G4LYC3_SCHMA Loading...

Protein disulfide-isomerase

AlphaFold DB , UniProt , Accession G4LYC3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 482 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	44.5	Very low	48.8	Very low	224 Å²	224	142.6 Å²	142.6	100%	1.103	79%	0.787	S	S	*	*				0	102.7	0	-109.9	164.7	79.3	0	0	107.9	L3	M1-L3 HydrophobicContact CE-CD1 4.2Å
2	K	46	Very low	48.5	Very low	210 Å²	210	142.6 Å²	142.6	91%	0.913	78%	0.783	S	S	*	*			trans	-95	105.7	172.7	-75	-174.4	176.3	-177.3	0	107	S4	K2-S4 PolarHBondContact O-N 3.35Å
3	L	45.7	Very low	48.4	Very low	144 Å²	144	141.1 Å²	141.1	75%	0.754	78%	0.78	S	S	*	*			trans	-74.6	108.6	171.8	-110.6	81	0	0	0	107.7	M1 V5	M1-L3 HydrophobicContact CE-CD1 4.2Å; L3-V5 PolarHBondContact O-N 3.21Å
4	S	51.2	Low	48.4	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	78%	0.783	S	S	*	*			trans	-81.9	106.5	167.6	-64.5	0	0	0	0	108.2	K2 A6	K2-S4 PolarHBondContact O-N 3.35Å; S4-A6 PolarHBondContact O-N 3.21Å
5	V	49.8	Very low	48.4	Very low	129 Å²	129	140.8 Å²	140.8	78%	0.782	78%	0.781	S	S	*	*			trans	-78.7	106	170.3	178.4	0	0	0	0	107.3	L3 L7	L3-V5 PolarHBondContact O-N 3.21Å; V5-L7 PolarHBondContact O-N 3.32Å
6	A	51.2	Low	48.8	Very low	86 Å²	86	136.7 Å²	136.7	71%	0.711	77%	0.771	S	S	*	*			trans	-72.6	112.1	171.2	0	0	0	0	0	108.8	S4 V8	S4-A6 PolarHBondContact O-N 3.21Å; A6-V8 PolarHBondContact O-N 3.45Å
7	L	54	Low	49.9	Very low	152 Å²	152	130.8 Å²	130.8	80%	0.796	74%	0.74	S	S	*	*			trans	-73.4	101.6	172.7	-167.2	85	0	0	0	108.3	V5 V9	V5-L7 PolarHBondContact O-N 3.32Å; L7-V9 HydrophobicContact CD2-CG2 3.93Å; L7-V9 HydrophobicContact CG-CG2 4.37Å; L7-V9 PolarHBondContact O-N 3.33Å
8	V	50	Low	51.7	Low	122 Å²	122	132.7 Å²	132.7	74%	0.739	74%	0.742	S	S	*	*			trans	-77.4	100.7	170.3	178.6	0	0	0	0	107.5	A6 V10	A6-V8 PolarHBondContact O-N 3.45Å; V8-V10 HydrophobicContact CG1-CG2 4.03Å; V8-V10 PolarHBondContact O-N 2.67Å
9	V	51	Low	53.8	Low	94 Å²	94	128.6 Å²	128.6	57%	0.57	72%	0.721	S	S	*	*			trans	-76.8	100.4	169	179.3	0	0	0	0	107.2	L7 F11	L7-V9 HydrophobicContact CD2-CG2 3.93Å; L7-V9 HydrophobicContact CG-CG2 4.37Å; L7-V9 PolarHBondContact O-N 3.33Å; V9-F11 HydrophobicContact CG1-CD2 4Å; V9-F11 HydrophobicContact CG1-CE2 3.9Å; V9-F11 PolarHBondContact O-N 2.98Å
10	V	48.1	Very low	55.8	Low	112 Å²	112	125.8 Å²	125.8	68%	0.679	71%	0.707	S	S	*	*			trans	-75.8	103.1	169.7	179.7	0	0	0	0	107.3	V8 L12	V8-V10 HydrophobicContact CG1-CG2 4.03Å; V8-V10 PolarHBondContact O-N 2.67Å; V10-L12 PolarHBondContact O-N 3.11Å; V10-L12 VanDerWaalsContact O-N 3.11Å
11	F	45.7	Very low	57.7	Low	178 Å²	178	125 Å²	125	78%	0.781	70%	0.698	S	S	*	*			trans	-69.7	101.1	162.9	-85.9	-89.2	0	0	0	107.9	V9 V13	V9-F11 HydrophobicContact CG1-CD2 4Å; V9-F11 HydrophobicContact CG1-CE2 3.9Å; V9-F11 PolarHBondContact O-N 2.98Å; F11-V13 VanDerWaalsContact C-N 3.26Å; F11-V13 PolarHBondContact O-N 3.24Å
