-CG1 3.89Å; V444-V466 HydrophobicContact CG2-CG1 4.18Å; V444-V466 HydrophobicContact CG2-CG2 4.12Å; I464-V466 HydrophobicContact CG2-CG2 4.01Å; V466-L492 PolarHBondContact N-O 2.8Å; V466-L492 WeakPolarHBondContact O-CB 3.49Å; V466-L492 PolarHBondContact O-N 3.46Å; V466-T494 HydrophobicContact CG2-CG2 4.07Å
467	K	97.4	Very high	94.8	Very high	71 Å²	71	45.5 Å²	45.5	31%	0.309	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.3	177.6	-179.4	167.7	176.1	175.5	0	110.3	I442 E443 E489 G490 W491	I442-K467 WeakPolarHBondContact CA-O 3.07Å; E443-K467 PolarHBondContact N-O 3.37Å; E443-K467 PolarHBondContact O-N 3.45Å; K467-E489 WeakPolarHBondContact CE-O 3.28Å; K467-E489 PolarHBondContact NZ-O 2.93Å; K467-G490 WeakPolarHBondContact CG-O 3.07Å; K467-W491 HydrophobicContact CB-CD2 3.68Å; K467-W491 HydrophobicContact CB-CE3 3.33Å; K467-W491 HydrophobicContact CB-CG 4.31Å; K467-W491 HydrophobicContact CB-CH2 4.1Å; K467-W491 HydrophobicContact CB-CZ2 4.44Å; K467-W491 HydrophobicContact CB-CZ3 3.56Å; K467-W491 HydrophobicContact CD-CD2 3.86Å; K467-W491 HydrophobicContact CD-CE3 4.32Å; K467-W491 HydrophobicContact CD-CG 4.21Å; K467-W491 HydrophobicContact CD-CH2 4.4Å; K467-W491 HydrophobicContact CD-CZ2 4Å; K467-W491 HydrophobicContact CG-CD2 4.44Å; K467-W491 HydrophobicContact CG-CE3 4.49Å
468	G	94.7	Very high	94.8	Very high	30 Å²	30	42.7 Å²	42.7	31%	0.309	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	146.1	179.4	179.1	0	0	0	0	0	112.6	R470 C471	G468-R470 VanDerWaalsContact C-N 3.27Å; G468-R470 PolarHBondContact O-N 3.22Å; G468-C471 PolarHBondContact O-N 3.21Å
469	K	90.1	Very high	94.9	Very high	95 Å²	95	40 Å²	40	41%	0.413	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-38.1	-169.1	-175	167.5	-176.4	167.8	0	113.4	E247 Q248 C471	E247-K469 VanDerWaalsContact CD-NZ 3.34Å; E247-K469 VanDerWaalsContact OE1-CE 3.32Å; E247-K469 WeakPolarHBondContact OE1-CE 3.47Å; E247-K469 IonicContact OE1-NZ 3.85Å; E247-K469 WeakPolarHBondContact OE2-CE 3.21Å; E247-K469 IonicContact OE2-NZ 3.62Å; E247-K469 PolarHBondContact OE2-NZ 3.22Å; Q248-K469 WeakPolarHBondContact CG-O 3.49Å; K469-C471 VanDerWaalsContact C-N 3.32Å; K469-C471 PolarHBondContact O-N 2.75Å
470	R	91.8	Very high	94.9	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.008	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.9	-178.5	-159.2	175	-59.5	123.5	16.8	115	D251 A252 T418 M419 S421 A439 H440 I442 G468 T472	D251-R470 WeakPolarHBondContact OD2-CB 3.2Å; D251-R470 IonicContact OD2-CZ 2.79Å; D251-R470 IonicContact OD2-NE 3.91Å; D251-R470 PolarHBondContact OD2-NE 2.8Å; D251-R470 IonicContact OD2-NH2 3.17Å; D251-R470 PolarHBondContact OD2-NH2 3.15Å; A252-R470 HydrophobicContact CB-CG 4.26Å; T418-R470 WeakPolarHBondContact O-CD 3.18Å; T418-R470 WeakPolarHBondContact O-CG 3.36Å; M419-R470 HydrophobicContact CB-CG 3.61Å; M419-R470 WeakPolarHBondContact CE-O 3.33Å; M419-R470 HydrophobicContact CG-CG 3.63Å; M419-R470 VanDerWaalsContact CG-O 3.25Å; M419-R470 WeakPolarHBondContact CG-O 3.19Å; S421-R470 VanDerWaalsContact O-CD 3.26Å; S421-R470 WeakPolarHBondContact O-CD 3.29Å; S421-R470 PolarHBondContact O-NH1 2.7Å; A439-R470 VanDerWaalsContact CB-NH1 3.25Å; H440-R470 PolarHBondContact O-NH2 2.75Å; I442-R470 HydrophobicContact CG2-CB 3.99Å; G468-R470 VanDerWaalsContact C-N 3.27Å; G468-R470 PolarHBondContact O-N 3.22Å; R470-T472 PolarHBondContact O-N 3.41Å
471	C	95.7	Very high	94.8	Very high	9 Å²	9	44.9 Å²	44.9	6%	0.061	22%	0.215	C	C	.	.	S	Bend	trans	-63.8	136.4	-174.8	-60.1	0	0	0	0	110.3	Q248 G468 K469 L492	Q248-C471 PolarHBondContact NE2-O 2.71Å; G468-C471 PolarHBondContact O-N 3.21Å; K469-C471 VanDerWaalsContact C-N 3.32Å; K469-C471 PolarHBondContact O-N 2.75Å; C471-L492 HydrophobicContact CB-CB 4.42Å; C471-L492 HydrophobicContact CB-CD1 3.86Å
472	T	95.6	Very high	94.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	21%	0.205	C	C	.	.			trans	-55	160.8	175.7	-173.7	0	0	0	0	111.6	V242 M243 E417 R470 G474 L485 I486 L492	V242-T472 HydrophobicContact CG1-CG2 4.17Å; M243-T472 PolarHBondContact O-OG1 2.96Å; E417-T472 HydrophobicContact CB-CG2 3.79Å; E417-T472 HydrophobicContact CG-CG2 4.32Å; E417-T472 WeakPolarHBondContact O-CB 3.45Å; E417-T472 WeakPolarHBondContact O-CG2 3.42Å; E417-T472 PolarHBondContact O-N 2.99Å; R470-T472 PolarHBondContact O-N 3.41Å; T472-G474 VanDerWaalsContact C-N 3.35Å; T472-G474 PolarHBondContact OG1-N 3.23Å; T472-G474 PolarHBondContact OG1-O 2.83Å; T472-L485 HydrophobicContact CG2-CD2 3.73Å; T472-I486 WeakPolarHBondContact O-CD1 3.49Å; T472-L492 HydrophobicContact CG2-CD1 4.2Å
473	K	92.4	Very high	94.8	Very high	133 Å²	133	45 Å²	45	58%	0.578	24%	0.235	S	C	*	.			trans	-91.6	-0.2	171.2	-55.1	-49.9	-179.9	-163.2	0	113
474	G	94.6	Very high	94.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.264	C	S	.	.			trans	135.3	-171.9	176.1	0	0	0	0	0	112.7	M243 T472 S482	M243-G474 WeakPolarHBondContact CE-O 3.18Å; M243-G474 PolarHBondContact N-O 3.24Å; M243-G474 VanDerWaalsContact N-O 3.15Å; T472-G474 VanDerWaalsContact C-N 3.35Å; T472-G474 PolarHBondContact OG1-N 3.23Å; T472-G474 PolarHBondContact OG1-O 2.83Å; G474-S482 WeakPolarHBondContact CA-OG 3.49Å
475	Y	95.2	Very high	94.5	Very high	15 Å²	15	52 Å²	52	6%	0.059	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-91.5	136.3	173.1	-53.1	-73.6	0	0	0	110.4	K240 G241 V242 E417 K477 E478 K481 S482 L485	K240-Y475 HydrophobicContact CB-CD1 3.5Å; K240-Y475 VanDerWaalsContact CB-CD1 3.5Å; K240-Y475 HydrophobicContact CB-CE1 3.86Å; K240-Y475 HydrophobicContact CB-CG 4.07Å; K240-Y475 HydrophobicContact CD-CD1 4.04Å; K240-Y475 HydrophobicContact CD-CD2 4.33Å; K240-Y475 HydrophobicContact CD-CE1 3.78Å; K240-Y475 HydrophobicContact CD-CE2 4.11Å; K240-Y475 HydrophobicContact CD-CG 4.3Å; K240-Y475 HydrophobicContact CG-CD1 4.33Å; K240-Y475 HydrophobicContact CG-CE1 4.46Å; K240-Y475 VanDerWaalsContact NZ-CZ 3.25Å; K240-Y475 PolarHBondContact NZ-OH 3.17Å; G241-Y475 CarbonylContact O-C 3.26Å; G241-Y475 WeakPolarHBondContact O-CA 3.23Å; V242-Y475 HydrophobicContact CG2-CD1 4.01Å; V242-Y475 HydrophobicContact CG2-CE1 3.9Å; E417-Y475 HydrophobicContact CG-CE1 3.86Å; Y475-K477 PolarHBondContact O-N 2.95Å; Y475-E478 PolarHBondContact O-N 3.23Å; Y475-K481 HydrophobicContact CD2-CB 3.81Å; Y475-K481 WeakPolarHBondContact CD2-O 3.36Å; Y475-K481 HydrophobicContact CE2-CB 4.19Å; Y475-K481 VanDerWaalsContact CE2-O 3.27Å; Y475-K481 WeakPolarHBondContact CE2-O 3.47Å; Y475-S482 PolarHBondContact N-OG 3.44Å; Y475-S482 PolarHBondContact O-OG 2.81Å; Y475-L485 HydrophobicContact CD2-CD2 4.5Å; Y475-L485 HydrophobicContact CE1-CD2 4.49Å; Y475-L485 HydrophobicContact CE2-CB 3.96Å; Y475-L485 HydrophobicContact CE2-CD2 3.76Å; Y475-L485 HydrophobicContact CE2-CG 4.31Å
476	Y	93.3	Very high	94.5	Very high	7 Å²	7	54 Å²	54	3%	0.027	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	126	-179.9	171.8	-109.1	0	0	0	111.3	E117 F119 Q162 T163 V229 G241 E478	E117-Y476 HydrophobicContact CG-CE2 4.28Å; E117-Y476 WeakPolarHBondContact OE1-CE2 3.46Å; E117-Y476 PolarHBondContact OE1-OH 3.18Å; E117-Y476 PolarHBondContact OE2-OH 2.79Å; F119-Y476 HydrophobicContact CE2-CE1 4.41Å; F119-Y476 HydrophobicContact CE2-CE2 4.26Å; F119-Y476 AromaticContact CE2-CZ 3.73Å; F119-Y476 WeakPolarHBondContact CE2-OH 3.43Å; F119-Y476 HydrophobicContact CZ-CD2 4.41Å; F119-Y476 HydrophobicContact CZ-CE1 4.13Å; F119-Y476 AromaticContact CZ-CE2 3.66Å; F119-Y476 HydrophobicContact CZ-CE2 3.66Å; F119-Y476 AromaticContact CZ-CZ 3.48Å; F119-Y476 VanDerWaalsContact CZ-CZ 3.48Å; F119-Y476 WeakPolarHBondContact CZ-OH 3.28Å; Q162-Y476 HydrophobicContact CG-CD1 4.09Å; Q162-Y476 HydrophobicContact CG-CE1 3.93Å; Q162-Y476 WeakPolarHBondContact O-CE1 3.36Å; Q162-Y476 PolarHBondContact O-OH 2.8Å; T163-Y476 HydrophobicContact CG2-CE1 4Å; V229-Y476 HydrophobicContact CG1-CD1 4.26Å; V229-Y476 HydrophobicContact CG1-CG 4.24Å; V229-Y476 HydrophobicContact CG2-CD2 4.42Å; V229-Y476 HydrophobicContact CG2-CG 4.25Å; G241-Y476 WeakPolarHBondContact O-CB 3.2Å; G241-Y476 PolarHBondContact O-N 3Å; Y476-E478 WeakPolarHBondContact O-CG 3.35Å; Y476-E478 PolarHBondContact O-N 2.93Å; Y476-E478 VanDerWaalsContact O-N 3.13Å
477	K	93	Very high	94.4	Very high	101 Å²	101	55.9 Å²	55.9	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	24.3	-175.5	-68	178.1	178.7	162.5	0	115	E117 Q162 Y475	E117-K477 WeakPolarHBondContact OE1-CE 3.29Å; E117-K477 IonicContact OE1-NZ 2.78Å; E117-K477 VanDerWaalsContact OE2-CE 3.3Å; E117-K477 WeakPolarHBondContact OE2-CE 3.34Å; E117-K477 IonicContact OE2-NZ 3.55Å; E117-K477 PolarHBondContact OE2-NZ 2.63Å; Q162-K477 HydrophobicContact CG-CB 4.25Å; Q162-K477 HydrophobicContact CG-CD 4.35Å; Q162-K477 PolarHBondContact O-NZ 3.22Å; Q162-K477 VanDerWaalsContact O-NZ 3.15Å; Y475-K477 PolarHBondContact O-N 2.95Å
478	E	93.2	Very high	94.3	Very high	31 Å²	31	59 Å²	59	15%	0.145	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-133.8	66.2	-172	-76.3	-90.4	-143.6	0	0	110.6	Y475 Y476 K481 S482	Y475-E478 PolarHBondContact O-N 3.23Å; Y476-E478 WeakPolarHBondContact O-CG 3.35Å; Y476-E478 PolarHBondContact O-N 2.93Å; Y476-E478 VanDerWaalsContact O-N 3.13Å; E478-K481 IonicContact OE1-NZ 3.48Å; E478-K481 PolarHBondContact OE1-NZ 2.64Å; E478-K481 WeakPolarHBondContact OE2-CD 3.25Å; E478-K481 WeakPolarHBondContact OE2-CE 3.36Å; E478-K481 IonicContact OE2-NZ 3.82Å; E478-K481 PolarHBondContact OE2-NZ 3.32Å; E478-S482 WeakPolarHBondContact O-CB 3.46Å; E478-S482 PolarHBondContact O-N 2.99Å; E478-S482 VanDerWaalsContact O-N 3.14Å; E478-S482 PolarHBondContact O-OG 2.97Å
479	P	94.5	Very high	94.3	Very high	99 Å²	99	62.8 Å²	62.8	64%	0.643	33%	0.328	S	S	*	.	H	α-helix	trans	-69	-37.2	-168.7	27.2	-34.8	0	0	0	113.6	S482 A483	P479-S482 WeakPolarHBondContact O-CB 3.49Å; P479-S482 PolarHBondContact O-N 2.7Å; P479-S482 VanDerWaalsContact O-N 3.15Å; P479-A483 PolarHBondContact O-N 3.09Å
480	E	94.2	Very high	94.6	Very high	157 Å²	157	59.9 Å²	59.9	73%	0.734	33%	0.325	S	S	*	.	H	α-helix	trans	-63	-53	180	-64.7	174	173.4	0	0	110.6	S482 A483 E484	E480-S482 PolarHBondContact O-N 2.83Å; E480-S482 VanDerWaalsContact O-N 3.13Å; E480-A483 PolarHBondContact O-N 2.96Å; E480-E484 PolarHBondContact O-N 3.09Å
481	K	92.7	Very high	94.8	Very high	79 Å²	79	60.3 Å²	60.3	34%	0.343	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-23.1	174.4	-60.7	175.4	-167.7	143.5	0	112.8	K240 Y475 E478 L485	K240-K481 HydrophobicContact CD-CD 4.4Å; Y475-K481 HydrophobicContact CD2-CB 3.81Å; Y475-K481 WeakPolarHBondContact CD2-O 3.36Å; Y475-K481 HydrophobicContact CE2-CB 4.19Å; Y475-K481 VanDerWaalsContact CE2-O 3.27Å; Y475-K481 WeakPolarHBondContact CE2-O 3.47Å; E478-K481 IonicContact OE1-NZ 3.48Å; E478-K481 PolarHBondContact OE1-NZ 2.64Å; E478-K481 WeakPolarHBondContact OE2-CD 3.25Å; E478-K481 WeakPolarHBondContact OE2-CE 3.36Å; E478-K481 IonicContact OE2-NZ 3.82Å; E478-K481 PolarHBondContact OE2-NZ 3.32Å; K481-L485 WeakPolarHBondContact O-CB 3.41Å; K481-L485 PolarHBondContact O-N 2.75Å
482	S	95.3	Very high	95	Very high	18 Å²	18	60 Å²	60	13%	0.126	32%	0.324	C	S	.	.	H	α-helix	trans	-76.3	-36.8	174.5	-57.5	0	0	0	0	112.1	G474 Y475 E478 P479 E480 L485 I486	G474-S482 WeakPolarHBondContact CA-OG 3.49Å; Y475-S482 PolarHBondContact N-OG 3.44Å; Y475-S482 PolarHBondContact O-OG 2.81Å; E478-S482 WeakPolarHBondContact O-CB 3.46Å; E478-S482 PolarHBondContact O-N 2.99Å; E478-S482 VanDerWaalsContact O-N 3.14Å; E478-S482 PolarHBondContact O-OG 2.97Å; P479-S482 WeakPolarHBondContact O-CB 3.49Å; P479-S482 PolarHBondContact O-N 2.7Å; P479-S482 VanDerWaalsContact O-N 3.15Å; E480-S482 PolarHBondContact O-N 2.83Å; E480-S482 VanDerWaalsContact O-N 3.13Å; S482-L485 PolarHBondContact O-N 3.47Å; S482-I486 PolarHBondContact O-N 3.28Å
483	A	95	Very high	95.1	Very high	75 Å²	75	62.4 Å²	62.4	62%	0.62	34%	0.335	S	S	*	.	H	α-helix	trans	-74.5	-27.9	172.4	0	0	0	0	0	112.7	P479 E480 L485	P479-A483 PolarHBondContact O-N 3.09Å; E480-A483 PolarHBondContact O-N 2.96Å; A483-L485 VanDerWaalsContact C-N 3.31Å
484	E	93.9	Very high	95.2	Very high	152 Å²	152	57 Å²	57	71%	0.71	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-30.7	167.5	-68.3	179.6	165	0	0	112.7	E480	E480-E484 PolarHBondContact O-N 3.09Å