12	L	45.4	Very low	60	Low	142 Å²	142	119 Å²	119	74%	0.743	67%	0.667	S	S	*	*			trans	-67	91.7	161.2	-90.5	153.9	0	0	0	107.3	V10 F14	V10-L12 PolarHBondContact O-N 3.11Å; V10-L12 VanDerWaalsContact O-N 3.11Å; L12-F14 PolarHBondContact O-N 3.22Å; L12-F14 VanDerWaalsContact O-N 3.08Å
13	V	46.4	Very low	62.4	Low	123 Å²	123	114.9 Å²	114.9	75%	0.745	66%	0.655	S	S	*	*			trans	-69.1	100.8	163.5	-177.3	0	0	0	0	105.5	F11 A15	F11-V13 VanDerWaalsContact C-N 3.26Å; F11-V13 PolarHBondContact O-N 3.24Å; V13-A15 VanDerWaalsContact C-N 3.34Å; V13-A15 PolarHBondContact O-N 3.36Å
14	F	48.6	Very low	64.7	Low	188 Å²	188	110.6 Å²	110.6	83%	0.825	63%	0.632	S	S	*	*			trans	-59.4	105.9	160.6	-81.6	-92.1	0	0	0	105.8	L12 A16	L12-F14 PolarHBondContact O-N 3.22Å; L12-F14 VanDerWaalsContact O-N 3.08Å; F14-A16 VanDerWaalsContact C-N 3.28Å; F14-A16 PolarHBondContact O-N 2.93Å
15	A	48.2	Very low	67	Low	90 Å²	90	105 Å²	105	74%	0.744	59%	0.593	S	S	*	*			trans	-63.7	97.7	169.7	0	0	0	0	0	106.6	V13 S17	V13-A15 VanDerWaalsContact C-N 3.34Å; V13-A15 PolarHBondContact O-N 3.36Å; A15-S17 PolarHBondContact O-N 3.11Å
16	A	54.9	Low	69.3	Low	75 Å²	75	99.7 Å²	99.7	62%	0.62	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-51.1	124.1	164	0	0	0	0	0	106.5	F14 E18	F14-A16 VanDerWaalsContact C-N 3.28Å; F14-A16 PolarHBondContact O-N 2.93Å; A16-E18 PolarHBondContact O-N 3.33Å; A16-E18 VanDerWaalsContact O-N 3.15Å
17	S	67.5	Low	71.5	Confident	36 Å²	36	97 Å²	97	25%	0.252	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-57.2	123.2	179.3	177.6	0	0	0	0	108.1	A15 V19	A15-S17 PolarHBondContact O-N 3.11Å; S17-V19 PolarHBondContact O-N 3.41Å
18	E	82.5	Confident	73.6	Confident	165 Å²	165	89.9 Å²	89.9	77%	0.771	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-52.5	126.6	-179.2	-167.3	170.1	-174	0	0	109.6	A16	A16-E18 PolarHBondContact O-N 3.33Å; A16-E18 VanDerWaalsContact O-N 3.15Å
19	V	91.8	Very high	75.8	Confident	56 Å²	56	85.9 Å²	85.9	34%	0.339	47%	0.472	S	S	.	.			trans	-87.5	113.3	174.7	-178.8	0	0	0	0	106.6	S17 L26 L28 N32 V36	S17-V19 PolarHBondContact O-N 3.41Å; V19-L26 HydrophobicContact CG1-CB 4.22Å; V19-L26 HydrophobicContact CG1-CD2 3.73Å; V19-L26 HydrophobicContact CG1-CG 4.48Å; V19-L28 HydrophobicContact CG1-CD2 4.11Å; V19-N32 HydrophobicContact CG2-CB 3.88Å; V19-V36 HydrophobicContact CG1-CG2 4.16Å; V19-V36 HydrophobicContact CG2-CG2 3.55Å
20	T	94.2	Very high	77.9	Confident	72 Å²	72	87.1 Å²	87.1	44%	0.442	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	154.4	176.6	55.5	0	0	0	0	110.6	V27	T20-V27 PolarHBondContact O-N 3.31Å
21	E	94.4	Very high	80.1	Confident	110 Å²	110	89.8 Å²	89.8	51%	0.514	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.2	173.1	-76.4	-178.9	-163.3	0	0	109.7	V25 L26	E21-V25 WeakPolarHBondContact CA-O 3.48Å; E21-L26 HydrophobicContact CG-CD2 3.57Å; E21-L26 HydrophobicContact CG-CG 4.5Å
22	E	94.5	Very high	82.6	Confident	97 Å²	97	81.4 Å²	81.4	45%	0.453	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.2	168.4	-73.1	179.8	-160.5	0	0	108.3	D24 V25 V27 K80	E22-D24 VanDerWaalsContact C-N 3.33Å; E22-D24 PolarHBondContact O-N 2.98Å; E22-V25 PolarHBondContact N-O 3.14Å; E22-V25 WeakPolarHBondContact O-CA 3.09Å; E22-V25 WeakPolarHBondContact O-CB 3.22Å; E22-V25 PolarHBondContact O-N 3.4Å; E22-V27 HydrophobicContact CB-CG2 4.22Å; E22-V27 HydrophobicContact CG-CG2 3.87Å; E22-K80 WeakPolarHBondContact OE2-CE 3.4Å; E22-K80 IonicContact OE2-NZ 3.16Å; E22-K80 PolarHBondContact OE2-NZ 2.87Å
23	D	94.5	Very high	85.1	Confident	124 Å²	124	74.7 Å²	74.7	66%	0.663	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	50.8	179.3	-58.9	-42.9	0	0	0	113.2	V25 S63	D23-V25 PolarHBondContact O-N 3.29Å; D23-S63 WeakPolarHBondContact CB-OG 3.28Å; D23-S63 WeakPolarHBondContact O-CB 3.3Å; D23-S63 PolarHBondContact O-OG 3.39Å
24	D	95.9	Very high	87.4	Confident	54 Å²	54	73.1 Å²	73.1	29%	0.289	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	6.4	-176.1	-64.3	-66.7	0	0	0	115.8	E22 A66 K70	E22-D24 VanDerWaalsContact C-N 3.33Å; E22-D24 PolarHBondContact O-N 2.98Å; D24-A66 HydrophobicContact CB-CB 4Å; D24-K70 VanDerWaalsContact OD1-CD 3.28Å; D24-K70 WeakPolarHBondContact OD1-CD 3.4Å; D24-K70 IonicContact OD1-NZ 2.67Å; D24-K70 PolarHBondContact OD1-NZ 3.35Å
25	V	98.2	Very high	89.7	Confident	1 Å²	1	68.3 Å²	68.3	1%	0.006	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.4	177.7	-176.2	0	0	0	0	110.7	E21 E22 D23 Y62 A66 K80	E21-V25 WeakPolarHBondContact CA-O 3.48Å; E22-V25 PolarHBondContact N-O 3.14Å; E22-V25 WeakPolarHBondContact O-CA 3.09Å; E22-V25 WeakPolarHBondContact O-CB 3.22Å; E22-V25 PolarHBondContact O-N 3.4Å; D23-V25 PolarHBondContact O-N 3.29Å; V25-Y62 HydrophobicContact CG1-CD1 3.98Å; V25-Y62 HydrophobicContact CG1-CE1 3.79Å; V25-Y62 HydrophobicContact CG2-CD1 3.86Å; V25-Y62 HydrophobicContact CG2-CE1 4.35Å; V25-A66 HydrophobicContact CG2-CB 3.95Å; V25-K80 HydrophobicContact CG1-CB 4.01Å; V25-K80 HydrophobicContact CG1-CD 4Å; V25-K80 HydrophobicContact CG1-CG 3.86Å
26	L	98.2	Very high	92	Very high	16 Å²	16	64.4 Å²	64.4	8%	0.084	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.7	176.9	-59.8	168.9	0	0	0	111	V19 E21 L28 V36 K77 L78 A79 K80	V19-L26 HydrophobicContact CG1-CB 4.22Å; V19-L26 HydrophobicContact CG1-CD2 3.73Å; V19-L26 HydrophobicContact CG1-CG 4.48Å; E21-L26 HydrophobicContact CG-CD2 3.57Å; E21-L26 HydrophobicContact CG-CG 4.5Å; L26-L28 HydrophobicContact CB-CD2 4.15Å; L26-V36 HydrophobicContact CD1-CG1 4Å; L26-K77 HydrophobicContact CD1-CB 3.85Å; L26-K77 HydrophobicContact CD1-CG 4.28Å; L26-L78 PolarHBondContact N-O 3.26Å; L26-A79 HydrophobicContact CB-CB 3.96Å; L26-A79 CarbonylContact O-C 3.54Å; L26-A79 WeakPolarHBondContact O-CA 3.46Å; L26-K80 PolarHBondContact O-N 3.49Å