485	L	96.1	Very high	95.2	Very high	15 Å²	15	58 Å²	58	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-80.5	-35	-178.2	179.2	67.2	0	0	0	112.9	E417 T472 Y475 K481 S482 A483 L492 H493	E417-L485 HydrophobicContact CB-CD2 4.24Å; E417-L485 HydrophobicContact CG-CD1 4.46Å; E417-L485 HydrophobicContact CG-CD2 4.05Å; T472-L485 HydrophobicContact CG2-CD2 3.73Å; Y475-L485 HydrophobicContact CD2-CD2 4.5Å; Y475-L485 HydrophobicContact CE1-CD2 4.49Å; Y475-L485 HydrophobicContact CE2-CB 3.96Å; Y475-L485 HydrophobicContact CE2-CD2 3.76Å; Y475-L485 HydrophobicContact CE2-CG 4.31Å; K481-L485 WeakPolarHBondContact O-CB 3.41Å; K481-L485 PolarHBondContact O-N 2.75Å; S482-L485 PolarHBondContact O-N 3.47Å; A483-L485 VanDerWaalsContact C-N 3.31Å; L485-L492 HydrophobicContact CD1-CD2 4.12Å; L485-L492 HydrophobicContact CD1-CG 3.97Å; L485-L492 HydrophobicContact CD2-CD1 4.42Å; L485-L492 HydrophobicContact CG-CD1 4.49Å; L485-L492 HydrophobicContact CG-CG 4.06Å; L485-L492 CarbonylContact O-C 3.56Å; L485-L492 WeakPolarHBondContact O-CA 3.39Å; L485-H493 PolarHBondContact O-N 3.49Å
486	I	97.3	Very high	95.2	Very high	42 Å²	42	57.6 Å²	57.6	22%	0.215	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-128	117.9	-168.5	-51.3	178.8	0	0	0	109.9	T472 S482 W491	T472-I486 WeakPolarHBondContact O-CD1 3.49Å; S482-I486 PolarHBondContact O-N 3.28Å; I486-W491 CarbonylContact C-O 3.5Å; I486-W491 WeakPolarHBondContact CA-O 3.37Å
487	D	96.2	Very high	95.3	Very high	41 Å²	41	57.3 Å²	57.3	22%	0.219	32%	0.322	C	S	.	.			trans	-68	168.5	179.9	79.4	8.8	0	0	0	112.9	K445 E489 G490 W491 H493	K445-D487 IonicContact NZ-OD2 2.79Å; K445-D487 PolarHBondContact NZ-OD2 3.32Å; D487-E489 PolarHBondContact O-N 3.33Å; D487-E489 VanDerWaalsContact OD1-C 3.31Å; D487-E489 VanDerWaalsContact OD1-CA 3.31Å; D487-E489 WeakPolarHBondContact OD1-CA 3.25Å; D487-E489 VanDerWaalsContact OD1-CB 3.31Å; D487-E489 WeakPolarHBondContact OD1-CB 3.48Å; D487-E489 PolarHBondContact OD1-N 3.08Å; D487-G490 WeakPolarHBondContact O-CA 3.28Å; D487-G490 PolarHBondContact O-N 2.87Å; D487-G490 PolarHBondContact OD1-N 3.34Å; D487-W491 PolarHBondContact N-O 3.48Å; D487-W491 PolarHBondContact OD1-N 3.49Å; D487-H493 IonicContact OD2-NE2 3.57Å
488	S	95.2	Very high	95.4	Very high	135 Å²	135	52.5 Å²	52.5	94%	0.944	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-12.4	179	54.2	0	0	0	0	114.4
489	E	95.1	Very high	95.5	Very high	111 Å²	111	52.7 Å²	52.7	52%	0.519	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-9.5	169.3	-78.3	-179.6	-163.3	0	0	112.3	K445 K467 D487 W491	K445-E489 IonicContact NZ-OE2 2.72Å; K467-E489 WeakPolarHBondContact CE-O 3.28Å; K467-E489 PolarHBondContact NZ-O 2.93Å; D487-E489 PolarHBondContact O-N 3.33Å; D487-E489 VanDerWaalsContact OD1-C 3.31Å; D487-E489 VanDerWaalsContact OD1-CA 3.31Å; D487-E489 WeakPolarHBondContact OD1-CA 3.25Å; D487-E489 VanDerWaalsContact OD1-CB 3.31Å; D487-E489 WeakPolarHBondContact OD1-CB 3.48Å; D487-E489 PolarHBondContact OD1-N 3.08Å; E489-W491 PolarHBondContact OE2-NE1 3.32Å
490	G	95.6	Very high	95.6	Very high	34 Å²	34	48.9 Å²	48.9	35%	0.351	28%	0.275	S	S	.	.	S	Bend	trans	86.9	24	-177.6	0	0	0	0	0	114.9	K467 D487	K467-G490 WeakPolarHBondContact CG-O 3.07Å; D487-G490 WeakPolarHBondContact O-CA 3.28Å; D487-G490 PolarHBondContact O-N 2.87Å; D487-G490 PolarHBondContact OD1-N 3.34Å
491	W	97.8	Very high	95.7	Very high	10 Å²	10	42.8 Å²	42.8	4%	0.038	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-91	130.6	170.5	-58.5	87.8	0	0	0	111.4	A42 E443 K445 C465 K467 I486 D487 E489	A42-W491 HydrophobicContact CB-CH2 3.82Å; A42-W491 HydrophobicContact CB-CZ2 4.46Å; E443-W491 HydrophobicContact CB-CH2 4.17Å; E443-W491 HydrophobicContact CB-CZ3 4.26Å; K445-W491 HydrophobicContact CB-CE3 4.44Å; K445-W491 HydrophobicContact CB-CH2 4.12Å; K445-W491 HydrophobicContact CB-CZ3 4.04Å; K445-W491 HydrophobicContact CD-CD2 3.67Å; K445-W491 HydrophobicContact CD-CE3 3.98Å; K445-W491 HydrophobicContact CD-CG 4.16Å; K445-W491 HydrophobicContact CD-CH2 4.27Å; K445-W491 HydrophobicContact CD-CZ2 3.93Å; K445-W491 HydrophobicContact CD-CZ3 4.28Å; K445-W491 VanDerWaalsContact CE-CD2 3.43Å; K445-W491 HydrophobicContact CG-CD2 4Å; K445-W491 HydrophobicContact CG-CE3 3.75Å; K445-W491 HydrophobicContact CG-CH2 4.18Å; K445-W491 HydrophobicContact CG-CZ2 4.36Å; K445-W491 HydrophobicContact CG-CZ3 3.86Å; K445-W491 VanDerWaalsContact NZ-CG 3.35Å; K445-W491 VanDerWaalsContact NZ-NE1 3.18Å; C465-W491 HydrophobicContact CB-CB 4.19Å; C465-W491 HydrophobicContact CB-CE3 4.4Å; K467-W491 HydrophobicContact CB-CD2 3.68Å; K467-W491 HydrophobicContact CB-CE3 3.33Å; K467-W491 HydrophobicContact CB-CG 4.31Å; K467-W491 HydrophobicContact CB-CH2 4.1Å; K467-W491 HydrophobicContact CB-CZ2 4.44Å; K467-W491 HydrophobicContact CB-CZ3 3.56Å; K467-W491 HydrophobicContact CD-CD2 3.86Å; K467-W491 HydrophobicContact CD-CE3 4.32Å; K467-W491 HydrophobicContact CD-CG 4.21Å; K467-W491 HydrophobicContact CD-CH2 4.4Å; K467-W491 HydrophobicContact CD-CZ2 4Å; K467-W491 HydrophobicContact CG-CD2 4.44Å; K467-W491 HydrophobicContact CG-CE3 4.49Å; I486-W491 CarbonylContact C-O 3.5Å; I486-W491 WeakPolarHBondContact CA-O 3.37Å; D487-W491 PolarHBondContact N-O 3.48Å; D487-W491 PolarHBondContact OD1-N 3.49Å; E489-W491 PolarHBondContact OE2-NE1 3.32Å
492	L	98.3	Very high	95.7	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119	172.4	-174	157	0	0	0	109.6	E417 T418 C465 V466 C471 T472 L485 T494	E417-L492 HydrophobicContact CB-CD1 3.99Å; E417-L492 WeakPolarHBondContact O-CD1 3.37Å; T418-L492 HydrophobicContact CG2-CD1 3.98Å; T418-L492 HydrophobicContact CG2-CD2 3.79Å; C465-L492 CarbonylContact C-O 3.52Å; C465-L492 WeakPolarHBondContact CA-O 3.46Å; V466-L492 PolarHBondContact N-O 2.8Å; V466-L492 WeakPolarHBondContact O-CB 3.49Å; V466-L492 PolarHBondContact O-N 3.46Å; C471-L492 HydrophobicContact CB-CB 4.42Å; C471-L492 HydrophobicContact CB-CD1 3.86Å; T472-L492 HydrophobicContact CG2-CD1 4.2Å; L485-L492 HydrophobicContact CD1-CD2 4.12Å; L485-L492 HydrophobicContact CD1-CG 3.97Å; L485-L492 HydrophobicContact CD2-CD1 4.42Å; L485-L492 HydrophobicContact CG-CD1 4.49Å; L485-L492 HydrophobicContact CG-CG 4.06Å; L485-L492 CarbonylContact O-C 3.56Å; L485-L492 WeakPolarHBondContact O-CA 3.39Å; L492-T494 HydrophobicContact CD2-CG2 4.09Å
493	H	97.5	Very high	95.7	Very high	53 Å²	53	49.2 Å²	49.2	25%	0.245	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	122.3	174.7	-77.5	-100.1	0	0	0	110.2	E463 C465 L485 D487	E463-H493 WeakPolarHBondContact OE1-CB 3.46Å; E463-H493 IonicContact OE1-CG 2.77Å; E463-H493 IonicContact OE1-ND1 2.8Å; E463-H493 IonicContact OE2-CE1 3.7Å; E463-H493 IonicContact OE2-CG 3.9Å; E463-H493 IonicContact OE2-ND1 3.54Å; E463-H493 PolarHBondContact OE2-ND1 3.07Å; C465-H493 PolarHBondContact SG-CE1 3.15Å; C465-H493 PolarHBondContact SG-ND1 3.38Å; C465-H493 VanDerWaalsContact SG-ND1 3.39Å; L485-H493 PolarHBondContact O-N 3.49Å; D487-H493 IonicContact OD2-NE2 3.57Å
494	T	96	Very high	95.6	Very high	20 Å²	20	45.7 Å²	45.7	12%	0.123	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-19.6	-176.7	59.2	0	0	0	0	113.4	I422 E463 I464 V466 L492 D496 R511	I422-T494 HydrophobicContact CD1-CG2 3.98Å; E463-T494 PolarHBondContact OE1-N 3.25Å; I464-T494 WeakPolarHBondContact CB-OG1 3.37Å; I464-T494 HydrophobicContact CG2-CG2 4.33Å; I464-T494 WeakPolarHBondContact O-CB 3.41Å; I464-T494 VanDerWaalsContact O-CG2 3.32Å; I464-T494 WeakPolarHBondContact O-CG2 3.48Å; I464-T494 PolarHBondContact O-N 3.06Å; I464-T494 PolarHBondContact O-OG1 2.75Å; V466-T494 HydrophobicContact CG2-CG2 4.07Å; L492-T494 HydrophobicContact CD2-CG2 4.09Å; T494-D496 PolarHBondContact O-N 2.94Å; T494-D496 PolarHBondContact OG1-N 3.16Å; T494-R511 PolarHBondContact O-NH1 2.76Å; T494-R511 VanDerWaalsContact O-NH1 3.08Å
495	G	93.4	Very high	95.8	Very high	21 Å²	21	38.5 Å²	38.5	22%	0.216	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.2	18.9	-167.6	0	0	0	0	0	113.7	E463 L512	E463-G495 WeakPolarHBondContact OE1-CA 3.04Å; E463-G495 PolarHBondContact OE1-N 2.95Å; G495-L512 WeakPolarHBondContact O-CB 3.42Å; G495-L512 PolarHBondContact O-N 2.88Å
496	D	95	Very high	95.8	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.2	177.5	-73.8	-62.9	0	0	0	110.5	Y413 E463 I464 T494 R511	Y413-D496 VanDerWaalsContact OH-CB 3.27Å; Y413-D496 WeakPolarHBondContact OH-CB 3.07Å; Y413-D496 PolarHBondContact OH-OD2 2.86Å; E463-D496 WeakPolarHBondContact CA-O 3.41Å; I464-D496 HydrophobicContact CD1-CB 4.13Å; I464-D496 PolarHBondContact N-O 2.87Å; T494-D496 PolarHBondContact O-N 2.94Å; T494-D496 PolarHBondContact OG1-N 3.16Å; D496-R511 WeakPolarHBondContact OD1-CD 3.29Å; D496-R511 IonicContact OD1-CZ 3.42Å; D496-R511 IonicContact OD1-NE 2.69Å; D496-R511 PolarHBondContact OD1-NE 3.03Å; D496-R511 IonicContact OD1-NH1 3.49Å; D496-R511 PolarHBondContact OD1-NH1 3.31Å; D496-R511 IonicContact OD1-NH2 2.77Å; D496-R511 PolarHBondContact OD1-NH2 3.05Å; D496-R511 IonicContact OD2-CZ 3.02Å; D496-R511 IonicContact OD2-NH1 3.21Å; D496-R511 PolarHBondContact OD2-NH1 2.85Å; D496-R511 IonicContact OD2-NH2 2.75Å; D496-R511 PolarHBondContact OD2-NH2 3.13Å
497	I	95.2	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	126.5	176.1	-56.4	-53.1	0	0	0	109.9	V449 L454 R461 G462 E463 V509 D510 L512 I515	V449-I497 HydrophobicContact CG2-CD1 3.87Å; L454-I497 HydrophobicContact CD1-CG2 4.43Å; R461-I497 HydrophobicContact CG-CG2 3.85Å; G462-I497 WeakPolarHBondContact O-CA 3.2Å; E463-I497 HydrophobicContact CB-CD1 4.31Å; I497-V509 HydrophobicContact CB-CB 4.15Å; I497-V509 HydrophobicContact CG2-CB 3.93Å; I497-V509 HydrophobicContact CG2-CG1 4.41Å; I497-V509 HydrophobicContact CG2-CG2 4.17Å; I497-V509 PolarHBondContact O-N 3.38Å; I497-D510 PolarHBondContact N-O 3.19Å; I497-L512 HydrophobicContact CD1-CB 3.9Å; I497-L512 HydrophobicContact CD1-CD1 3.89Å; I497-L512 HydrophobicContact CD1-CG 4.44Å; I497-L512 HydrophobicContact CG1-CB 4.34Å; I497-I515 HydrophobicContact CB-CD1 4.17Å; I497-I515 HydrophobicContact CG1-CD1 3.74Å; I497-I515 HydrophobicContact CG2-CD1 4.43Å
498	G	96.5	Very high	95.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	156.7	179.3	0	0	0	0	0	112.7	R461 G462 K507	R461-G498 WeakPolarHBondContact CA-O 3.29Å; R461-G498 WeakPolarHBondContact CG-O 3.3Å; G462-G498 PolarHBondContact N-O 3.44Å; G462-G498 VanDerWaalsContact N-O 3.12Å; G462-G498 PolarHBondContact O-N 3.36Å; G498-K507 CarbonylContact C-O 3.38Å; G498-K507 VanDerWaalsContact CA-O 3.31Å; G498-K507 WeakPolarHBondContact CA-O 3.26Å
499	E	95.9	Very high	95.4	Very high	36 Å²	36	33.9 Å²	33.9	17%	0.168	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	135.8	175.5	177.9	175.4	97	0	0	109.3	Q460 R461 K507 V509	Q460-E499 WeakPolarHBondContact O-CA 3.43Å; R461-E499 HydrophobicContact CG-CB 4.33Å; R461-E499 IonicContact CZ-OE2 2.77Å; R461-E499 VanDerWaalsContact CZ-OE2 3.26Å; R461-E499 IonicContact NE-OE2 3.33Å; R461-E499 PolarHBondContact NE-OE2 2.88Å; R461-E499 IonicContact NH2-OE2 2.64Å; R461-E499 PolarHBondContact NH2-OE2 3.23Å; E499-K507 HydrophobicContact CB-CB 4.4Å; E499-K507 PolarHBondContact N-O 2.94Å; E499-K507 PolarHBondContact O-N 3.38Å; E499-K507 WeakPolarHBondContact OE1-CD 3.32Å; E499-K507 WeakPolarHBondContact OE1-CE 3.18Å; E499-K507 IonicContact OE1-NZ 2.59Å; E499-K507 PolarHBondContact OE1-NZ 3.22Å; E499-V509 HydrophobicContact CB-CG2 3.86Å
500	W	96.6	Very high	94.9	Very high	18 Å²	18	28.6 Å²	28.6	7%	0.068	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	130.9	172.4	-65.2	117.5	0	0	0	111.5	R43 L438 V444 L446 Q460 L506	R43-W500 HydrophobicContact CB-CH2 4.24Å; R43-W500 HydrophobicContact CB-CZ2 4.12Å; R43-W500 VanDerWaalsContact CD-CZ2 3.47Å; R43-W500 HydrophobicContact CG-CZ2 4.3Å; R43-W500 VanDerWaalsContact NH1-CD1 3.28Å; L438-W500 HydrophobicContact CD1-CH2 3.87Å; L438-W500 HydrophobicContact CD2-CH2 3.95Å; L438-W500 HydrophobicContact CD2-CZ3 4.42Å; L438-W500 HydrophobicContact CG-CH2 3.98Å; L438-W500 HydrophobicContact CG-CZ3 4.28Å; V444-W500 HydrophobicContact CB-CH2 4.45Å; V444-W500 HydrophobicContact CG1-CH2 4.32Å; V444-W500 HydrophobicContact CG1-CZ2 4.21Å; L446-W500 VanDerWaalsContact CD1-CD1 3.43Å; L446-W500 HydrophobicContact CD1-CG 4.22Å; L446-W500 VanDerWaalsContact CD1-NE1 3.35Å; L446-W500 HydrophobicContact CG-CZ2 4.48Å; Q460-W500 HydrophobicContact CB-CB 4.38Å; Q460-W500 PolarHBondContact O-N 3.48Å; W500-L506 HydrophobicContact CE3-CB 4.38Å; W500-L506 HydrophobicContact CE3-CD1 4.38Å; W500-L506 HydrophobicContact CH2-CB 4.46Å; W500-L506 HydrophobicContact CH2-CD1 4.22Å; W500-L506 HydrophobicContact CZ3-CB 3.84Å; W500-L506 HydrophobicContact CZ3-CD1 4.13Å
501	T	95.3	Very high	94.5	Very high	30 Å²	30	31.6 Å²	31.6	18%	0.184	16%	0.159	C	C	.	.			trans	-76.2	167.2	165.2	82.3	0	0	0	0	111.4	T434 E503 G504 S505	T434-T501 HydrophobicContact CG2-CG2 3.71Å; T501-E503 VanDerWaalsContact CB-OE2 3.3Å; T501-E503 WeakPolarHBondContact CB-OE2 3.39Å; T501-E503 PolarHBondContact O-N 3.05Å; T501-E503 PolarHBondContact OG1-N 3.11Å; T501-E503 PolarHBondContact OG1-OE2 2.88Å; T501-G504 WeakPolarHBondContact O-CA 3.5Å; T501-G504 PolarHBondContact O-N 2.94Å; T501-S505 PolarHBondContact N-O 2.83Å; T501-S505 WeakPolarHBondContact OG1-CB 3.44Å; T501-S505 PolarHBondContact OG1-N 3.4Å
502	L	92.5	Very high	93.9	Very high	182 Å²	182	33.5 Å²	33.5	95%	0.953	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-31.8	175.6	-63.5	175.8	0	0	0	112.6	G504	L502-G504 VanDerWaalsContact C-N 3.25Å; L502-G504 PolarHBondContact O-N 2.89Å
503	E	94.5	Very high	93.1	Very high	49 Å²	49	43.1 Å²	43.1	23%	0.229	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	2.8	176.2	-48.9	98.5	143.1	0	0	113.3	Q31 Q32 R431 T501 S505	Q31-E503 CarbonylContact C-O 3.59Å; Q31-E503 WeakPolarHBondContact CA-O 3.46Å; Q32-E503 PolarHBondContact N-O 2.94Å; R431-E503 VanDerWaalsContact CD-OE1 3.27Å; R431-E503 WeakPolarHBondContact CD-OE1 3.21Å; R431-E503 IonicContact CZ-OE1 2.83Å; R431-E503 IonicContact NE-OE1 3.7Å; R431-E503 VanDerWaalsContact NH1-CD 3.33Å; R431-E503 IonicContact NH1-OE1 3.96Å; R431-E503 PolarHBondContact NH1-OE1 3.07Å; T501-E503 VanDerWaalsContact CB-OE2 3.3Å; T501-E503 WeakPolarHBondContact CB-OE2 3.39Å; T501-E503 PolarHBondContact O-N 3.05Å; T501-E503 PolarHBondContact OG1-N 3.11Å; T501-E503 PolarHBondContact OG1-OE2 2.88Å; E503-S505 VanDerWaalsContact C-N 3.31Å; E503-S505 PolarHBondContact O-N 2.83Å
504	G	94.9	Very high	92.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.01	22%	0.217	C	C	.	.			trans	73.1	18.9	-176.3	0	0	0	0	0	114.5	Q32 S33 T501 L502	Q32-G504 CarbonylContact C-O 3.57Å; S33-G504 WeakPolarHBondContact CB-O 3.47Å; S33-G504 PolarHBondContact N-O 2.89Å; S33-G504 WeakPolarHBondContact OG-CA 3.42Å; S33-G504 PolarHBondContact OG-O 3.08Å; T501-G504 WeakPolarHBondContact O-CA 3.5Å; T501-G504 PolarHBondContact O-N 2.94Å; L502-G504 VanDerWaalsContact C-N 3.25Å; L502-G504 PolarHBondContact O-N 2.89Å
505	S	96.4	Very high	91.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.007	22%	0.216	C	C	.	.			trans	-73.1	143	169.3	-172.3	0	0	0	0	109.5	T434 G436 T501 E503	T434-S505 WeakPolarHBondContact CB-OG 3.42Å; T434-S505 PolarHBondContact OG1-OG 3.41Å; G436-S505 WeakPolarHBondContact CA-OG 3.31Å; G436-S505 PolarHBondContact N-OG 3.34Å; G436-S505 WeakPolarHBondContact O-CA 3.3Å; G436-S505 PolarHBondContact O-OG 2.59Å; T501-S505 PolarHBondContact N-O 2.83Å; T501-S505 WeakPolarHBondContact OG1-CB 3.44Å; T501-S505 PolarHBondContact OG1-N 3.4Å; E503-S505 VanDerWaalsContact C-N 3.31Å; E503-S505 PolarHBondContact O-N 2.83Å
506	L	97.8	Very high	91.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.1	172.6	-176.8	62.3	0	0	0	109.9	Y413 A423 T434 V435 G436 I464 W500 I508	Y413-L506 HydrophobicContact CD1-CD2 4.04Å; Y413-L506 HydrophobicContact CE1-CD2 4.18Å; A423-L506 HydrophobicContact CB-CB 4.24Å; A423-L506 HydrophobicContact CB-CD2 4Å; T434-L506 CarbonylContact C-O 3.55Å; V435-L506 HydrophobicContact CG2-CB 4.07Å; V435-L506 HydrophobicContact CG2-CD2 4.17Å; V435-L506 HydrophobicContact CG2-CG 3.98Å; V435-L506 VanDerWaalsContact CG2-O 3.27Å; V435-L506 WeakPolarHBondContact CG2-O 3.48Å; V435-L506 PolarHBondContact N-O 3.13Å; G436-L506 PolarHBondContact N-O 2.88Å; G436-L506 PolarHBondContact O-N 3.01Å; I464-L506 HydrophobicContact CD1-CD1 4.31Å; I464-L506 HydrophobicContact CD1-CD2 4.23Å; I464-L506 HydrophobicContact CG1-CD1 4.39Å; W500-L506 HydrophobicContact CE3-CB 4.38Å; W500-L506 HydrophobicContact CE3-CD1 4.38Å; W500-L506 HydrophobicContact CH2-CB 4.46Å; W500-L506 HydrophobicContact CH2-CD1 4.22Å; W500-L506 HydrophobicContact CZ3-CB 3.84Å; W500-L506 HydrophobicContact CZ3-CD1 4.13Å; L506-I508 HydrophobicContact CD2-CD1 4.36Å; L506-I508 HydrophobicContact CG-CD1 4.41Å
507	K	95.5	Very high	90.4	Very high	70 Å²	70	46.9 Å²	46.9	30%	0.304	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.2	170.2	166.7	175.9	161.9	-150	0	109.1	G433 T434 G498 E499	G433-K507 WeakPolarHBondContact O-CG 3.33Å; T434-K507 HydrophobicContact CG2-CB 4.36Å; G498-K507 CarbonylContact C-O 3.38Å; G498-K507 VanDerWaalsContact CA-O 3.31Å; G498-K507 WeakPolarHBondContact CA-O 3.26Å; E499-K507 HydrophobicContact CB-CB 4.4Å; E499-K507 PolarHBondContact N-O 2.94Å; E499-K507 PolarHBondContact O-N 3.38Å; E499-K507 WeakPolarHBondContact OE1-CD 3.32Å; E499-K507 WeakPolarHBondContact OE1-CE 3.18Å; E499-K507 IonicContact OE1-NZ 2.59Å; E499-K507 PolarHBondContact OE1-NZ 3.22Å
508	I	94	Very high	89.9	Confident	37 Å²	37	47 Å²	47	19%	0.19	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	140.2	171.9	-49.2	-54.2	0	0	0	108.4	Y413 V435 I464 L506	Y413-I508 HydrophobicContact CD1-CD1 3.76Å; Y413-I508 HydrophobicContact CD2-CD1 3.73Å; Y413-I508 HydrophobicContact CD2-CG1 3.94Å; Y413-I508 HydrophobicContact CE1-CD1 3.71Å; Y413-I508 HydrophobicContact CE2-CD1 3.69Å; Y413-I508 HydrophobicContact CE2-CG1 4.2Å; Y413-I508 HydrophobicContact CG-CD1 3.77Å; Y413-I508 HydrophobicContact CG-CG1 4.19Å; V435-I508 HydrophobicContact CG1-CG1 3.9Å; V435-I508 HydrophobicContact CG2-CD1 3.92Å; V435-I508 HydrophobicContact CG2-CG1 3.91Å; I464-I508 HydrophobicContact CD1-CD1 3.48Å; I464-I508 VanDerWaalsContact CD1-CD1 3.48Å; L506-I508 HydrophobicContact CD2-CD1 4.36Å; L506-I508 HydrophobicContact CG-CD1 4.41Å
509	V	90.4	Very high	89.1	Confident	29 Å²	29	49.8 Å²	49.8	18%	0.176	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-57.5	-179.6	-178.9	0	0	0	0	110.4	R461 I497 E499 I515	R461-V509 HydrophobicContact CG-CG2 4.29Å; I497-V509 HydrophobicContact CB-CB 4.15Å; I497-V509 HydrophobicContact CG2-CB 3.93Å; I497-V509 HydrophobicContact CG2-CG1 4.41Å; I497-V509 HydrophobicContact CG2-CG2 4.17Å; I497-V509 PolarHBondContact O-N 3.38Å; E499-V509 HydrophobicContact CB-CG2 3.86Å; V509-I515 HydrophobicContact CG1-CD1 4.47Å
510	D	84.5	Confident	88.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	-178.6	177.8	-147.3	-71.8	0	0	0	109.6	I497 S514 I515 A525 P526 E527	I497-D510 PolarHBondContact N-O 3.19Å; D510-S514 WeakPolarHBondContact OD1-CB 3.34Å; D510-I515 HydrophobicContact CB-CD1 3.86Å; D510-I515 HydrophobicContact CB-CG1 3.57Å; D510-A525 HydrophobicContact CB-CB 3.79Å; D510-A525 WeakPolarHBondContact OD2-CA 3.45Å; D510-A525 VanDerWaalsContact OD2-CB 3.23Å; D510-A525 WeakPolarHBondContact OD2-CB 3.49Å; D510-P526 VanDerWaalsContact OD2-CD 3.24Å; D510-P526 WeakPolarHBondContact OD2-CD 3.44Å; D510-E527 WeakPolarHBondContact OD2-CB 3.18Å; D510-E527 PolarHBondContact OD2-N 2.64Å
511	R	86.6	Confident	87.3	Confident	98 Å²	98	53 Å²	53	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.4	168.7	-77	-82.5	168.6	-144.5	-26.4	111.6	T494 D496 K513 S514 I515 E527	T494-R511 PolarHBondContact O-NH1 2.76Å; T494-R511 VanDerWaalsContact O-NH1 3.08Å; D496-R511 WeakPolarHBondContact OD1-CD 3.29Å; D496-R511 IonicContact OD1-CZ 3.42Å; D496-R511 IonicContact OD1-NE 2.69Å; D496-R511 PolarHBondContact OD1-NE 3.03Å; D496-R511 IonicContact OD1-NH1 3.49Å; D496-R511 PolarHBondContact OD1-NH1 3.31Å; D496-R511 IonicContact OD1-NH2 2.77Å; D496-R511 PolarHBondContact OD1-NH2 3.05Å; D496-R511 IonicContact OD2-CZ 3.02Å; D496-R511 IonicContact OD2-NH1 3.21Å; D496-R511 PolarHBondContact OD2-NH1 2.85Å; D496-R511 IonicContact OD2-NH2 2.75Å; D496-R511 PolarHBondContact OD2-NH2 3.13Å; R511-K513 PolarHBondContact O-N 3.24Å; R511-K513 VanDerWaalsContact O-N 3.13Å; R511-S514 WeakPolarHBondContact CB-OG 3.01Å; R511-S514 PolarHBondContact O-N 2.88Å; R511-I515 PolarHBondContact O-N 2.82Å; R511-I515 VanDerWaalsContact O-N 3.16Å; R511-E527 WeakPolarHBondContact CG-OE1 3.42Å
512	L	85.6	Confident	86.6	Confident	50 Å²	50	55.3 Å²	55.3	26%	0.262	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-36.5	176.1	169.7	62	0	0	0	113	V449 E463 G495 I497	V449-L512 HydrophobicContact CB-CD1 4.46Å; V449-L512 HydrophobicContact CG1-CD1 3.46Å; V449-L512 VanDerWaalsContact CG1-CD1 3.46Å; V449-L512 HydrophobicContact CG2-CD1 4.11Å; E463-L512 HydrophobicContact CG-CD2 4.35Å; G495-L512 WeakPolarHBondContact O-CB 3.42Å; G495-L512 PolarHBondContact O-N 2.88Å; I497-L512 HydrophobicContact CD1-CB 3.9Å; I497-L512 HydrophobicContact CD1-CD1 3.89Å; I497-L512 HydrophobicContact CD1-CG 4.44Å; I497-L512 HydrophobicContact CG1-CB 4.34Å
513	K	82.3	Confident	86	Confident	204 Å²	204	49.6 Å²	49.6	89%	0.887	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.9	-179.7	-64.8	-173.9	178.2	-178.4	0	114.3	R511	R511-K513 PolarHBondContact O-N 3.24Å; R511-K513 VanDerWaalsContact O-N 3.13Å
514	S	80.4	Confident	85.6	Confident	52 Å²	52	47.2 Å²	47.2	36%	0.364	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-27.1	-179.3	-55.7	0	0	0	0	113.2	D510 R511 F516 P526	D510-S514 WeakPolarHBondContact OD1-CB 3.34Å; R511-S514 WeakPolarHBondContact CB-OG 3.01Å; R511-S514 PolarHBondContact O-N 2.88Å; S514-F516 PolarHBondContact O-N 2.91Å; S514-P526 WeakPolarHBondContact O-CD 3.33Å; S514-P526 WeakPolarHBondContact O-CG 3.28Å
515	I	82.4	Confident	85.2	Confident	23 Å²	23	47.7 Å²	47.7	12%	0.118	24%	0.242	C	C	.	.			trans	-62.6	122	175.1	-60.5	-174.6	0	0	0	110.1	L452 I497 V509 D510 R511 Y523	L452-I515 HydrophobicContact CD1-CB 4.15Å; L452-I515 HydrophobicContact CD1-CD1 4.17Å; L452-I515 HydrophobicContact CD1-CG2 3.98Å; L452-I515 HydrophobicContact CD2-CB 4.42Å; L452-I515 HydrophobicContact CD2-CG2 3.85Å; I497-I515 HydrophobicContact CB-CD1 4.17Å; I497-I515 HydrophobicContact CG1-CD1 3.74Å; I497-I515 HydrophobicContact CG2-CD1 4.43Å; V509-I515 HydrophobicContact CG1-CD1 4.47Å; D510-I515 HydrophobicContact CB-CD1 3.86Å; D510-I515 HydrophobicContact CB-CG1 3.57Å; R511-I515 PolarHBondContact O-N 2.82Å; R511-I515 VanDerWaalsContact O-N 3.16Å; I515-Y523 HydrophobicContact CG2-CD1 4.37Å
516	F	82.3	Confident	84.9	Confident	22 Å²	22	48 Å²	48	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	158.5	172.1	56.9	-98	0	0	0	112	S514 L518 Y523 V524 P526 V544 D545 G546 P553	S514-F516 PolarHBondContact O-N 2.91Å; F516-L518 HydrophobicContact CD2-CD2 4.13Å; F516-L518 HydrophobicContact CE2-CD2 3.96Å; F516-L518 HydrophobicContact CE2-CG 4.44Å; F516-Y523 WeakPolarHBondContact O-CA 3.32Å; F516-V524 HydrophobicContact CD2-CB 4.05Å; F516-V524 HydrophobicContact CE1-CB 4.45Å; F516-V524 HydrophobicContact CE1-CG1 4.36Å; F516-V524 HydrophobicContact CE2-CB 3.47Å; F516-V524 VanDerWaalsContact CE2-CB 3.47Å; F516-V524 HydrophobicContact CE2-CG1 3.93Å; F516-V524 HydrophobicContact CE2-CG2 3.86Å; F516-V524 HydrophobicContact CZ-CB 3.7Å; F516-V524 HydrophobicContact CZ-CG1 3.64Å; F516-V524 HydrophobicContact CZ-CG2 4.42Å; F516-V524 PolarHBondContact N-O 2.86Å; F516-V524 PolarHBondContact O-N 3.14Å; F516-P526 HydrophobicContact CE1-CB 4.16Å; F516-P526 HydrophobicContact CE1-CG 4.36Å; F516-V544 HydrophobicContact CE1-CG1 4.39Å; F516-V544 HydrophobicContact CZ-CG1 4.15Å; F516-D545 VanDerWaalsContact CE1-C 3.44Å; F516-D545 VanDerWaalsContact CZ-C 3.42Å; F516-G546 VanDerWaalsContact CE2-CA 3.49Å; F516-P553 HydrophobicContact CE2-CB 3.91Å; F516-P553 HydrophobicContact CZ-CB 3.77Å
517	K	79.1	Confident	84.3	Confident	82 Å²	82	50.6 Å²	50.6	36%	0.357	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	140.2	175.7	-165.1	176.4	-167.3	157.9	0	109.3	G521 Y523 N547 S548	K517-G521 WeakPolarHBondContact CE-O 3.38Å; K517-Y523 HydrophobicContact CB-CD1 3.71Å; K517-Y523 HydrophobicContact CB-CE1 3.59Å; K517-Y523 HydrophobicContact CD-CD1 4.33Å; K517-Y523 HydrophobicContact CD-CE1 3.47Å; K517-Y523 VanDerWaalsContact CD-CE1 3.47Å; K517-Y523 VanDerWaalsContact CE-OH 3.28Å; K517-Y523 WeakPolarHBondContact CE-OH 3.47Å; K517-Y523 HydrophobicContact CG-CD1 3.78Å; K517-Y523 HydrophobicContact CG-CE1 3.42Å; K517-Y523 VanDerWaalsContact CG-CE1 3.42Å; K517-Y523 PolarHBondContact NZ-OH 3.16Å; K517-N547 CarbonylContact O-C 3.39Å; K517-S548 WeakPolarHBondContact O-CA 3.2Å; K517-S548 PolarHBondContact O-N 3.34Å