27	V	98	Very high	94	Very high	29 Å²	29	61.2 Å²	61.2	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	111.3	175.3	-173.4	0	0	0	0	109.1	T20 E22 N32	T20-V27 PolarHBondContact O-N 3.31Å; E22-V27 HydrophobicContact CB-CG2 4.22Å; E22-V27 HydrophobicContact CG-CG2 3.87Å; V27-N32 PolarHBondContact O-ND2 2.98Å
28	L	98.1	Very high	95.3	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	150.2	-176	-53.7	-174.5	0	0	0	112	V19 L26 N32 F33 V36 V45 A79 K80 V81	V19-L28 HydrophobicContact CG1-CD2 4.11Å; L26-L28 HydrophobicContact CB-CD2 4.15Å; L28-N32 VanDerWaalsContact CA-OD1 3.27Å; L28-N32 WeakPolarHBondContact CA-OD1 3.33Å; L28-F33 HydrophobicContact CB-CD2 4.05Å; L28-F33 HydrophobicContact CD1-CD2 3.79Å; L28-F33 HydrophobicContact CD1-CE2 4.21Å; L28-V36 HydrophobicContact CD1-CB 4.35Å; L28-V36 HydrophobicContact CD1-CG1 4.04Å; L28-V36 HydrophobicContact CD2-CB 3.89Å; L28-V36 HydrophobicContact CD2-CG1 3.91Å; L28-V36 HydrophobicContact CD2-CG2 3.63Å; L28-V45 HydrophobicContact CD1-CG2 4.37Å; L28-A79 HydrophobicContact CD1-CB 3.51Å; L28-A79 HydrophobicContact CG-CB 3.84Å; L28-K80 PolarHBondContact N-O 2.99Å; L28-V81 HydrophobicContact CB-CG2 3.75Å
29	N	96.2	Very high	95.9	Very high	38 Å²	38	63.6 Å²	63.6	20%	0.203	32%	0.322	C	S	.	.			trans	-145.9	172.8	176	59.3	60.8	0	0	0	109.6	K31 N32 F33 E86	N29-K31 PolarHBondContact O-N 3.39Å; N29-K31 WeakPolarHBondContact OD1-CA 3.5Å; N29-K31 VanDerWaalsContact OD1-CB 3.26Å; N29-K31 WeakPolarHBondContact OD1-CB 3.4Å; N29-K31 PolarHBondContact OD1-N 2.91Å; N29-N32 PolarHBondContact N-OD1 3.19Å; N29-N32 PolarHBondContact O-N 2.66Å; N29-N32 VanDerWaalsContact O-N 3.11Å; N29-N32 PolarHBondContact O-OD1 2.82Å; N29-N32 VanDerWaalsContact O-OD1 3.06Å; N29-N32 PolarHBondContact OD1-N 3.3Å; N29-F33 VanDerWaalsContact O-CB 3.24Å; N29-F33 WeakPolarHBondContact O-CB 3.38Å; N29-F33 PolarHBondContact O-N 3.24Å; N29-E86 HydrophobicContact CB-CG 4.26Å; N29-E86 VanDerWaalsContact CB-OE1 3.3Å; N29-E86 WeakPolarHBondContact CB-OE1 3.34Å
30	K	94.6	Very high	96.1	Very high	120 Å²	120	62.8 Å²	62.8	52%	0.522	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-25.1	-179.4	-178.7	174.8	179.3	179.4	0	114.7	E86 E88	K30-E86 WeakPolarHBondContact CB-OE2 3.41Å; K30-E86 PolarHBondContact N-OE2 2.94Å; K30-E88 IonicContact NZ-OE2 3.47Å; K30-E88 PolarHBondContact NZ-OE2 2.86Å
31	K	94.9	Very high	96	Very high	167 Å²	167	64 Å²	64	73%	0.726	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-26.1	-177.4	-54.7	178.9	-177.1	172.8	0	114.1	N29	N29-K31 PolarHBondContact O-N 3.39Å; N29-K31 WeakPolarHBondContact OD1-CA 3.5Å; N29-K31 VanDerWaalsContact OD1-CB 3.26Å; N29-K31 WeakPolarHBondContact OD1-CB 3.4Å; N29-K31 PolarHBondContact OD1-N 2.91Å
32	N	97	Very high	96.1	Very high	2 Å²	2	59.2 Å²	59.2	1%	0.011	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-11.8	-176	67.7	9.5	0	0	0	113.8	V19 V27 L28 N29 D35 V36	V19-N32 HydrophobicContact CG2-CB 3.88Å; V27-N32 PolarHBondContact O-ND2 2.98Å; L28-N32 VanDerWaalsContact CA-OD1 3.27Å; L28-N32 WeakPolarHBondContact CA-OD1 3.33Å; N29-N32 PolarHBondContact N-OD1 3.19Å; N29-N32 PolarHBondContact O-N 2.66Å; N29-N32 VanDerWaalsContact O-N 3.11Å; N29-N32 PolarHBondContact O-OD1 2.82Å; N29-N32 VanDerWaalsContact O-OD1 3.06Å; N29-N32 PolarHBondContact OD1-N 3.3Å; N32-D35 PolarHBondContact O-N 2.89Å; N32-V36 WeakPolarHBondContact O-CG2 3.31Å; N32-V36 PolarHBondContact O-N 2.88Å
33	F	97.6	Very high	96.2	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-57.1	-56.6	-175	-176.1	-86.6	0	0	0	112.4	L28 N29 D35 V36 I37 V45 F47 V81 L89 H93 F104	L28-F33 HydrophobicContact CB-CD2 4.05Å; L28-F33 HydrophobicContact CD1-CD2 3.79Å; L28-F33 HydrophobicContact CD1-CE2 4.21Å; N29-F33 VanDerWaalsContact O-CB 3.24Å; N29-F33 WeakPolarHBondContact O-CB 3.38Å; N29-F33 PolarHBondContact O-N 3.24Å; F33-D35 VanDerWaalsContact C-N 3.28Å; F33-D35 PolarHBondContact O-N 3.15Å; F33-V36 PolarHBondContact O-N 2.97Å; F33-V36 VanDerWaalsContact O-N 3.16Å; F33-I37 HydrophobicContact CD1-CG1 3.89Å; F33-I37 HydrophobicContact CE1-CD1 4.46Å; F33-I37 HydrophobicContact CE1-CG1 3.54Å; F33-I37 HydrophobicContact CE2-CD1 4.5Å; F33-I37 HydrophobicContact CE2-CG1 4.28Å; F33-I37 HydrophobicContact CG-CG1 4.39Å; F33-I37 HydrophobicContact CZ-CD1 4.2Å; F33-I37 HydrophobicContact CZ-CG1 3.76Å; F33-I37 WeakPolarHBondContact O-CG1 3.46Å; F33-I37 PolarHBondContact O-N 2.94Å; F33-V45 HydrophobicContact CE2-CG1 4.05Å; F33-V45 HydrophobicContact CE2-CG2 4.03Å; F33-V45 HydrophobicContact CZ-CG2 4.45Å; F33-F47 HydrophobicContact CE2-CZ 4.1Å; F33-F47 HydrophobicContact CZ-CZ 4.25Å; F33-V81 HydrophobicContact CD2-CG2 4.01Å; F33-V81 HydrophobicContact CE2-CG2 4.14Å; F33-L89 HydrophobicContact CB-CD1 4.38Å; F33-L89 HydrophobicContact CB-CD2 3.91Å; F33-L89 HydrophobicContact CD1-CD1 3.76Å; F33-L89 HydrophobicContact CD2-CD1 4.27Å; F33-L89 HydrophobicContact CD2-CD2 3.67Å; F33-L89 HydrophobicContact CD2-CG 4.41Å; F33-L89 HydrophobicContact CE1-CD1 4.04Å; F33-L89 HydrophobicContact CE2-CD1 4.5Å; F33-L89 HydrophobicContact CE2-CD2 4.29Å; F33-L89 HydrophobicContact CG-CD1 3.87Å; F33-L89 HydrophobicContact CG-CD2 3.78Å; F33-L89 HydrophobicContact CG-CG 4.41Å; F33-L89 HydrophobicContact CZ-CD1 4.39Å; F33-H93 AromaticContact CE1-CE1 3.87Å; F33-H93 AromaticContact CE1-NE2 3.24Å; F33-H93 WeakPolarHBondContact CE1-NE2 3.33Å; F33-H93 AromaticContact CZ-CD2 3.98Å; F33-H93 AromaticContact CZ-NE2 3.53Å; F33-F104 HydrophobicContact CE1-CE1 4.36Å; F33-F104 HydrophobicContact CE1-CZ 4.21Å; F33-F104 HydrophobicContact CZ-CE1 4.15Å; F33-F104 AromaticContact CZ-CE2 3.91Å; F33-F104 HydrophobicContact CZ-CE2 3.91Å; F33-F104 AromaticContact CZ-CZ 3.58Å; F33-F104 HydrophobicContact CZ-CZ 3.58Å