518	L	83.6	Confident	83.9	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	26%	0.259	C	S	.	.			trans	-96	165.5	170.9	-63	177	0	0	0	111.1	F516 Q520 G521 E522 V524 Q550 F610	F516-L518 HydrophobicContact CD2-CD2 4.13Å; F516-L518 HydrophobicContact CE2-CD2 3.96Å; F516-L518 HydrophobicContact CE2-CG 4.44Å; L518-Q520 PolarHBondContact O-N 3.35Å; L518-G521 WeakPolarHBondContact O-CA 3.32Å; L518-G521 PolarHBondContact O-N 2.92Å; L518-E522 PolarHBondContact N-O 3.14Å; L518-V524 HydrophobicContact CD1-CG2 3.73Å; L518-V524 HydrophobicContact CG-CG2 4.13Å; L518-Q550 WeakPolarHBondContact CA-O 3.13Å; L518-F610 HydrophobicContact CD1-CB 4.08Å; L518-F610 HydrophobicContact CD1-CD2 4.19Å
519	A	81.2	Confident	83.7	Confident	60 Å²	60	49.6 Å²	49.6	50%	0.496	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.8	-175.3	0	0	0	0	0	114.2	G521 S548 Q550	A519-G521 PolarHBondContact O-N 3.12Å; A519-S548 WeakPolarHBondContact CA-O 3.39Å; A519-Q550 WeakPolarHBondContact CB-O 3.47Å; A519-Q550 PolarHBondContact N-O 2.78Å
520	Q	80.1	Confident	83.8	Confident	90 Å²	90	49.7 Å²	49.7	42%	0.421	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	1.1	173.1	65	-87.5	22.8	0	0	114.3	L518 E522 N551	L518-Q520 PolarHBondContact O-N 3.35Å; Q520-E522 VanDerWaalsContact C-N 3.3Å; Q520-E522 HydrophobicContact CG-CB 4.03Å; Q520-E522 HydrophobicContact CG-CG 3.98Å; Q520-E522 PolarHBondContact O-N 3.47Å; Q520-N551 PolarHBondContact NE2-O 2.86Å; Q520-N551 PolarHBondContact OE1-O 3.04Å
521	G	73.8	Confident	84	Confident	31 Å²	31	51.6 Å²	51.6	32%	0.32	26%	0.258	S	S	.	.	S	Bend	trans	85.8	-10.6	178.5	0	0	0	0	0	115.6	K517 L518 A519	K517-G521 WeakPolarHBondContact CE-O 3.38Å; L518-G521 WeakPolarHBondContact O-CA 3.32Å; L518-G521 PolarHBondContact O-N 2.92Å; A519-G521 PolarHBondContact O-N 3.12Å
522	E	80.1	Confident	84	Confident	78 Å²	78	47.8 Å²	47.8	36%	0.364	25%	0.246	S	C	.	.			trans	-65.2	147	171.9	-71.8	-81.9	-164	0	0	111.6	L518 Q520 K608 F610	L518-E522 PolarHBondContact N-O 3.14Å; Q520-E522 VanDerWaalsContact C-N 3.3Å; Q520-E522 HydrophobicContact CG-CB 4.03Å; Q520-E522 HydrophobicContact CG-CG 3.98Å; Q520-E522 PolarHBondContact O-N 3.47Å; E522-K608 IonicContact OE2-NZ 2.69Å; E522-F610 HydrophobicContact CB-CD1 4.15Å; E522-F610 HydrophobicContact CB-CD2 3.94Å; E522-F610 HydrophobicContact CB-CE1 3.87Å; E522-F610 HydrophobicContact CB-CE2 3.71Å; E522-F610 HydrophobicContact CB-CG 4.17Å; E522-F610 HydrophobicContact CB-CZ 3.64Å; E522-F610 HydrophobicContact CG-CD1 3.85Å; E522-F610 HydrophobicContact CG-CE1 3.46Å; E522-F610 VanDerWaalsContact CG-CE1 3.46Å; E522-F610 HydrophobicContact CG-CE2 4.26Å; E522-F610 HydrophobicContact CG-CG 4.36Å; E522-F610 HydrophobicContact CG-CZ 3.7Å; E522-F610 VanDerWaalsContact OE1-CE1 3.26Å; E522-F610 WeakPolarHBondContact OE1-CE1 3.46Å; E522-F610 WeakPolarHBondContact OE2-CE1 2.89Å; E522-F610 WeakPolarHBondContact OE2-CZ 3.2Å
523	Y	81.6	Confident	84.3	Confident	62 Å²	62	45.4 Å²	45.4	24%	0.243	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.8	178.2	-59.9	-79.8	0	0	0	111.1	L452 I515 F516 K517	L452-Y523 VanDerWaalsContact C-CZ 3.47Å; L452-Y523 WeakPolarHBondContact CA-OH 3.32Å; L452-Y523 HydrophobicContact CB-CE1 4.08Å; L452-Y523 HydrophobicContact CD2-CD1 3.63Å; L452-Y523 HydrophobicContact CD2-CE1 3.59Å; L452-Y523 HydrophobicContact CG-CE1 4.45Å; L452-Y523 WeakPolarHBondContact O-CE2 3.34Å; L452-Y523 PolarHBondContact O-OH 3.09Å; I515-Y523 HydrophobicContact CG2-CD1 4.37Å; F516-Y523 WeakPolarHBondContact O-CA 3.32Å; K517-Y523 HydrophobicContact CB-CD1 3.71Å; K517-Y523 HydrophobicContact CB-CE1 3.59Å; K517-Y523 HydrophobicContact CD-CD1 4.33Å; K517-Y523 HydrophobicContact CD-CE1 3.47Å; K517-Y523 VanDerWaalsContact CD-CE1 3.47Å; K517-Y523 VanDerWaalsContact CE-OH 3.28Å; K517-Y523 WeakPolarHBondContact CE-OH 3.47Å; K517-Y523 HydrophobicContact CG-CD1 3.78Å; K517-Y523 HydrophobicContact CG-CE1 3.42Å; K517-Y523 VanDerWaalsContact CG-CE1 3.42Å; K517-Y523 PolarHBondContact NZ-OH 3.16Å
524	V	84.8	Confident	84.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.3	176.7	179.6	0	0	0	0	109.2	F516 L518 P526 V529 F610	F516-V524 HydrophobicContact CD2-CB 4.05Å; F516-V524 HydrophobicContact CE1-CB 4.45Å; F516-V524 HydrophobicContact CE1-CG1 4.36Å; F516-V524 HydrophobicContact CE2-CB 3.47Å; F516-V524 VanDerWaalsContact CE2-CB 3.47Å; F516-V524 HydrophobicContact CE2-CG1 3.93Å; F516-V524 HydrophobicContact CE2-CG2 3.86Å; F516-V524 HydrophobicContact CZ-CB 3.7Å; F516-V524 HydrophobicContact CZ-CG1 3.64Å; F516-V524 HydrophobicContact CZ-CG2 4.42Å; F516-V524 PolarHBondContact N-O 2.86Å; F516-V524 PolarHBondContact O-N 3.14Å; L518-V524 HydrophobicContact CD1-CG2 3.73Å; L518-V524 HydrophobicContact CG-CG2 4.13Å; V524-P526 WeakPolarHBondContact O-CD 3.36Å; V524-V529 HydrophobicContact CG1-CG2 3.85Å; V524-F610 HydrophobicContact CG2-CD2 3.88Å; V524-F610 HydrophobicContact CG2-CE2 4.15Å
525	A	87.2	Confident	84.9	Confident	11 Å²	11	40.7 Å²	40.7	9%	0.091	21%	0.213	C	C	.	.			trans	-91.1	101.8	168.3	0	0	0	0	0	107.9	D510 E527 K528 V529	D510-A525 HydrophobicContact CB-CB 3.79Å; D510-A525 WeakPolarHBondContact OD2-CA 3.45Å; D510-A525 VanDerWaalsContact OD2-CB 3.23Å; D510-A525 WeakPolarHBondContact OD2-CB 3.49Å; A525-E527 PolarHBondContact O-N 3.24Å; A525-K528 HydrophobicContact CB-CB 3.88Å; A525-K528 WeakPolarHBondContact O-CB 3.42Å; A525-K528 PolarHBondContact O-N 2.86Å; A525-V529 WeakPolarHBondContact O-CG2 3.33Å; A525-V529 PolarHBondContact O-N 3Å
526	P	89.8	Confident	85.2	Confident	7 Å²	7	39.8 Å²	39.8	5%	0.045	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-40.8	-177.4	23.9	-34	0	0	0	113.2	D510 S514 F516 V524 K528 V529 E530 V544	D510-P526 VanDerWaalsContact OD2-CD 3.24Å; D510-P526 WeakPolarHBondContact OD2-CD 3.44Å; S514-P526 WeakPolarHBondContact O-CD 3.33Å; S514-P526 WeakPolarHBondContact O-CG 3.28Å; F516-P526 HydrophobicContact CE1-CB 4.16Å; F516-P526 HydrophobicContact CE1-CG 4.36Å; V524-P526 WeakPolarHBondContact O-CD 3.36Å; P526-K528 VanDerWaalsContact C-N 3.29Å; P526-K528 PolarHBondContact O-N 3.24Å; P526-V529 PolarHBondContact O-N 2.94Å; P526-E530 WeakPolarHBondContact O-CB 3.31Å; P526-E530 WeakPolarHBondContact O-CG 3.15Å; P526-E530 PolarHBondContact O-N 2.98Å; P526-V544 HydrophobicContact CB-CB 4.05Å; P526-V544 HydrophobicContact CB-CG1 4.23Å; P526-V544 WeakPolarHBondContact CB-O 3.42Å
527	E	86.1	Confident	85.6	Confident	55 Å²	55	44.6 Å²	44.6	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-59.8	-41.8	179.7	-68.6	-172	-174.3	0	0	110.6	D510 R511 A525 V529 E530 M531	D510-E527 WeakPolarHBondContact OD2-CB 3.18Å; D510-E527 PolarHBondContact OD2-N 2.64Å; R511-E527 WeakPolarHBondContact CG-OE1 3.42Å; A525-E527 PolarHBondContact O-N 3.24Å; E527-V529 VanDerWaalsContact C-N 3.33Å; E527-V529 PolarHBondContact O-N 2.83Å; E527-E530 PolarHBondContact O-N 3.23Å; E527-M531 VanDerWaalsContact O-CB 3.29Å; E527-M531 WeakPolarHBondContact O-CB 3.5Å; E527-M531 WeakPolarHBondContact O-CG 3.43Å; E527-M531 PolarHBondContact O-N 3.01Å
528	K	85.6	Confident	86.2	Confident	85 Å²	85	40.8 Å²	40.8	37%	0.37	21%	0.214	S	C	.	.	H	α-helix	trans	-57.9	-44.6	174.3	-179.8	-155.6	152.1	-174.9	0	111.6	A525 P526 V532 E611	A525-K528 HydrophobicContact CB-CB 3.88Å; A525-K528 WeakPolarHBondContact O-CB 3.42Å; A525-K528 PolarHBondContact O-N 2.86Å; P526-K528 VanDerWaalsContact C-N 3.29Å; P526-K528 PolarHBondContact O-N 3.24Å; K528-V532 PolarHBondContact O-N 2.79Å; K528-E611 IonicContact NZ-OE1 3.54Å; K528-E611 PolarHBondContact NZ-OE1 3.09Å; K528-E611 IonicContact NZ-OE2 3.55Å; K528-E611 PolarHBondContact NZ-OE2 2.63Å
529	V	90.8	Very high	86.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-71.2	-45.7	-177	176.2	0	0	0	0	110.5	V524 A525 P526 E527 M531 V532 Y533 V544 L607 E611	V524-V529 HydrophobicContact CG1-CG2 3.85Å; A525-V529 WeakPolarHBondContact O-CG2 3.33Å; A525-V529 PolarHBondContact O-N 3Å; P526-V529 PolarHBondContact O-N 2.94Å; E527-V529 VanDerWaalsContact C-N 3.33Å; E527-V529 PolarHBondContact O-N 2.83Å; V529-M531 PolarHBondContact O-N 3.24Å; V529-V532 PolarHBondContact O-N 3.49Å; V529-Y533 HydrophobicContact CG1-CD2 3.68Å; V529-Y533 HydrophobicContact CG1-CE2 3.46Å; V529-Y533 VanDerWaalsContact CG1-CE2 3.46Å; V529-Y533 VanDerWaalsContact O-CD2 3.23Å; V529-Y533 WeakPolarHBondContact O-CD2 3.43Å; V529-Y533 PolarHBondContact O-N 3.37Å; V529-Y533 VanDerWaalsContact O-N 3.08Å; V529-V544 HydrophobicContact CB-CG1 4.5Å; V529-V544 HydrophobicContact CG1-CG1 4.27Å; V529-V544 HydrophobicContact CG1-CG2 4.03Å; V529-L607 HydrophobicContact CG1-CD1 4.27Å; V529-L607 HydrophobicContact CG2-CD2 4.45Å; V529-E611 VanDerWaalsContact CG1-O 3.29Å; V529-E611 WeakPolarHBondContact CG1-O 3.44Å; V529-E611 HydrophobicContact CG2-CB 4.09Å
530	E	92.7	Very high	87.2	Confident	31 Å²	31	42.1 Å²	42.1	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-57.5	-47.4	173.9	-71.5	176.8	-173	0	0	112	P526 E527 V532 Y533 Q534 I542 F543 V544	P526-E530 WeakPolarHBondContact O-CB 3.31Å; P526-E530 WeakPolarHBondContact O-CG 3.15Å; P526-E530 PolarHBondContact O-N 2.98Å; E527-E530 PolarHBondContact O-N 3.23Å; E530-V532 PolarHBondContact O-N 2.61Å; E530-Y533 CarbonylContact O-C 3.55Å; E530-Y533 PolarHBondContact O-N 2.86Å; E530-Y533 VanDerWaalsContact O-N 3.08Å; E530-Q534 WeakPolarHBondContact O-CB 3.27Å; E530-Q534 VanDerWaalsContact O-CG 3.27Å; E530-Q534 WeakPolarHBondContact O-CG 3.34Å; E530-Q534 PolarHBondContact O-N 3.13Å; E530-I542 HydrophobicContact CB-CG2 4.02Å; E530-I542 HydrophobicContact CG-CG2 4.09Å; E530-F543 VanDerWaalsContact OE1-CA 3.3Å; E530-F543 WeakPolarHBondContact OE1-CA 3.49Å; E530-V544 HydrophobicContact CG-CB 3.97Å; E530-V544 HydrophobicContact CG-CG2 3.58Å; E530-V544 PolarHBondContact OE1-N 3.19Å
531	M	87.5	Confident	87.8	Confident	41 Å²	41	43.9 Å²	43.9	20%	0.202	23%	0.227	C	C	.	.	H	α-helix	trans	-60.2	-29.5	178.8	-74.3	171	75.4	0	0	113.1	P393 P395 E527 V529	P393-M531 HydrophobicContact CB-CE 3.63Å; P393-M531 HydrophobicContact CB-SD 3.71Å; P395-M531 HydrophobicContact CB-CE 3.99Å; P395-M531 HydrophobicContact CG-CE 3.74Å; E527-M531 VanDerWaalsContact O-CB 3.29Å; E527-M531 WeakPolarHBondContact O-CB 3.5Å; E527-M531 WeakPolarHBondContact O-CG 3.43Å; E527-M531 PolarHBondContact O-N 3.01Å; V529-M531 PolarHBondContact O-N 3.24Å
532	V	86.8	Confident	88.8	Confident	18 Å²	18	43 Å²	43	11%	0.109	22%	0.215	C	C	.	.	H	α-helix	trans	-73.5	-48.3	171.3	167.8	0	0	0	0	110.9	K528 V529 E530 Q534 C535 V601 N605 L607	K528-V532 PolarHBondContact O-N 2.79Å; V529-V532 PolarHBondContact O-N 3.49Å; E530-V532 PolarHBondContact O-N 2.61Å; V532-Q534 VanDerWaalsContact C-N 3.3Å; V532-Q534 PolarHBondContact O-N 3.1Å; V532-C535 VanDerWaalsContact O-CB 3.3Å; V532-C535 WeakPolarHBondContact O-CB 3.39Å; V532-C535 PolarHBondContact O-N 2.97Å; V532-C535 VanDerWaalsContact O-N 3.08Å; V532-V601 HydrophobicContact CG1-CG1 4.27Å; V532-V601 VanDerWaalsContact O-CG1 3.31Å; V532-V601 WeakPolarHBondContact O-CG1 3.5Å; V532-N605 HydrophobicContact CB-CB 4.41Å; V532-N605 HydrophobicContact CG1-CB 3.57Å; V532-N605 HydrophobicContact CG2-CB 3.94Å; V532-L607 HydrophobicContact CB-CD1 4.03Å; V532-L607 HydrophobicContact CB-CD2 4.4Å; V532-L607 HydrophobicContact CB-CG 4.28Å; V532-L607 HydrophobicContact CG1-CD1 3.74Å; V532-L607 HydrophobicContact CG1-CG 3.96Å; V532-L607 HydrophobicContact CG2-CD2 4.04Å; V532-L607 HydrophobicContact CG2-CG 4.27Å
533	Y	92.1	Very high	89.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69	-25.7	-178.8	-73.3	-64.3	0	0	0	113.5	V529 E530 C535 C536 I542 M598 A602 L607 K612 V613	V529-Y533 HydrophobicContact CG1-CD2 3.68Å; V529-Y533 HydrophobicContact CG1-CE2 3.46Å; V529-Y533 VanDerWaalsContact CG1-CE2 3.46Å; V529-Y533 VanDerWaalsContact O-CD2 3.23Å; V529-Y533 WeakPolarHBondContact O-CD2 3.43Å; V529-Y533 PolarHBondContact O-N 3.37Å; V529-Y533 VanDerWaalsContact O-N 3.08Å; E530-Y533 CarbonylContact O-C 3.55Å; E530-Y533 PolarHBondContact O-N 2.86Å; E530-Y533 VanDerWaalsContact O-N 3.08Å; Y533-C535 PolarHBondContact O-N 3.3Å; Y533-C536 WeakPolarHBondContact O-CB 3.46Å; Y533-C536 PolarHBondContact O-N 3.12Å; Y533-I542 HydrophobicContact CD2-CD1 3.83Å; Y533-I542 HydrophobicContact CG-CD1 3.89Å; Y533-M598 HydrophobicContact CD1-CB 3.78Å; Y533-M598 HydrophobicContact CD1-CE 3.55Å; Y533-M598 HydrophobicContact CD1-CG 4.06Å; Y533-M598 HydrophobicContact CD2-CE 4.44Å; Y533-M598 HydrophobicContact CE1-CB 3.72Å; Y533-M598 HydrophobicContact CE1-CE 3.85Å; Y533-M598 HydrophobicContact CE1-CG 4.46Å; Y533-M598 WeakPolarHBondContact CE1-O 3.37Å; Y533-M598 HydrophobicContact CG-CE 3.87Å; Y533-A602 HydrophobicContact CE1-CB 3.79Å; Y533-L607 HydrophobicContact CD2-CD1 4.47Å; Y533-L607 HydrophobicContact CE2-CD1 3.89Å; Y533-K612 WeakPolarHBondContact OH-CA 3.46Å; Y533-V613 HydrophobicContact CD2-CG2 4.23Å; Y533-V613 HydrophobicContact CE2-CG2 3.61Å; Y533-V613 PolarHBondContact OH-N 3.5Å