34	D	95.8	Very high	96.4	Very high	90 Å²	90	48.7 Å²	48.7	48%	0.481	24%	0.24	S	C	.	.	H	α-helix	trans	-61.1	-38.7	-176.2	-70.1	-24	0	0	0	111.2	K38 K92	D34-K38 WeakPolarHBondContact O-CB 3.4Å; D34-K38 PolarHBondContact O-N 2.7Å; D34-K92 IonicContact OD1-NZ 2.86Å; D34-K92 PolarHBondContact OD1-NZ 2.87Å
35	D	95.8	Very high	96.6	Very high	87 Å²	87	46.1 Å²	46.1	47%	0.465	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-42.8	176.6	-74	-23.5	0	0	0	112	N32 F33 K38 T39	N32-D35 PolarHBondContact O-N 2.89Å; F33-D35 VanDerWaalsContact C-N 3.28Å; F33-D35 PolarHBondContact O-N 3.15Å; D35-K38 PolarHBondContact O-N 3.19Å; D35-T39 WeakPolarHBondContact O-CB 3.22Å; D35-T39 VanDerWaalsContact O-CG2 3.25Å; D35-T39 WeakPolarHBondContact O-CG2 3.48Å; D35-T39 PolarHBondContact O-N 3.04Å; D35-T39 PolarHBondContact O-OG1 3.49Å
36	V	97.2	Very high	96.6	Very high	8 Å²	8	46.4 Å²	46.4	5%	0.048	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-45.7	177.7	168.9	0	0	0	0	111	V19 L26 L28 N32 F33 K38 T39 N40	V19-V36 HydrophobicContact CG1-CG2 4.16Å; V19-V36 HydrophobicContact CG2-CG2 3.55Å; L26-V36 HydrophobicContact CD1-CG1 4Å; L28-V36 HydrophobicContact CD1-CB 4.35Å; L28-V36 HydrophobicContact CD1-CG1 4.04Å; L28-V36 HydrophobicContact CD2-CB 3.89Å; L28-V36 HydrophobicContact CD2-CG1 3.91Å; L28-V36 HydrophobicContact CD2-CG2 3.63Å; N32-V36 WeakPolarHBondContact O-CG2 3.31Å; N32-V36 PolarHBondContact O-N 2.88Å; F33-V36 PolarHBondContact O-N 2.97Å; F33-V36 VanDerWaalsContact O-N 3.16Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.08Å; V36-T39 PolarHBondContact O-N 3.43Å; V36-T39 PolarHBondContact O-OG1 3Å; V36-N40 WeakPolarHBondContact O-CB 3.45Å; V36-N40 PolarHBondContact O-N 3.04Å; V36-N40 VanDerWaalsContact O-N 3.11Å; V36-N40 PolarHBondContact O-ND2 3.34Å
37	I	97.4	Very high	96.6	Very high	8 Å²	8	45.6 Å²	45.6	4%	0.041	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-38.2	178.6	-65.6	-48.9	0	0	0	111.3	F33 V43 V45 F104 E107	F33-I37 HydrophobicContact CD1-CG1 3.89Å; F33-I37 HydrophobicContact CE1-CD1 4.46Å; F33-I37 HydrophobicContact CE1-CG1 3.54Å; F33-I37 HydrophobicContact CE2-CD1 4.5Å; F33-I37 HydrophobicContact CE2-CG1 4.28Å; F33-I37 HydrophobicContact CG-CG1 4.39Å; F33-I37 HydrophobicContact CZ-CD1 4.2Å; F33-I37 HydrophobicContact CZ-CG1 3.76Å; F33-I37 WeakPolarHBondContact O-CG1 3.46Å; F33-I37 PolarHBondContact O-N 2.94Å; I37-V43 HydrophobicContact CD1-CB 3.78Å; I37-V43 HydrophobicContact CD1-CG1 3.94Å; I37-V43 HydrophobicContact CD1-CG2 4.07Å; I37-V45 HydrophobicContact CD1-CG2 3.99Å; I37-F104 HydrophobicContact CD1-CB 3.9Å; I37-F104 HydrophobicContact CD1-CD1 4.14Å; I37-F104 