534	Q	89.5	Confident	90.2	Very high	105 Å²	105	42 Å²	42	49%	0.491	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.5	169.9	-74.3	175.4	32.2	0	0	113.4	E530 V532 C536 I542	E530-Q534 WeakPolarHBondContact O-CB 3.27Å; E530-Q534 VanDerWaalsContact O-CG 3.27Å; E530-Q534 WeakPolarHBondContact O-CG 3.34Å; E530-Q534 PolarHBondContact O-N 3.13Å; V532-Q534 VanDerWaalsContact C-N 3.3Å; V532-Q534 PolarHBondContact O-N 3.1Å; Q534-C536 VanDerWaalsContact C-N 3.26Å; Q534-I542 HydrophobicContact CG-CG2 3.97Å
535	C	86.2	Confident	90.6	Very high	51 Å²	51	46.1 Å²	46.1	35%	0.345	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-12.7	168.8	-65.9	0	0	0	0	112.9	V532 Y533 K537 V601	V532-C535 VanDerWaalsContact O-CB 3.3Å; V532-C535 WeakPolarHBondContact O-CB 3.39Å; V532-C535 PolarHBondContact O-N 2.97Å; V532-C535 VanDerWaalsContact O-N 3.08Å; Y533-C535 PolarHBondContact O-N 3.3Å; C535-K537 PolarHBondContact O-N 2.81Å; C535-V601 HydrophobicContact CB-CG1 4.01Å
536	C	88.2	Confident	90.7	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.027	24%	0.236	C	C	.	.	S	Bend	trans	-77.4	115.2	174.2	-169.1	0	0	0	0	110.2	Y533 Q534 L538 V539 M598 V601	Y533-C536 WeakPolarHBondContact O-CB 3.46Å; Y533-C536 PolarHBondContact O-N 3.12Å; Q534-C536 VanDerWaalsContact C-N 3.26Å; C536-L538 PolarHBondContact O-N 2.8Å; C536-V539 HydrophobicContact CB-CB 4.49Å; C536-V539 HydrophobicContact CB-CG2 3.94Å; C536-V539 WeakPolarHBondContact O-CB 3.49Å; C536-V539 PolarHBondContact O-N 3.25Å; C536-M598 HydrophobicContact CB-CG 4.46Å; C536-V601 HydrophobicContact CB-CB 4.35Å; C536-V601 HydrophobicContact CB-CG2 3.9Å
537	K	90.3	Very high	90.5	Very high	124 Å²	124	49.8 Å²	49.8	54%	0.539	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-7.4	-177.8	70.8	168	-167	160	0	116.1	C535 E563 C567	C535-K537 PolarHBondContact O-N 2.81Å; K537-E563 HydrophobicContact CB-CG 4.33Å; K537-E563 HydrophobicContact CD-CG 3.84Å; K537-E563 WeakPolarHBondContact CE-OE1 3.32Å; K537-E563 HydrophobicContact CG-CG 4.1Å; K537-E563 IonicContact NZ-OE1 3.2Å; K537-E563 PolarHBondContact NZ-OE1 3.1Å; K537-E563 WeakPolarHBondContact O-CG 3.46Å; K537-C567 WeakPolarHBondContact CE-SG 3.33Å; K537-C567 PolarHBondContact NZ-SG 3.04Å
538	L	92.8	Very high	90.3	Very high	2 Å²	2	51 Å²	51	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.9	174.7	-59.8	-173.4	0	0	0	112.8	C536 P559 D560 E563 L564 C567 F593 V594 S597	C536-L538 PolarHBondContact O-N 2.8Å; L538-P559 CarbonylContact O-C 3.5Å; L538-P559 WeakPolarHBondContact O-CA 3.35Å; L538-D560 PolarHBondContact O-N 3.06Å; L538-E563 HydrophobicContact CD2-CG 4.43Å; L538-L564 HydrophobicContact CD1-CD1 4.33Å; L538-L564 HydrophobicContact CD2-CB 4.39Å; L538-L564 HydrophobicContact CD2-CD1 4.4Å; L538-C567 HydrophobicContact CD2-CB 4.25Å; L538-F593 HydrophobicContact CD1-CD1 4.11Å; L538-F593 HydrophobicContact CD1-CE1 3.67Å; L538-F593 HydrophobicContact CD1-CZ 4.37Å; L538-V594 HydrophobicContact CD1-CG2 4.32Å; L538-S597 WeakPolarHBondContact CD1-OG 3.33Å
539	V	93.1	Very high	90.2	Very high	15 Å²	15	55.2 Å²	55.2	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.3	-177.9	177	0	0	0	0	109	C536 Q541 I542 V557 M598	C536-V539 HydrophobicContact CB-CB 4.49Å; C536-V539 HydrophobicContact CB-CG2 3.94Å; C536-V539 WeakPolarHBondContact O-CB 3.49Å; C536-V539 PolarHBondContact O-N 3.25Å; V539-Q541 WeakPolarHBondContact CG1-O 3.5Å; V539-I542 HydrophobicContact CG1-CB 3.9Å; V539-I542 HydrophobicContact CG1-CG2 4.04Å; V539-V557 HydrophobicContact CG1-CG1 4.4Å; V539-V557 HydrophobicContact CG2-CG1 4.07Å; V539-M598 HydrophobicContact CG2-CG 4Å; V539-M598 HydrophobicContact CG2-SD 4.01Å
540	S	92	Very high	90	Very high	74 Å²	74	59.1 Å²	59.1	52%	0.517	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-38.3	170.7	-171.9	0	0	0	0	111.5	V558	S540-V558 WeakPolarHBondContact CA-O 3.41Å; S540-V558 WeakPolarHBondContact CB-O 3.04Å; S540-V558 PolarHBondContact N-O 2.93Å
541	Q	93.3	Very high	89.8	Confident	127 Å²	127	62.4 Å²	62.4	59%	0.593	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.2	152.3	170.7	-54.6	179.8	-13.6	0	0	109.5	V539 V558	V539-Q541 WeakPolarHBondContact CG1-O 3.5Å; Q541-V558 HydrophobicContact CB-CB 3.98Å; Q541-V558 HydrophobicContact CB-CG2 4.08Å; Q541-V558 HydrophobicContact CG-CB 4.5Å; Q541-V558 PolarHBondContact N-O 3.42Å; Q541-V558 VanDerWaalsContact N-O 3.13Å; Q541-V558 PolarHBondContact O-N 2.99Å
542	I	94.6	Very high	90	Very high	14 Å²	14	66.1 Å²	66.1	7%	0.072	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	144.7	171	-177.9	171	0	0	0	108.5	E530 Y533 Q534 V539 V544 A555 I556 V557 M598	E530-I542 HydrophobicContact CB-CG2 4.02Å; E530-I542 HydrophobicContact CG-CG2 4.09Å; Y533-I542 HydrophobicContact CD2-CD1 3.83Å; Y533-I542 HydrophobicContact CG-CD1 3.89Å; Q534-I542 HydrophobicContact CG-CG2 3.97Å; V539-I542 HydrophobicContact CG1-CB 3.9Å; V539-I542 HydrophobicContact CG1-CG2 4.04Å; I542-V544 HydrophobicContact CD1-CG2 3.97Å; I542-V544 HydrophobicContact CG1-CG2 4.08Å; I542-A555 HydrophobicContact CD1-CB 3.95Å; I542-A555 HydrophobicContact CG1-CB 4.02Å; I542-I556 CarbonylContact C-O 3.49Å; I542-I556 WeakPolarHBondContact CA-O 3.32Å; I542-V557 HydrophobicContact CD1-CG2 4.19Å; I542-V557 HydrophobicContact CG1-CG2 4.14Å; I542-M598 HydrophobicContact CD1-CE 3.86Å
543	F	95.3	Very high	90.4	Very high	115 Å²	115	65.3 Å²	65.3	50%	0.504	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.7	167.9	171.8	-107.1	0	0	0	108.5	E530 D545 A555 I556	E530-F543 VanDerWaalsContact OE1-CA 3.3Å; E530-F543 WeakPolarHBondContact OE1-CA 3.49Å; F543-D545 HydrophobicContact CE1-CB 3.9Å; F543-D545 HydrophobicContact CZ-CB 4.27Å; F543-A555 CarbonylContact O-C 3.1Å; F543-A555 WeakPolarHBondContact O-CA 3.37Å; F543-I556 HydrophobicContact CD1-CD1 4.46Å; F543-I556 PolarHBondContact N-O 2.82Å; F543-I556 PolarHBondContact O-N 2.79Å
544	V	94.7	Very high	90.6	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.024	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	-177.3	176	0	0	0	0	110.9	F516 P526 V529 E530 I542 P553 V554 A555 V613	F516-V544 HydrophobicContact CE1-CG1 4.39Å; F516-V544 HydrophobicContact CZ-CG1 4.15Å; P526-V544 HydrophobicContact CB-CB 4.05Å; P526-V544 HydrophobicContact CB-CG1 4.23Å; P526-V544 WeakPolarHBondContact CB-O 3.42Å; V529-V544 HydrophobicContact CB-CG1 4.5Å; V529-V544 HydrophobicContact CG1-CG1 4.27Å; V529-V544 HydrophobicContact CG1-CG2 4.03Å; E530-V544 HydrophobicContact CG-CB 3.97Å; E530-V544 HydrophobicContact CG-CG2 3.58Å; E530-V544 PolarHBondContact OE1-N 3.19Å; I542-V544 HydrophobicContact CD1-CG2 3.97Å; I542-V544 HydrophobicContact CG1-CG2 4.08Å; V544-P553 HydrophobicContact CG1-CB 4.27Å; V544-V554 WeakPolarHBondContact CA-O 3.32Å; V544-A555 HydrophobicContact CG2-CB 4.18Å; V544-V613 HydrophobicContact CG1-CG1 4.14Å; V544-V613 HydrophobicContact CG2-CG1 4.35Å
545	D	93.6	Very high	90.9	Very high	86 Å²	86	65.5 Å²	65.5	46%	0.46	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	167.2	179.7	-174.2	27.8	0	0	0	110.7	F516 F543 P553 V554	F516-D545 VanDerWaalsContact CE1-C 3.44Å; F516-D545 VanDerWaalsContact CZ-C 3.42Å; F543-D545 HydrophobicContact CE1-CB 3.9Å; F543-D545 HydrophobicContact CZ-CB 4.27Å; D545-P553 WeakPolarHBondContact O-CA 3.41Å; D545-V554 PolarHBondContact N-O 3.34Å; D545-V554 PolarHBondContact O-N 3.06Å
546	G	88.9	Confident	91.4	Very high	15 Å²	15	68.8 Å²	68.8	16%	0.155	36%	0.356	C	S	.	.			trans	-171.4	167	177.8	0	0	0	0	0	113.9	F516	F516-G546 VanDerWaalsContact CE2-CA 3.49Å
547	N	85.9	Confident	91.8	Very high	80 Å²	80	70.8 Å²	70.8	43%	0.428	37%	0.368	S	S	.	.			trans	-135.5	141.3	-168.6	-166.3	-86.7	0	0	0	111.4	K517 K549 Q550	K517-N547 CarbonylContact O-C 3.39Å; N547-K549 PolarHBondContact O-N 2.9Å; N547-K549 WeakPolarHBondContact OD1-CB 3.38Å; N547-K549 PolarHBondContact OD1-N 2.95Å; N547-Q550 HydrophobicContact CB-CG 4.27Å; N547-Q550 PolarHBondContact O-N 3.42Å
548	S	83.1	Confident	92.1	Very high	79 Å²	79	67.7 Å²	67.7	55%	0.552	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-7.2	180	55.2	0	0	0	0	115	K517 A519	K517-S548 WeakPolarHBondContact O-CA 3.2Å; K517-S548 PolarHBondContact O-N 3.34Å; A519-S548 WeakPolarHBondContact CA-O 3.39Å
549	K	82.9	Confident	92.2	Very high	174 Å²	174	68.4 Å²	68.4	76%	0.757	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.7	170.9	-57.6	178.6	-178.2	177.9	0	114	N547	N547-K549 PolarHBondContact O-N 2.9Å; N547-K549 WeakPolarHBondContact OD1-CB 3.38Å; N547-K549 PolarHBondContact OD1-N 2.95Å
550	Q	86.9	Confident	92.2	Very high	83 Å²	83	70.6 Å²	70.6	39%	0.388	38%	0.375	S	S	.	.			trans	-114.7	148.7	-179.4	-59.6	-58.9	-17.7	0	0	110.9	L518 A519 N547	L518-Q550 WeakPolarHBondContact CA-O 3.13Å; A519-Q550 WeakPolarHBondContact CB-O 3.47Å; A519-Q550 PolarHBondContact N-O 2.78Å; N547-Q550 HydrophobicContact CB-CG 4.27Å; N547-Q550 PolarHBondContact O-N 3.42Å
551	N	88.8	Confident	92.3	Very high	100 Å²	100	69 Å²	69	54%	0.535	36%	0.359	S	S	.	.	S	Bend	trans	-95.1	3.3	179.9	64	-34.2	0	0	0	114.4	Q520	Q520-N551 PolarHBondContact NE2-O 2.86Å; Q520-N551 PolarHBondContact OE1-O 3.04Å
552	Y	91.8	Very high	92.3	Very high	119 Å²	119	68.4 Å²	68.4	47%	0.467	36%	0.364	S	S	.	.	S	Bend	trans	-135.5	148.4	177.9	52.4	-92.6	0	0	0	110.7	V554	Y552-V554 HydrophobicContact CD2-CG1 4.01Å; Y552-V554 HydrophobicContact CE2-CG1 3.94Å
553	P	94.3	Very high	92.2	Very high	1 Å²	1	69 Å²	69	1%	0.006	37%	0.367	C	S	.	.			trans	-76.6	167.8	164.5	34.1	-33	0	0	0	110.4	F516 V544 D545 F610 K612 V613	F516-P553 HydrophobicContact CE2-CB 3.91Å; F516-P553 HydrophobicContact CZ-CB 3.77Å; V544-P553 HydrophobicContact CG1-CB 4.27Å; D545-P553 WeakPolarHBondContact O-CA 3.41Å; P553-F610 WeakPolarHBondContact CD-O 3.39Å; P553-F610 WeakPolarHBondContact CG-O 3.39Å; P553-K612 WeakPolarHBondContact CD-O 3.45Å; P553-K612 VanDerWaalsContact CG-O 3.31Å; P553-K612 WeakPolarHBondContact CG-O 2.96Å; P553-V613 HydrophobicContact CB-CG1 3.99Å; P553-V613 HydrophobicContact CG-CG1 3.81Å
554	V	96.1	Very high	92.1	Very high	73 Å²	73	63.5 Å²	63.5	44%	0.442	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.4	174.3	-65.6	0	0	0	0	110.2	V544 D545 Y552	V544-V554 WeakPolarHBondContact CA-O 3.32Å; D545-V554 PolarHBondContact N-O 3.34Å; D545-V554 PolarHBondContact O-N 3.06Å; Y552-V554 HydrophobicContact CD2-CG1 4.01Å; Y552-V554 HydrophobicContact CE2-CG1 3.94Å
555	A	96.9	Very high	92.1	Very high	36 Å²	36	65.8 Å²	65.8	30%	0.298	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146	176	0	0	0	0	0	113.7	I542 F543 V544 V557 V613	I542-A555 HydrophobicContact CD1-CB 3.95Å; I542-A555 HydrophobicContact CG1-CB 4.02Å; F543-A555 CarbonylContact O-C 3.1Å; F543-A555 WeakPolarHBondContact O-CA 3.37Å; V544-A555 HydrophobicContact CG2-CB 4.18Å; A555-V557 HydrophobicContact CB-CG2 4.18Å; A555-V613 HydrophobicContact CB-CB 3.8Å; A555-V613 HydrophobicContact CB-CG1 3.96Å; A555-V613 HydrophobicContact CB-CG2 3.62Å
556	I	96.6	Very high	92	Very high	119 Å²	119	63.9 Å²	63.9	61%	0.61	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	124	160.4	-58.5	177.7	0	0	0	106.9	I542 F543	I542-I556 CarbonylContact C-O 3.49Å; I542-I556 WeakPolarHBondContact CA-O 3.32Å; F543-I556 HydrophobicContact CD1-CD1 4.46Å; F543-I556 PolarHBondContact N-O 2.82Å; F543-I556 PolarHBondContact O-N 2.79Å
557	V	96.4	Very high	92.2	Very high	46 Å²	46	64 Å²	64	28%	0.279	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.9	-177.2	-179.1	0	0	0	0	109.6	V539 I542 A555 M598	V539-V557 HydrophobicContact CG1-CG1 4.4Å; V539-V557 HydrophobicContact CG2-CG1 4.07Å; I542-V557 HydrophobicContact CD1-CG2 4.19Å; I542-V557 HydrophobicContact CG1-CG2 4.14Å; A555-V557 HydrophobicContact CB-CG2 4.18Å; V557-M598 HydrophobicContact CG1-SD 4.25Å; V557-M598 HydrophobicContact CG2-CE 3.83Å; V557-M598 HydrophobicContact CG2-SD 3.98Å
558	V	95.5	Very high	92.6	Very high	60 Å²	60	60.1 Å²	60.1	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.7	168.6	-175.3	0	0	0	0	107.8	S540 Q541	S540-V558 WeakPolarHBondContact CA-O 3.41Å; S540-V558 WeakPolarHBondContact CB-O 3.04Å; S540-V558 PolarHBondContact N-O 2.93Å; Q541-V558 HydrophobicContact CB-CB 3.98Å; Q541-V558 HydrophobicContact CB-CG2 4.08Å; Q541-V558 HydrophobicContact CG-CB 4.5Å; Q541-V558 PolarHBondContact N-O 3.42Å; Q541-V558 VanDerWaalsContact N-O 3.13Å; Q541-V558 PolarHBondContact O-N 2.99Å