HydrophobicContact CD1-CD2 3.75Å; I37-F104 HydrophobicContact CD1-CE2 4.33Å; I37-F104 HydrophobicContact CD1-CG 3.64Å; I37-F104 HydrophobicContact CG1-CD1 4.28Å; I37-F104 HydrophobicContact CG1-CG 4.29Å; I37-F104 HydrophobicContact CG2-CB 4.12Å; I37-F104 HydrophobicContact CG2-CD1 3.7Å; I37-F104 HydrophobicContact CG2-CE1 4.43Å; I37-F104 HydrophobicContact CG2-CG 4.09Å; I37-E107 HydrophobicContact CG2-CB 4.09Å; I37-E107 HydrophobicContact CG2-CG 4.16Å
38	K	94.7	Very high	96.6	Very high	143 Å²	143	46.4 Å²	46.4	62%	0.622	22%	0.224	S	C	*	.	H	α-helix	trans	-73.6	-34.5	178.8	-173.9	175.5	-176	177.1	0	113.9	D34 D35 V36	D34-K38 WeakPolarHBondContact O-CB 3.4Å; D34-K38 PolarHBondContact O-N 2.7Å; D35-K38 PolarHBondContact O-N 3.19Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.08Å
39	T	94.9	Very high	96.5	Very high	107 Å²	107	46.2 Å²	46.2	66%	0.656	22%	0.223	S	C	*	.	H	α-helix	trans	-86.3	-18.6	-176.3	52.1	0	0	0	0	113.8	D35 V36	D35-T39 WeakPolarHBondContact O-CB 3.22Å; D35-T39 VanDerWaalsContact O-CG2 3.25Å; D35-T39 WeakPolarHBondContact O-CG2 3.48Å; D35-T39 PolarHBondContact O-N 3.04Å; D35-T39 PolarHBondContact O-OG1 3.49Å; V36-T39 PolarHBondContact O-N 3.43Å; V36-T39 PolarHBondContact O-OG1 3Å
40	N	95.5	Very high	96.4	Very high	40 Å²	40	47.3 Å²	47.3	21%	0.214	23%	0.231	C	C	.	.			trans	-112.8	125.9	-178.4	-65.9	-88	0	0	0	110.7	V36 F42 V43 K77	V36-N40 WeakPolarHBondContact O-CB 3.45Å; V36-N40 PolarHBondContact O-N 3.04Å; V36-N40 VanDerWaalsContact O-N 3.11Å; V36-N40 PolarHBondContact O-ND2 3.34Å; N40-F42 VanDerWaalsContact C-N 3.27Å; N40-F42 PolarHBondContact O-N 3Å; N40-V43 HydrophobicContact CB-CG2 3.44Å; N40-V43 VanDerWaalsContact CB-CG2 3.44Å; N40-K77 HydrophobicContact CB-CG 4.42Å; N40-K77 WeakPolarHBondContact OD1-CG 3.41Å
41	K	92.4	Very high	96.3	Very high	96 Å²	96	49.9 Å²	49.9	42%	0.417	24%	0.238	S	C	.	.	S	Bend	trans	-58.8	-37.4	-179	-173.6	168	-173.1	174.6	0	113.2	R105 N106	K41-R105 WeakPolarHBondContact O-CA 3.35Å; K41-N106 WeakPolarHBondContact CG-OD1 3.44Å; K41-N106 PolarHBondContact O-N 3.31Å
42	F	96.1	Very high	96.3	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.048	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	117.8	-175.5	-56.3	-62.2	0	0	0	110.5	N40 L75 I76 K77 F103 F104 R105 S129	N40-F42 VanDerWaalsContact C-N 3.27Å; N40-F42 PolarHBondContact O-N 3Å; F42-L75 HydrophobicContact CD2-CB 4.22Å; F42-I76 HydrophobicContact CB-CB 4.34Å; F42-I76 HydrophobicContact CB-CG1 3.9Å; F42-I76 HydrophobicContact CD2-CG1 4.32Å; F42-I76 HydrophobicContact CG-CG1 4.36Å; F42-K77 PolarHBondContact O-N 2.99Å; F42-F103 HydrophobicContact CB-CE2 4.04Å; F42-F103 HydrophobicContact CB-CZ 3.78Å; F42-F103 HydrophobicContact CD1-CE1 4.07Å; F42-F103 AromaticContact CD1-CZ 3.64Å; F42-F103 HydrophobicContact CD1-CZ 3.64Å; F42-F103 HydrophobicContact CG-CZ 4.02Å; F42-F104 CarbonylContact C-O 3.39Å; F42-F104 VanDerWaalsContact CA-O 3.3Å; F42-F104 WeakPolarHBondContact CA-O 3.4Å; F42-R105 HydrophobicContact CD1-CB 4.2Å; F42-R105 HydrophobicContact CD1-CG 4.05Å; F42-R105 HydrophobicContact CE1-CB 4.39Å; F42-R105 HydrophobicContact CE1-CG 3.76Å; F42-S129 WeakPolarHBondContact CZ-O 3.29Å