559	P	94.9	Very high	93	Very high	17 Å²	17	58.6 Å²	58.6	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	151.4	-179.7	-21.1	33.3	0	0	0	113.6	L538 F561 L564	L538-P559 CarbonylContact O-C 3.5Å; L538-P559 WeakPolarHBondContact O-CA 3.35Å; P559-F561 HydrophobicContact CB-CD1 4.48Å; P559-F561 HydrophobicContact CB-CE1 4.28Å; P559-F561 HydrophobicContact CB-CE2 4.43Å; P559-F561 HydrophobicContact CB-CZ 4.26Å; P559-F561 HydrophobicContact CG-CE1 4.2Å; P559-F561 HydrophobicContact CG-CZ 4.01Å; P559-F561 WeakPolarHBondContact O-CD2 3.49Å; P559-F561 PolarHBondContact O-N 3.18Å; P559-F561 VanDerWaalsContact O-N 3.14Å; P559-L564 HydrophobicContact CB-CD2 3.84Å; P559-L564 HydrophobicContact CG-CD2 4.33Å
560	D	94.1	Very high	93.4	Very high	60 Å²	60	56.7 Å²	56.7	32%	0.321	31%	0.305	S	S	.	.			trans	-74	96.4	155	-175.9	-41	0	0	0	107.5	L538 T562 E563 L564	L538-D560 PolarHBondContact O-N 3.06Å; D560-T562 PolarHBondContact O-N 3.34Å; D560-T562 WeakPolarHBondContact OD1-CA 3.26Å; D560-T562 VanDerWaalsContact OD1-CB 3.29Å; D560-T562 WeakPolarHBondContact OD1-CB 3.24Å; D560-T562 PolarHBondContact OD1-N 3.07Å; D560-E563 HydrophobicContact CB-CB 4.28Å; D560-E563 PolarHBondContact O-N 3.1Å; D560-E563 PolarHBondContact OD1-N 3.03Å; D560-L564 WeakPolarHBondContact O-CB 3.43Å; D560-L564 PolarHBondContact O-N 2.88Å
561	F	94.2	Very high	93.5	Very high	41 Å²	41	55.6 Å²	55.6	18%	0.18	31%	0.311	C	S	.	.	H	α-helix	trans	-62.2	-23	-178.5	-69.2	-78.6	0	0	0	113.4	P559 L564 R565 D581 L584 S585	P559-F561 HydrophobicContact CB-CD1 4.48Å; P559-F561 HydrophobicContact CB-CE1 4.28Å; P559-F561 HydrophobicContact CB-CE2 4.43Å; P559-F561 HydrophobicContact CB-CZ 4.26Å; P559-F561 HydrophobicContact CG-CE1 4.2Å; P559-F561 HydrophobicContact CG-CZ 4.01Å; P559-F561 WeakPolarHBondContact O-CD2 3.49Å; P559-F561 PolarHBondContact O-N 3.18Å; P559-F561 VanDerWaalsContact O-N 3.14Å; F561-L564 HydrophobicContact CD1-CD2 4.28Å; F561-R565 VanDerWaalsContact O-CB 3.25Å; F561-R565 WeakPolarHBondContact O-CB 3.29Å; F561-R565 WeakPolarHBondContact O-CD 3.32Å; F561-R565 WeakPolarHBondContact O-CG 3.25Å; F561-R565 PolarHBondContact O-N 3Å; F561-D581 VanDerWaalsContact CB-OD1 3.3Å; F561-D581 WeakPolarHBondContact CB-OD1 3.48Å; F561-D581 HydrophobicContact CD1-CB 3.71Å; F561-D581 VanDerWaalsContact CD1-OD1 3.3Å; F561-D581 WeakPolarHBondContact CD1-OD1 3.32Å; F561-D581 HydrophobicContact CD2-CB 4.03Å; F561-D581 HydrophobicContact CE1-CB 3.65Å; F561-D581 WeakPolarHBondContact CE1-O 3.3Å; F561-D581 HydrophobicContact CE2-CB 3.98Å; F561-D581 HydrophobicContact CG-CB 3.91Å; F561-D581 VanDerWaalsContact CG-CG 3.43Å; F561-D581 VanDerWaalsContact CG-OD1 3.24Å; F561-D581 WeakPolarHBondContact CG-OD1 3Å; F561-D581 HydrophobicContact CZ-CB 3.79Å; F561-L584 HydrophobicContact CD1-CB 4.43Å; F561-L584 HydrophobicContact CD1-CD1 4.03Å; F561-L584 HydrophobicContact CE1-CB 4.2Å; F561-S585 WeakPolarHBondContact CZ-OG 3.2Å
562	T	92.4	Very high	93.4	Very high	114 Å²	114	53.7 Å²	53.7	70%	0.699	32%	0.315	S	S	*	.	H	α-helix	trans	-74.1	-51	177.4	-56.4	0	0	0	0	110.7	D560 S566	D560-T562 PolarHBondContact O-N 3.34Å; D560-T562 WeakPolarHBondContact OD1-CA 3.26Å; D560-T562 VanDerWaalsContact OD1-CB 3.29Å; D560-T562 WeakPolarHBondContact OD1-CB 3.24Å; D560-T562 PolarHBondContact OD1-N 3.07Å; T562-S566 WeakPolarHBondContact O-CB 3.44Å; T562-S566 PolarHBondContact O-N 2.58Å
563	E	92.1	Very high	93.2	Very high	26 Å²	26	51.1 Å²	51.1	12%	0.121	31%	0.308	C	S	.	.	H	α-helix	trans	-72.3	-31.5	178.9	-166.7	64.7	-142.9	0	0	111.3	K334 K537 L538 D560 S566 C567	K334-E563 IonicContact NZ-OE2 2.7Å; K334-E563 PolarHBondContact NZ-OE2 2.94Å; K537-E563 HydrophobicContact CB-CG 4.33Å; K537-E563 HydrophobicContact CD-CG 3.84Å; K537-E563 WeakPolarHBondContact CE-OE1 3.32Å; K537-E563 HydrophobicContact CG-CG 4.1Å; K537-E563 IonicContact NZ-OE1 3.2Å; K537-E563 PolarHBondContact NZ-OE1 3.1Å; K537-E563 WeakPolarHBondContact O-CG 3.46Å; L538-E563 HydrophobicContact CD2-CG 4.43Å; D560-E563 HydrophobicContact CB-CB 4.28Å; D560-E563 PolarHBondContact O-N 3.1Å; D560-E563 PolarHBondContact OD1-N 3.03Å; E563-S566 WeakPolarHBondContact O-CB 3.38Å; E563-S566 PolarHBondContact O-N 2.74Å; E563-C567 WeakPolarHBondContact O-CB 3.44Å; E563-C567 PolarHBondContact O-N 3.34Å; E563-C567 PolarHBondContact O-SG 3.27Å
564	L	94.8	Very high	92.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-50.1	171.5	179.8	61.9	0	0	0	112	L538 P559 D560 F561 S566 C567 L568 V590 F593 V594	L538-L564 HydrophobicContact CD1-CD1 4.33Å; L538-L564 HydrophobicContact CD2-CB 4.39Å; L538-L564 HydrophobicContact CD2-CD1 4.4Å; P559-L564 HydrophobicContact CB-CD2 3.84Å; P559-L564 HydrophobicContact CG-CD2 4.33Å; D560-L564 WeakPolarHBondContact O-CB 3.43Å; D560-L564 PolarHBondContact O-N 2.88Å; F561-L564 HydrophobicContact CD1-CD2 4.28Å; L564-S566 VanDerWaalsContact C-N 3.31Å; L564-S566 PolarHBondContact O-N 2.86Å; L564-C567 PolarHBondContact O-N 2.92Å; L564-L568 HydrophobicContact CD1-CD1 3.89Å; L564-L568 HydrophobicContact CD1-CG 4.03Å; L564-L568 HydrophobicContact CG-CD1 3.85Å; L564-L568 HydrophobicContact CG-CG 4.4Å; L564-L568 WeakPolarHBondContact O-CB 3.11Å; L564-L568 WeakPolarHBondContact O-CG 3.5Å; L564-L568 PolarHBondContact O-N 2.85Å; L564-V590 HydrophobicContact CD1-CG1 4.21Å; L564-V590 HydrophobicContact CD2-CG1 3.88Å; L564-V590 HydrophobicContact CG-CG1 4.43Å; L564-F593 HydrophobicContact CD1-CD1 4.13Å; L564-F593 HydrophobicContact CD1-CE1 4.31Å; L564-V594 HydrophobicContact CD1-CG2 3.73Å; L564-V594 HydrophobicContact CD2-CG2 4.47Å
565	R	94.5	Very high	92.5	Very high	52 Å²	52	57.1 Å²	57.1	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-60.6	-41.4	175.6	-72.4	163.8	-171.9	-83.5	6.3	111.4	F561 N569 C576 L579 D581 L584	F561-R565 VanDerWaalsContact O-CB 3.25Å; F561-R565 WeakPolarHBondContact O-CB 3.29Å; F561-R565 WeakPolarHBondContact O-CD 3.32Å; F561-R565 WeakPolarHBondContact O-CG 3.25Å; F561-R565 PolarHBondContact O-N 3Å; R565-N569 PolarHBondContact O-N 2.68Å; R565-N569 PolarHBondContact O-ND2 2.84Å; R565-C576 PolarHBondContact NH1-O 3.34Å; R565-L579 VanDerWaalsContact CZ-O 3.22Å; R565-L579 PolarHBondContact NH1-O 2.86Å; R565-L579 PolarHBondContact NH2-O 3.37Å; R565-D581 IonicContact CZ-OD1 3.43Å; R565-D581 IonicContact NE-OD1 3.38Å; R565-D581 PolarHBondContact NE-OD1 3.01Å; R565-D581 IonicContact NH2-OD1 2.67Å; R565-D581 PolarHBondContact NH2-OD1 3.47Å; R565-L584 HydrophobicContact CG-CD1 3.82Å
566	S	91.8	Very high	91.9	Very high	46 Å²	46	55.4 Å²	55.4	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-56.2	-51.5	172.7	177.7	0	0	0	0	111.3	T562 E563 L564 N570	T562-S566 WeakPolarHBondContact O-CB 3.44Å; T562-S566 PolarHBondContact O-N 2.58Å; E563-S566 WeakPolarHBondContact O-CB 3.38Å; E563-S566 PolarHBondContact O-N 2.74Å; L564-S566 VanDerWaalsContact C-N 3.31Å; L564-S566 PolarHBondContact O-N 2.86Å; S566-N570 VanDerWaalsContact O-CB 3.25Å; S566-N570 WeakPolarHBondContact O-CB 3.23Å; S566-N570 PolarHBondContact O-N 3.31Å; S566-N570 PolarHBondContact O-ND2 2.86Å; S566-N570 PolarHBondContact OG-ND2 3.34Å
567	C	92.6	Very high	91.2	Very high	16 Å²	16	54.2 Å²	54.2	11%	0.108	32%	0.32	C	S	.	.	H	α-helix	trans	-66.1	-45.5	-177.6	-67.4	0	0	0	0	113.4	K537 L538 E563 L564 N569 N570 A571 F593	K537-C567 WeakPolarHBondContact CE-SG 3.33Å; K537-C567 PolarHBondContact NZ-SG 3.04Å; L538-C567 HydrophobicContact CD2-CB 4.25Å; E563-C567 WeakPolarHBondContact O-CB 3.44Å; E563-C567 PolarHBondContact O-N 3.34Å; E563-C567 PolarHBondContact O-SG 3.27Å; L564-C567 PolarHBondContact O-N 2.92Å; C567-N569 VanDerWaalsContact C-N 3.34Å; C567-N569 PolarHBondContact O-N 3.5Å; C567-N570 PolarHBondContact O-N 3.05Å; C567-A571 VanDerWaalsContact O-CB 3.24Å; C567-A571 WeakPolarHBondContact O-CB 3.46Å; C567-A571 PolarHBondContact O-N 3.12Å; C567-F593 HydrophobicContact CB-CE1 3.8Å; C567-F593 HydrophobicContact CB-CZ 3.86Å
568	L	94.5	Very high	90.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.2	-39.1	-179.2	-71.8	169.6	0	0	0	112.8	L564 G572 I573 L574 L584 V590 F593	L564-L568 HydrophobicContact CD1-CD1 3.89Å; L564-L568 HydrophobicContact CD1-CG 4.03Å; L564-L568 HydrophobicContact CG-CD1 3.85Å; L564-L568 HydrophobicContact CG-CG 4.4Å; L564-L568 WeakPolarHBondContact O-CB 3.11Å; L564-L568 WeakPolarHBondContact O-CG 3.5Å; L564-L568 PolarHBondContact O-N 2.85Å; L568-G572 PolarHBondContact O-N 3.26Å; L568-I573 HydrophobicContact CD2-CB 4.14Å; L568-I573 HydrophobicContact CD2-CG2 3.84Å; L568-I573 PolarHBondContact O-N 2.94Å; L568-L574 CarbonylContact C-O 3.6Å; L568-L574 HydrophobicContact CB-CB 4.49Å; L568-L574 PolarHBondContact O-N 2.98Å; L568-L584 HydrophobicContact CD1-CD2 3.83Å; L568-V590 HydrophobicContact CD1-CG1 4.09Å; L568-V590 HydrophobicContact CD1-CG2 3.82Å; L568-V590 HydrophobicContact CD2-CG2 4.3Å; L568-F593 HydrophobicContact CD2-CB 4.43Å; L568-F593 HydrophobicContact CD2-CD1 3.68Å; L568-F593 HydrophobicContact CD2-CE1 4.21Å; L568-F593 HydrophobicContact CD2-CG 4.13Å; L568-F593 HydrophobicContact CG-CD1 4.31Å; L568-F593 HydrophobicContact CG-CE1 4.49Å
569	N	91.8	Very high	90.4	Very high	46 Å²	46	61 Å²	61	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-72.6	-47	175.3	-75.3	-76.8	0	0	0	111.5	R565 C567 A571 G572 H575 C576	R565-N569 PolarHBondContact O-N 2.68Å; R565-N569 PolarHBondContact O-ND2 2.84Å; C567-N569 VanDerWaalsContact C-N 3.34Å; C567-N569 PolarHBondContact O-N 3.5Å; N569-A571 VanDerWaalsContact C-N 3.29Å; N569-A571 PolarHBondContact O-N 3.42Å; N569-G572 PolarHBondContact O-N 2.86Å; N569-G572 VanDerWaalsContact O-N 3.09Å; N569-H575 WeakPolarHBondContact OD1-CA 3.34Å; N569-H575 PolarHBondContact OD1-ND1 2.88Å; N569-C576 PolarHBondContact ND2-SG 2.61Å
570	N	89.6	Confident	90.3	Very high	134 Å²	134	62.4 Å²	62.4	72%	0.717	35%	0.354	S	S	*	.	H	α-helix	trans	-66.4	-28.4	-177.9	-72.6	-33.8	0	0	0	113.4	S566 C567	S566-N570 VanDerWaalsContact O-CB 3.25Å; S566-N570 WeakPolarHBondContact O-CB 3.23Å; S566-N570 PolarHBondContact O-N 3.31Å; S566-N570 PolarHBondContact O-ND2 2.86Å; S566-N570 PolarHBondContact OG-ND2 3.34Å; C567-N570 PolarHBondContact O-N 3.05Å
571	A	89	Confident	90.3	Very high	61 Å²	61	63 Å²	63	50%	0.504	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.7	174.9	0	0	0	0	0	113.7	C567 N569 I573	C567-A571 VanDerWaalsContact O-CB 3.24Å; C567-A571 WeakPolarHBondContact O-CB 3.46Å; C567-A571 PolarHBondContact O-N 3.12Å; N569-A571 VanDerWaalsContact C-N 3.29Å; N569-A571 PolarHBondContact O-N 3.42Å; A571-I573 HydrophobicContact CB-CD1 3.67Å; A571-I573 HydrophobicContact CB-CG1 3.78Å; A571-I573 PolarHBondContact O-N 3.07Å
572	G	88	Confident	90.3	Very high	60 Å²	60	66.8 Å²	66.8	62%	0.619	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	15.7	-176.6	0	0	0	0	0	114.8	L568 N569	L568-G572 PolarHBondContact O-N 3.26Å; N569-G572 PolarHBondContact O-N 2.86Å; N569-G572 VanDerWaalsContact O-N 3.09Å
573	I	87.3	Confident	90.4	Very high	64 Å²	64	65.7 Å²	65.7	33%	0.328	36%	0.362	S	S	.	.	S	Bend	trans	-78	-42.8	-173.9	-65.2	172.2	0	0	0	111.2	L568 A571 V589 F593	L568-I573 HydrophobicContact CD2-CB 4.14Å; L568-I573 HydrophobicContact CD2-CG2 3.84Å; L568-I573 PolarHBondContact O-N 2.94Å; A571-I573 HydrophobicContact CB-CD1 3.67Å; A571-I573 HydrophobicContact CB-CG1 3.78Å; A571-I573 PolarHBondContact O-N 3.07Å; I573-V589 HydrophobicContact CG2-CG1 3.77Å; I573-F593 HydrophobicContact CD1-CD2 3.34Å; I573-F593 HydrophobicContact CD1-CE2 3.52Å; I573-F593 HydrophobicContact CD1-CG 4Å; I573-F593 HydrophobicContact CD1-CZ 4.31Å
574	L	88.8	Confident	90.5	Very high	45 Å²	45	64.4 Å²	64.4	24%	0.236	36%	0.356	C	S	.	.			trans	-157.2	123.4	-180	-174.7	64.6	0	0	0	111.2	L568 C576 L579 L584 V590	L568-L574 CarbonylContact C-O 3.6Å; L568-L574 HydrophobicContact CB-CB 4.49Å; L568-L574 PolarHBondContact O-N 2.98Å; L574-C576 VanDerWaalsContact C-N 3.27Å; L574-C576 HydrophobicContact CD2-CB 4.13Å; L574-C576 HydrophobicContact CG-CB 4.09Å; L574-C576 PolarHBondContact O-N 2.82Å; L574-L579 HydrophobicContact CD2-CD1 3.91Å; L574-L579 HydrophobicContact CG-CD1 4.49Å; L574-L584 HydrophobicContact CD2-CD2 4.25Å; L574-V590 HydrophobicContact CD2-CG2 3.65Å
575	H	86	Confident	90.4	Very high	155 Å²	155	66.8 Å²	66.8	72%	0.718	37%	0.372	S	S	*	.			trans	-75.9	78.5	171.4	-73.8	-45.1	0	0	0	111.4	N569	N569-H575 WeakPolarHBondContact OD1-CA 3.34Å; N569-H575 PolarHBondContact OD1-ND1 2.88Å
576	C	85.3	Confident	90.4	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	39%	0.393	C	S	.	.			trans	-95.4	14.4	-169	58.6	0	0	0	0	115.5	R565 N569 L574 K578 L579 L584	R565-C576 PolarHBondContact NH1-O 3.34Å; N569-C576 PolarHBondContact ND2-SG 2.61Å; L574-C576 VanDerWaalsContact C-N 3.27Å; L574-C576 HydrophobicContact CD2-CB 4.13Å; L574-C576 HydrophobicContact CG-CB 4.09Å; L574-C576 PolarHBondContact O-N 2.82Å; C576-K578 PolarHBondContact O-N 3.04Å; C576-K578 VanDerWaalsContact O-N 3.08Å; C576-L579 HydrophobicContact CB-CD1 3.92Å; C576-L579 HydrophobicContact CB-CG 4.42Å; C576-L579 PolarHBondContact O-N 3.07Å; C576-L584 HydrophobicContact CB-CD2 3.74Å
577	S	82.1	Confident	90.5	Very high	94 Å²	94	70.5 Å²	70.5	66%	0.657	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.6	-174.6	56.8	0	0	0	0	115.2
578	K	85.3	Confident	90.6	Very high	201 Å²	201	78.6 Å²	78.6	87%	0.874	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-9.4	178.2	-65	-173.1	178.6	-177.1	0	115.3	C576	C576-K578 PolarHBondContact O-N 3.04Å; C576-K578 VanDerWaalsContact O-N 3.08Å
579	L	89.7	Confident	90.6	Very high	48 Å²	48	82.5 Å²	82.5	25%	0.251	45%	0.446	S	S	.	.	S	Bend	trans	-73	146.9	179.8	-62.4	178.3	0	0	0	110.2	R565 L574 C576 E583 L584	R565-L579 VanDerWaalsContact CZ-O 3.22Å; R565-L579 PolarHBondContact NH1-O 2.86Å; R565-L579 PolarHBondContact NH2-O 3.37Å; L574-L579 HydrophobicContact CD2-CD1 3.91Å; L574-L579 HydrophobicContact CG-CD1 4.49Å; C576-L579 HydrophobicContact CB-CD1 3.92Å; C576-L579 HydrophobicContact CB-CG 4.42Å; C576-L579 PolarHBondContact O-N 3.07Å; L579-E583 HydrophobicContact CB-CB 4.23Å; L579-E583 HydrophobicContact CD2-CB 4.43Å; L579-L584 HydrophobicContact CB-CG 4.41Å; L579-L584 HydrophobicContact CD1-CD2 4.23Å
580	S	92.9	Very high	90.7	Very high	47 Å²	47	80.4 Å²	80.4	33%	0.329	43%	0.434	S	S	.	.			trans	-69.1	162.9	166.2	64.6	0	0	0	0	112	H582 E583 L584	S580-H582 PolarHBondContact O-N 3.38Å; S580-E583 VanDerWaalsContact CB-OE2 3.22Å; S580-E583 WeakPolarHBondContact CB-OE2 3.47Å; S580-E583 PolarHBondContact N-OE2 3.44Å; S580-E583 PolarHBondContact O-N 2.8Å; S580-E583 WeakPolarHBondContact OG-CG 3.28Å; S580-E583 PolarHBondContact OG-N 3.16Å; S580-E583 VanDerWaalsContact OG-N 3.13Å; S580-E583 PolarHBondContact OG-OE2 3.43Å; S580-L584 PolarHBondContact O-N 3.46Å; S580-L584 VanDerWaalsContact O-N 3.11Å
581	D	94.1	Very high	91	Very high	72 Å²	72	77.5 Å²	77.5	39%	0.385	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-32.5	174.1	-66.4	-24.7	0	0	0	111.4	F561 R565 L584 S585	F561-D581 VanDerWaalsContact CB-OD1 3.3Å; F561-D581 WeakPolarHBondContact CB-OD1 3.48Å; F561-D581 HydrophobicContact CD1-CB 3.71Å; F561-D581 VanDerWaalsContact CD1-OD1 3.3Å; F561-D581 WeakPolarHBondContact CD1-OD1 3.32Å; F561-D581 HydrophobicContact CD2-CB 4.03Å; F561-D581 HydrophobicContact CE1-CB 3.65Å; F561-D581 WeakPolarHBondContact CE1-O 3.3Å; F561-D581 HydrophobicContact CE2-CB 3.98Å; F561-D581 HydrophobicContact CG-CB 3.91Å; F561-D581 VanDerWaalsContact CG-CG 3.43Å; F561-D581 VanDerWaalsContact CG-OD1 3.24Å; F561-D581 WeakPolarHBondContact CG-OD1 3Å; F561-D581 HydrophobicContact CZ-CB 3.79Å; R565-D581 IonicContact CZ-OD1 3.43Å; R565-D581 IonicContact NE-OD1 3.38Å; R565-D581 PolarHBondContact NE-OD1 3.01Å; R565-D581 IonicContact NH2-OD1 2.67Å; R565-D581 PolarHBondContact NH2-OD1 3.47Å; D581-L584 PolarHBondContact O-N 2.87Å; D581-S585 PolarHBondContact O-N 3.26Å; D581-S585 PolarHBondContact O-OG 2.8Å
582	H	93.8	Very high	91.3	Very high	120 Å²	120	80.5 Å²	80.5	56%	0.556	42%	0.42	S	S	*	.	H	α-helix	trans	-64.1	-47.1	173.6	176.4	-93.7	0	0	0	112.5	S580 L584 S585 Q586	S580-H582 PolarHBondContact O-N 3.38Å; H582-L584 VanDerWaalsContact C-N 3.29Å; H582-L584 PolarHBondContact O-N 3.25Å; H582-S585 PolarHBondContact O-N 3.46Å; H582-Q586 VanDerWaalsContact CE1-CD 3.41Å; H582-Q586 PolarHBondContact CE1-NE2 3.47Å; H582-Q586 PolarHBondContact NE2-NE2 2.78Å; H582-Q586 VanDerWaalsContact NE2-NE2 3.19Å; H582-Q586 PolarHBondContact O-N 2.82Å; H582-Q586 VanDerWaalsContact O-N 3.09Å
583	E	93.5	Very high	91.6	Very high	91 Å²	91	79.3 Å²	79.3	43%	0.425	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-33.4	176	-74	162.1	101.3	0	0	112.6	L579 S580 N587	L579-E583 HydrophobicContact CB-CB 4.23Å; L579-E583 HydrophobicContact CD2-CB 4.43Å; S580-E583 VanDerWaalsContact CB-OE2 3.22Å; S580-E583 WeakPolarHBondContact CB-OE2 3.47Å; S580-E583 PolarHBondContact N-OE2 3.44Å; S580-E583 PolarHBondContact O-N 2.8Å; S580-E583 WeakPolarHBondContact OG-CG 3.28Å; S580-E583 PolarHBondContact OG-N 3.16Å; S580-E583 VanDerWaalsContact OG-N 3.13Å; S580-E583 PolarHBondContact OG-OE2 3.43Å; E583-N587 PolarHBondContact O-N 2.96Å
584	L	94.1	Very high	92	Very high	0 Å²	0	76.8 Å²	76.8	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-49	172.4	-80.9	175.2	0	0	0	111.6	F561 R565 L568 L574 C576 L579 S580 D581 H582 Q586 N587 V590	F561-L584 HydrophobicContact CD1-CB 4.43Å; F561-L584 HydrophobicContact CD1-CD1 4.03Å; F561-L584 HydrophobicContact CE1-CB 4.2Å; R565-L584 HydrophobicContact CG-CD1 3.82Å; L568-L584 HydrophobicContact CD1-CD2 3.83Å; L574-L584 HydrophobicContact CD2-CD2 4.25Å; C576-L584 HydrophobicContact CB-CD2 3.74Å; L579-L584 HydrophobicContact CB-CG 4.41Å; L579-L584 HydrophobicContact CD1-CD2 4.23Å; S580-L584 PolarHBondContact O-N 3.46Å; S580-L584 VanDerWaalsContact O-N 3.11Å; D581-L584 PolarHBondContact O-N 2.87Å; H582-L584 VanDerWaalsContact C-N 3.29Å; H582-L584 PolarHBondContact O-N 3.25Å; L584-Q586 VanDerWaalsContact C-N 3.26Å; L584-Q586 PolarHBondContact O-N 3.3Å; L584-N587 WeakPolarHBondContact O-CB 2.8Å; L584-N587 PolarHBondContact O-N 3.02Å; L584-V590 HydrophobicContact CD2-CG1 4.34Å; L584-V590 HydrophobicContact CD2-CG2 3.81Å
585	S	93.6	Very high	92.4	Very high	50 Å²	50	78.2 Å²	78.2	35%	0.35	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-23.8	179.8	-62.7	0	0	0	0	114.2	F561 D581 H582 N591	F561-S585 WeakPolarHBondContact CZ-OG 3.2Å; D581-S585 PolarHBondContact O-N 3.26Å; D581-S585 PolarHBondContact O-OG 2.8Å; H582-S585 PolarHBondContact O-N 3.46Å; S585-N591 PolarHBondContact O-ND2 2.73Å; S585-N591 PolarHBondContact O-OD1 3.2Å
586	Q	94.1	Very high	92.8	Very high	133 Å²	133	75.9 Å²	75.9	62%	0.621	38%	0.383	S	S	*	.	H	α-helix	trans	-84.1	-11.5	173.2	-69.1	-166.4	-15.2	0	0	113.5	H582 L584 K588	H582-Q586 VanDerWaalsContact CE1-CD 3.41Å; H582-Q586 PolarHBondContact CE1-NE2 3.47Å; H582-Q586 PolarHBondContact NE2-NE2 2.78Å; H582-Q586 VanDerWaalsContact NE2-NE2 3.19Å; H582-Q586 PolarHBondContact O-N 2.82Å; H582-Q586 VanDerWaalsContact O-N 3.09Å; L584-Q586 VanDerWaalsContact C-N 3.26Å; L584-Q586 PolarHBondContact O-N 3.3Å; Q586-K588 PolarHBondContact O-N 2.56Å
587	N	93.8	Very high	93.3	Very high	44 Å²	44	77.3 Å²	77.3	24%	0.235	39%	0.393	C	S	.	.			trans	-83.6	114.6	-173.7	-172.3	-42.3	0	0	0	112	E583 L584 V589 V590 N591	E583-N587 PolarHBondContact O-N 2.96Å; L584-N587 WeakPolarHBondContact O-CB 2.8Å; L584-N587 PolarHBondContact O-N 3.02Å; N587-V589 VanDerWaalsContact C-N 3.25Å; N587-V589 PolarHBondContact O-N 3.31Å; N587-V589 WeakPolarHBondContact OD1-CB 3.3Å; N587-V589 PolarHBondContact OD1-N 2.98Å; N587-V590 HydrophobicContact CB-CB 4.03Å; N587-V590 HydrophobicContact CB-CG2 3.75Å; N587-V590 WeakPolarHBondContact O-CB 3.46Å; N587-V590 PolarHBondContact O-N 2.9Å; N587-V590 PolarHBondContact OD1-N 3.07Å; N587-N591 PolarHBondContact O-N 3.26Å
588	K	95	Very high	93.9	Very high	185 Å²	185	73 Å²	73	80%	0.804	36%	0.363	S	S	*	.	H	α-helix	trans	-58.3	-30.3	-179	-65.3	-175.4	179.1	-178.8	0	114.3	Q586 K592	Q586-K588 PolarHBondContact O-N 2.56Å; K588-K592 WeakPolarHBondContact O-CB 3.14Å; K588-K592 PolarHBondContact O-N 3.21Å
589	V	94	Very high	94.4	Very high	83 Å²	83	66 Å²	66	50%	0.503	33%	0.334	S	S	.	.	H	α-helix	trans	-72	-40.6	176.7	-176.5	0	0	0	0	110.4	I573 N587 F593	I573-V589 HydrophobicContact CG2-CG1 3.77Å; N587-V589 VanDerWaalsContact C-N 3.25Å; N587-V589 PolarHBondContact O-N 3.31Å; N587-V589 WeakPolarHBondContact OD1-CB 3.3Å; N587-V589 PolarHBondContact OD1-N 2.98Å; V589-F593 WeakPolarHBondContact O-CB 3.38Å; V589-F593 PolarHBondContact O-N 3.01Å
590	V	95	Very high	94.6	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-47.9	176.1	176.1	0	0	0	0	110.6	L564 L568 L574 L584 N587 K592 F593 V594	L564-V590 HydrophobicContact CD1-CG1 4.21Å; L564-V590 HydrophobicContact CD2-CG1 3.88Å; L564-V590 HydrophobicContact CG-CG1 4.43Å; L568-V590 HydrophobicContact CD1-CG1 4.09Å; L568-V590 HydrophobicContact CD1-CG2 3.82Å; L568-V590 HydrophobicContact CD2-CG2 4.3Å; L574-V590 HydrophobicContact CD2-CG2 3.65Å; L584-V590 HydrophobicContact CD2-CG1 4.34Å; L584-V590 HydrophobicContact CD2-CG2 3.81Å; N587-V590 HydrophobicContact CB-CB 4.03Å; N587-V590 HydrophobicContact CB-CG2 3.75Å; N587-V590 WeakPolarHBondContact O-CB 3.46Å; N587-V590 PolarHBondContact O-N 2.9Å; N587-V590 PolarHBondContact OD1-N 3.07Å; V590-K592 VanDerWaalsContact C-N 3.31Å; V590-K592 PolarHBondContact O-N 3.32Å; V590-F593 WeakPolarHBondContact O-CB 3.3Å; V590-F593 PolarHBondContact O-N 3.37Å; V590-F593 VanDerWaalsContact O-N 3.12Å; V590-V594 WeakPolarHBondContact O-CG2 2.96Å; V590-V594 PolarHBondContact O-N 3.43Å
591	N	94.8	Very high	94.5	Very high	73 Å²	73	65.1 Å²	65.1	39%	0.39	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-37.5	-179.8	-65.1	-5.6	0	0	0	111.6	S585 N587 V594 L595	S585-N591 PolarHBondContact O-ND2 2.73Å; S585-N591 PolarHBondContact O-OD1 3.2Å; N587-N591 PolarHBondContact O-N 3.26Å; N591-V594 PolarHBondContact O-N 2.94Å; N591-L595 WeakPolarHBondContact O-CB 2.95Å; N591-L595 PolarHBondContact O-N 2.79Å
592	K	95.4	Very high	94.4	Very high	124 Å²	124	61.7 Å²	61.7	54%	0.539	32%	0.317	S	S	.	.	H	α-helix	trans	-61.3	-47.5	170.9	179.2	177.1	170	-179.8	0	111.9	K588 V590 V594 L595 E596	K588-K592 WeakPolarHBondContact O-CB 3.14Å; K588-K592 PolarHBondContact O-N 3.21Å; V590-K592 VanDerWaalsContact C-N 3.31Å; V590-K592 PolarHBondContact O-N 3.32Å; K592-V594 VanDerWaalsContact C-N 3.33Å; K592-V594 PolarHBondContact O-N 2.82Å; K592-L595 PolarHBondContact O-N 2.59Å; K592-E596 WeakPolarHBondContact CE-OE1 3.41Å; K592-E596 HydrophobicContact CG-CG 4.34Å; K592-E596 IonicContact NZ-OE1 3.38Å; K592-E596 PolarHBondContact NZ-OE1 3.19Å; K592-E596 WeakPolarHBondContact O-CG 3.3Å; K592-E596 PolarHBondContact O-N 2.98Å
593	F	95.5	Very high	94.3	Very high	35 Å²	35	58.8 Å²	58.8	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-61.9	-38.6	179.4	174.2	-106	0	0	0	112.9	L538 L564 C567 L568 I573 V589 V590 S597	L538-F593 HydrophobicContact CD1-CD1 4.11Å; L538-F593 HydrophobicContact CD1-CE1 3.67Å; L538-F593 HydrophobicContact CD1-CZ 4.37Å; L564-F593 HydrophobicContact CD1-CD1 4.13Å; L564-F593 HydrophobicContact CD1-CE1 4.31Å; C567-F593 HydrophobicContact CB-CE1 3.8Å; C567-F593 HydrophobicContact CB-CZ 3.86Å; L568-F593 HydrophobicContact CD2-CB 4.43Å; L568-F593 HydrophobicContact CD2-CD1 3.68Å; L568-F593 HydrophobicContact CD2-CE1 4.21Å; L568-F593 HydrophobicContact CD2-CG 4.13Å; L568-F593 HydrophobicContact CG-CD1 4.31Å; L568-F593 HydrophobicContact CG-CE1 4.49Å; I573-F593 HydrophobicContact CD1-CD2 3.34Å; I573-F593 HydrophobicContact CD1-CE2 3.52Å; I573-F593 HydrophobicContact CD1-CG 4Å; I573-F593 HydrophobicContact CD1-CZ 4.31Å; V589-F593 WeakPolarHBondContact O-CB 3.38Å; V589-F593 PolarHBondContact O-N 3.01Å; V590-F593 WeakPolarHBondContact O-CB 3.3Å; V590-F593 PolarHBondContact O-N 3.37Å; V590-F593 VanDerWaalsContact O-N 3.12Å; F593-S597 WeakPolarHBondContact O-CB 3.18Å; F593-S597 PolarHBondContact O-N 3.01Å; F593-S597 VanDerWaalsContact O-N 3.07Å; F593-S597 PolarHBondContact O-OG 2.74Å
594	V	96	Very high	94	Very high	12 Å²	12	62 Å²	62	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-64.2	-47.8	172.8	173.3	0	0	0	0	110.5	L538 L564 V590 N591 K592 E596 S597 M598	L538-V594 HydrophobicContact CD1-CG2 4.32Å; L564-V594 HydrophobicContact CD1-CG2 3.73Å; L564-V594 HydrophobicContact CD2-CG2 4.47Å; V590-V594 WeakPolarHBondContact O-CG2 2.96Å; V590-V594 PolarHBondContact O-N 3.43Å; N591-V594 PolarHBondContact O-N 2.94Å; K592-V594 VanDerWaalsContact C-N 3.33Å; K592-V594 PolarHBondContact O-N 2.82Å; V594-E596 PolarHBondContact O-N 2.75Å; V594-S597 WeakPolarHBondContact O-CB 3.26Å; V594-S597 PolarHBondContact O-N 3.23Å; V594-M598 HydrophobicContact CG1-CG 4.43Å; V594-M598 HydrophobicContact CG1-SD 3.91Å; V594-M598 WeakPolarHBondContact O-CB 3.47Å; V594-M598 WeakPolarHBondContact O-CG 3.27Å; V594-M598 PolarHBondContact O-N 3.47Å
595	L	95.7	Very high	93.6	Very high	75 Å²	75	64.4 Å²	64.4	39%	0.393	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-38.2	-180	-176.5	61.5	0	0	0	113.1	N591 K592 M598 N599 V613	N591-L595 WeakPolarHBondContact O-CB 2.95Å; N591-L595 PolarHBondContact O-N 2.79Å; K592-L595 PolarHBondContact O-N 2.59Å; L595-M598 PolarHBondContact O-N 2.82Å; L595-N599 WeakPolarHBondContact O-CB 3.19Å; L595-N599 PolarHBondContact O-N 2.89Å; L595-N599 PolarHBondContact O-ND2 2.77Å; L595-V613 WeakPolarHBondContact CD1-O 3.14Å
596	E	95.9	Very high	93.2	Very high	105 Å²	105	69.8 Å²	69.8	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-65.6	-41.7	173.7	-74.1	176.6	152.4	0	0	111.2	K592 V594 N599 A600	K592-E596 WeakPolarHBondContact CE-OE1 3.41Å; K592-E596 HydrophobicContact CG-CG 4.34Å; K592-E596 IonicContact NZ-OE1 3.38Å; K592-E596 PolarHBondContact NZ-OE1 3.19Å; K592-E596 WeakPolarHBondContact O-CG 3.3Å; K592-E596 PolarHBondContact O-N 2.98Å; V594-E596 PolarHBondContact O-N 2.75Å; E596-N599 PolarHBondContact O-N 2.67Å; E596-A600 PolarHBondContact O-N 3.02Å
597	S	94.2	Very high	92.8	Very high	30 Å²	30	64 Å²	64	21%	0.21	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-38.6	175.6	-59	0	0	0	0	112.7	L538 F593 V594 V601	L538-S597 WeakPolarHBondContact CD1-OG 3.33Å; F593-S597 WeakPolarHBondContact O-CB 3.18Å; F593-S597 PolarHBondContact O-N 3.01Å; F593-S597 VanDerWaalsContact O-N 3.07Å; F593-S597 PolarHBondContact O-OG 2.74Å; V594-S597 WeakPolarHBondContact O-CB 3.26Å; V594-S597 PolarHBondContact O-N 3.23Å; S597-V601 PolarHBondContact O-N 3.48Å
598	M	96.5	Very high	92.5	Very high	5 Å²	5	66.7 Å²	66.7	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-66.4	-44	173.2	-77.7	177	63.2	0	0	111.2	Y533 C536 V539 I542 V557 V594 L595 A600 V601 A602 V613	Y533-M598 HydrophobicContact CD1-CB 3.78Å; Y533-M598 HydrophobicContact CD1-CE 3.55Å; Y533-M598 HydrophobicContact CD1-CG 4.06Å; Y533-M598 HydrophobicContact CD2-CE 4.44Å; Y533-M598 HydrophobicContact CE1-CB 3.72Å; Y533-M598 HydrophobicContact CE1-CE 3.85Å; Y533-M598 HydrophobicContact CE1-CG 4.46Å; Y533-M598 WeakPolarHBondContact CE1-O 3.37Å; Y533-M598 HydrophobicContact CG-CE 3.87Å; C536-M598 HydrophobicContact CB-CG 4.46Å; V539-M598 HydrophobicContact CG2-CG 4Å; V539-M598 HydrophobicContact CG2-SD 4.01Å; I542-M598 HydrophobicContact CD1-CE 3.86Å; V557-M598 HydrophobicContact CG1-SD 4.25Å; V557-M598 HydrophobicContact CG2-CE 3.83Å; V557-M598 HydrophobicContact CG2-SD 3.98Å; V594-M598 HydrophobicContact CG1-CG 4.43Å; V594-M598 HydrophobicContact CG1-SD 3.91Å; V594-M598 WeakPolarHBondContact O-CB 3.47Å; V594-M598 WeakPolarHBondContact O-CG 3.27Å; V594-M598 PolarHBondContact O-N 3.47Å; L595-M598 PolarHBondContact O-N 2.82Å; M598-A600 VanDerWaalsContact C-N 3.3Å; M598-A600 PolarHBondContact O-N 2.95Å; M598-V601 PolarHBondContact O-N 3.18Å; M598-A602 PolarHBondContact O-N 2.79Å; M598-V613 HydrophobicContact CE-CG2 3.95Å
599	N	95.6	Very high	92.3	Very high	52 Å²	52	63 Å²	63	28%	0.278	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-33.2	178.6	-93.8	-80.8	0	0	0	113.4	L595 E596 A603	L595-N599 WeakPolarHBondContact O-CB 3.19Å; L595-N599 PolarHBondContact O-N 2.89Å; L595-N599 PolarHBondContact O-ND2 2.77Å; E596-N599 PolarHBondContact O-N 2.67Å; N599-A603 WeakPolarHBondContact O-CB 3.31Å; N599-A603 PolarHBondContact O-N 2.65Å
600	A	93.8	Very high	92	Very high	59 Å²	59	60.1 Å²	60.1	49%	0.488	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-47.1	172.2	0	0	0	0	0	111.8	E596 M598 A603 E604	E596-A600 PolarHBondContact O-N 3.02Å; M598-A600 VanDerWaalsContact C-N 3.3Å; M598-A600 PolarHBondContact O-N 2.95Å; A600-A603 PolarHBondContact O-N 3.12Å; A600-E604 PolarHBondContact O-N 3.12Å
601	V	90.6	Very high	91.9	Very high	19 Å²	19	60.6 Å²	60.6	12%	0.115	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-40.4	177.5	175.4	0	0	0	0	111.5	V532 C535 C536 S597 M598 A603 E604 N605	V532-V601 HydrophobicContact CG1-CG1 4.27Å; V532-V601 VanDerWaalsContact O-CG1 3.31Å; V532-V601 WeakPolarHBondContact O-CG1 3.5Å; C535-V601 HydrophobicContact CB-CG1 4.01Å; C536-V601 HydrophobicContact CB-CB 4.35Å; C536-V601 HydrophobicContact CB-CG2 3.9Å; S597-V601 PolarHBondContact O-N 3.48Å; M598-V601 PolarHBondContact O-N 3.18Å; V601-A603 VanDerWaalsContact C-N 3.31Å; V601-A603 PolarHBondContact O-N 3.19Å; V601-E604 PolarHBondContact O-N 3.48Å; V601-N605 WeakPolarHBondContact O-CB 3.31Å; V601-N605 PolarHBondContact O-N 2.94Å; V601-N605 PolarHBondContact O-ND2 2.85Å
602	A	91.8	Very high	91.8	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.5	-37.1	174.3	0	0	0	0	0	112.7	Y533 M598 M606 L607 K612	Y533-A602 HydrophobicContact CE1-CB 3.79Å; M598-A602 PolarHBondContact O-N 2.79Å; A602-M606 PolarHBondContact O-N 2.7Å; A602-L607 HydrophobicContact CB-CB 4.31Å; A602-L607 HydrophobicContact CB-CD1 3.91Å; A602-L607 HydrophobicContact CB-CG 4.45Å; A602-L607 PolarHBondContact O-N 2.74Å; A602-K612 HydrophobicContact CB-CD 4.48Å; A602-K612 HydrophobicContact CB-CG 4.32Å
603	A	91.2	Very high	91.7	Very high	58 Å²	58	56.4 Å²	56.4	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-72.1	-43.1	175.4	0	0	0	0	0	112.4	N599 A600 V601 N605 M606	N599-A603 WeakPolarHBondContact O-CB 3.31Å; N599-A603 PolarHBondContact O-N 2.65Å; A600-A603 PolarHBondContact O-N 3.12Å; V601-A603 VanDerWaalsContact C-N 3.31Å; V601-A603 PolarHBondContact O-N 3.19Å; A603-N605 VanDerWaalsContact C-N 3.28Å; A603-N605 PolarHBondContact O-N 2.75Å; A603-M606 PolarHBondContact O-N 3.43Å; A603-M606 VanDerWaalsContact O-N 3.15Å
604	E	88.5	Confident	91.5	Very high	159 Å²	159	57.5 Å²	57.5	74%	0.743	32%	0.316	S	S	*	.	H	α-helix	trans	-60.9	-36.6	176.7	-175.5	171.9	-158.5	0	0	112.1	A600 V601	A600-E604 PolarHBondContact O-N 3.12Å; V601-E604 PolarHBondContact O-N 3.48Å
605	N	85.1	Confident	91.3	Very high	50 Å²	50	59.8 Å²	59.8	27%	0.267	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	8.6	178.4	-68.6	-90.7	0	0	0	113.9	V532 V601 A603 L607	V532-N605 HydrophobicContact CB-CB 4.41Å; V532-N605 HydrophobicContact CG1-CB 3.57Å; V532-N605 HydrophobicContact CG2-CB 3.94Å; V601-N605 WeakPolarHBondContact O-CB 3.31Å; V601-N605 PolarHBondContact O-N 2.94Å; V601-N605 PolarHBondContact O-ND2 2.85Å; A603-N605 VanDerWaalsContact C-N 3.28Å; A603-N605 PolarHBondContact O-N 2.75Å; N605-L607 PolarHBondContact O-N 2.71Å
606	M	85.4	Confident	91.1	Very high	163 Å²	163	59 Å²	59	80%	0.803	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	37.5	174.8	-52.6	178	-69.1	0	0	115.1	A602 A603 K608	A602-M606 PolarHBondContact O-N 2.7Å; A603-M606 PolarHBondContact O-N 3.43Å; A603-M606 VanDerWaalsContact O-N 3.15Å; M606-K608 PolarHBondContact O-N 3.23Å
607	L	86	Confident	90.8	Very high	12 Å²	12	56.3 Å²	56.3	6%	0.063	32%	0.316	C	S	.	.			trans	-61.5	133.9	167.1	-72.4	-176.7	0	0	0	110.1	V529 V532 Y533 A602 N605 E611 K612	V529-L607 HydrophobicContact CG1-CD1 4.27Å; V529-L607 HydrophobicContact CG2-CD2 4.45Å; V532-L607 HydrophobicContact CB-CD1 4.03Å; V532-L607 HydrophobicContact CB-CD2 4.4Å; V532-L607 HydrophobicContact CB-CG 4.28Å; V532-L607 HydrophobicContact CG1-CD1 3.74Å; V532-L607 HydrophobicContact CG1-CG 3.96Å; V532-L607 HydrophobicContact CG2-CD2 4.04Å; V532-L607 HydrophobicContact CG2-CG 4.27Å; Y533-L607 HydrophobicContact CD2-CD1 4.47Å; Y533-L607 HydrophobicContact CE2-CD1 3.89Å; A602-L607 HydrophobicContact CB-CB 4.31Å; A602-L607 HydrophobicContact CB-CD1 3.91Å; A602-L607 HydrophobicContact CB-CG 4.45Å; A602-L607 PolarHBondContact O-N 2.74Å; N605-L607 PolarHBondContact O-N 2.71Å; L607-E611 HydrophobicContact CB-CB 4.19Å; L607-E611 HydrophobicContact CD2-CB 4.21Å; L607-K612 HydrophobicContact CB-CG 4.44Å
608	K	87	Confident	90.6	Very high	101 Å²	101	57.9 Å²	57.9	44%	0.439	32%	0.322	S	S	.	.			trans	-61.5	159.6	175.5	-60.9	178.6	175.9	-176.3	0	110.1	E522 M606 F610 E611	E522-K608 IonicContact OE2-NZ 2.69Å; M606-K608 PolarHBondContact O-N 3.23Å; K608-F610 VanDerWaalsContact C-N 3.26Å; K608-F610 HydrophobicContact CB-CD1 4.18Å; K608-F610 HydrophobicContact CB-CE1 4.06Å; K608-F610 HydrophobicContact CB-CZ 4.4Å; K608-F610 HydrophobicContact CD-CD1 4.22Å; K608-F610 HydrophobicContact CD-CE1 3.3Å; K608-F610 HydrophobicContact CD-CE2 4.21Å; K608-F610 HydrophobicContact CD-CZ 3.3Å; K608-F610 HydrophobicContact CG-CE1 4.36Å; K608-F610 PolarHBondContact O-N 2.59Å; K608-E611 HydrophobicContact CB-CB 4.38Å; K608-E611 HydrophobicContact CB-CG 3.94Å; K608-E611 HydrophobicContact CG-CG 4.48Å; K608-E611 PolarHBondContact N-OE2 3.34Å; K608-E611 WeakPolarHBondContact O-CB 3.09Å; K608-E611 PolarHBondContact O-N 3.48Å
609	S	89.8	Confident	90.2	Very high	108 Å²	108	61.5 Å²	61.5	76%	0.755	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-54.9	-38.2	179.4	46.8	0	0	0	0	113.9	E611	S609-E611 VanDerWaalsContact C-N 3.35Å
610	F	89.2	Confident	89.8	Confident	21 Å²	21	62.1 Å²	62.1	9%	0.092	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-83.5	-5.2	177.3	69.9	-104.2	0	0	0	114.4	L518 E522 V524 P553 K608 K612	L518-F610 HydrophobicContact CD1-CB 4.08Å; L518-F610 HydrophobicContact CD1-CD2 4.19Å; E522-F610 HydrophobicContact CB-CD1 4.15Å; E522-F610 HydrophobicContact CB-CD2 3.94Å; E522-F610 HydrophobicContact CB-CE1 3.87Å; E522-F610 HydrophobicContact CB-CE2 3.71Å; E522-F610 HydrophobicContact CB-CG 4.17Å; E522-F610 HydrophobicContact CB-CZ 3.64Å; E522-F610 HydrophobicContact CG-CD1 3.85Å; E522-F610 HydrophobicContact CG-CE1 3.46Å; E522-F610 VanDerWaalsContact CG-CE1 3.46Å; E522-F610 HydrophobicContact CG-CE2 4.26Å; E522-F610 HydrophobicContact CG-CG 4.36Å; E522-F610 HydrophobicContact CG-CZ 3.7Å; E522-F610 VanDerWaalsContact OE1-CE1 3.26Å; E522-F610 WeakPolarHBondContact OE1-CE1 3.46Å; E522-F610 WeakPolarHBondContact OE2-CE1 2.89Å; E522-F610 WeakPolarHBondContact OE2-CZ 3.2Å; V524-F610 HydrophobicContact CG2-CD2 3.88Å; V524-F610 HydrophobicContact CG2-CE2 4.15Å; P553-F610 WeakPolarHBondContact CD-O 3.39Å; P553-F610 WeakPolarHBondContact CG-O 3.39Å; K608-F610 VanDerWaalsContact C-N 3.26Å; K608-F610 HydrophobicContact CB-CD1 4.18Å; K608-F610 HydrophobicContact CB-CE1 4.06Å; K608-F610 HydrophobicContact CB-CZ 4.4Å; K608-F610 HydrophobicContact CD-CD1 4.22Å; K608-F610 HydrophobicContact CD-CE1 3.3Å; K608-F610 HydrophobicContact CD-CE2 4.21Å; K608-F610 HydrophobicContact CD-CZ 3.3Å; K608-F610 HydrophobicContact CG-CE1 4.36Å; K608-F610 PolarHBondContact O-N 2.59Å; F610-K612 VanDerWaalsContact C-N 3.31Å
611	E	91.3	Very high	89.5	Confident	11 Å²	11	62.4 Å²	62.4	5%	0.051	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-92.9	4.9	176	-65.3	176.8	149.5	0	0	111.7	K528 V529 L607 K608 S609	K528-E611 IonicContact NZ-OE1 3.54Å; K528-E611 PolarHBondContact NZ-OE1 3.09Å; K528-E611 IonicContact NZ-OE2 3.55Å; K528-E611 PolarHBondContact NZ-OE2 2.63Å; V529-E611 VanDerWaalsContact CG1-O 3.29Å; V529-E611 WeakPolarHBondContact CG1-O 3.44Å; V529-E611 HydrophobicContact CG2-CB 4.09Å; L607-E611 HydrophobicContact CB-CB 4.19Å; L607-E611 HydrophobicContact CD2-CB 4.21Å; K608-E611 HydrophobicContact CB-CB 4.38Å; K608-E611 HydrophobicContact CB-CG 3.94Å; K608-E611 HydrophobicContact CG-CG 4.48Å; K608-E611 PolarHBondContact N-OE2 3.34Å; K608-E611 WeakPolarHBondContact O-CB 3.09Å; K608-E611 PolarHBondContact O-N 3.48Å; S609-E611 VanDerWaalsContact C-N 3.35Å
612	K	93.9	Very high	89.4	Confident	59 Å²	59	66 Å²	66	26%	0.257	35%	0.354	S	S	.	.			trans	-99.1	139.8	-178.3	-65.5	-176.4	177	-165.2	0	111.7	Y533 P553 A602 L607 F610	Y533-K612 WeakPolarHBondContact OH-CA 3.46Å; P553-K612 WeakPolarHBondContact CD-O 3.45Å; P553-K612 VanDerWaalsContact CG-O 3.31Å; P553-K612 WeakPolarHBondContact CG-O 2.96Å; A602-K612 HydrophobicContact CB-CD 4.48Å; A602-K612 HydrophobicContact CB-CG 4.32Å; L607-K612 HydrophobicContact CB-CG 4.44Å; F610-K612 VanDerWaalsContact C-N 3.31Å
613	V	93.1	Very high	89.1	Confident	50 Å²	50	72 Å²	72	30%	0.303	39%	0.387	S	S	.	.			trans	-106.8	0	174.7	-57.9	0	0	0	0	111.5	Y533 V544 P553 A555 L595 M598	Y533-V613 HydrophobicContact CD2-CG2 4.23Å; Y533-V613 HydrophobicContact CE2-CG2 3.61Å; Y533-V613 PolarHBondContact OH-N 3.5Å; V544-V613 HydrophobicContact CG1-CG1 4.14Å; V544-V613 HydrophobicContact CG2-CG1 4.35Å; P553-V613 HydrophobicContact CB-CG1 3.99Å; P553-V613 HydrophobicContact CG-CG1 3.81Å; A555-V613 HydrophobicContact CB-CB 3.8Å; A555-V613 HydrophobicContact CB-CG1 3.96Å; A555-V613 HydrophobicContact CB-CG2 3.62Å; L595-V613 WeakPolarHBondContact CD1-O 3.14Å; M598-V613 HydrophobicContact CE-CG2 3.95Å

Retrieved 613 of 613 residues in 677.2 ms (Link to these results)

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