43	V	98.2	Very high	96.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.4	177.5	-169.5	0	0	0	0	110.3	I37 N40 V45 K77 A79 F103 F104	I37-V43 HydrophobicContact CD1-CB 3.78Å; I37-V43 HydrophobicContact CD1-CG1 3.94Å; I37-V43 HydrophobicContact CD1-CG2 4.07Å; N40-V43 HydrophobicContact CB-CG2 3.44Å; N40-V43 VanDerWaalsContact CB-CG2 3.44Å; V43-V45 HydrophobicContact CG1-CG2 3.93Å; V43-K77 CarbonylContact C-O 3.43Å; V43-K77 VanDerWaalsContact CA-O 3.28Å; V43-K77 WeakPolarHBondContact CA-O 3.45Å; V43-K77 HydrophobicContact CG1-CB 4.45Å; V43-K77 HydrophobicContact CG2-CB 4.44Å; V43-A79 HydrophobicContact CG1-CB 3.78Å; V43-F103 CarbonylContact O-C 3.54Å; V43-F104 HydrophobicContact CB-CB 4.37Å; V43-F104 PolarHBondContact N-O 3.47Å; V43-F104 PolarHBondContact O-N 3.34Å
44	L	98.5	Very high	95.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.9	165.4	-173.3	68.3	0	0	0	108.5	Y62 K77 L78 A79 L101 F103 F112 I121	L44-Y62 HydrophobicContact CD2-CE2 3.57Å; L44-Y62 HydrophobicContact CG-CE2 4.09Å; L44-Y62 WeakPolarHBondContact CG-OH 3.43Å; L44-Y62 PolarHBondContact O-OH 3.11Å; L44-K77 PolarHBondContact N-O 2.9Å; L44-L78 HydrophobicContact CB-CD1 4.07Å; L44-L78 HydrophobicContact CB-CG 4.12Å; L44-L78 HydrophobicContact CD2-CD1 4.44Å; L44-L78 HydrophobicContact CD2-CD2 4.49Å; L44-L78 HydrophobicContact CD2-CG 4.22Å; L44-L78 CarbonylContact O-C 3.56Å; L44-L78 WeakPolarHBondContact O-CA 3.35Å; L44-A79 PolarHBondContact O-N 3.48Å; L44-L101 HydrophobicContact CD1-CB 4.38Å; L44-L101 HydrophobicContact CD2-CD2 4.19Å; L44-F103 HydrophobicContact CB-CD2 4.12Å; L44-F103 HydrophobicContact CD1-CB 3.86Å; L44-F103 HydrophobicContact CD1-CD2 4.24Å; L44-F112 HydrophobicContact CD1-CB 4.26Å; L44-F112 HydrophobicContact CD1-CD2 3.87Å; L44-F112 HydrophobicContact CD1-CG 4.35Å; L44-F112 HydrophobicContact CD2-CD2 4.43Å; L44-I121 HydrophobicContact CD2-CG2 3.63Å
45	V	98.7	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.8	178.2	-177.4	0	0	0	0	109.9	L28 F33 I37 V43 F47 A79 V81 L101 K102 F104	L28-V45 HydrophobicContact CD1-CG2 4.37Å; F33-V45 HydrophobicContact CE2-CG1 4.05Å; F33-V45 HydrophobicContact CE2-CG2 4.03Å; F33-V45 HydrophobicContact CZ-CG2 4.45Å; I37-V45 HydrophobicContact CD1-CG2 3.99Å; V43-V45 HydrophobicContact CG1-CG2 3.93Å; V45-F47 HydrophobicContact CB-CE2 4.14Å; V45-F47 HydrophobicContact CG1-CD2 4.05Å; V45-F47 HydrophobicContact CG1-CE2 3.67Å; V45-F47 HydrophobicContact CG1-CZ 3.93Å; V45-A79 CarbonylContact C-O 3.51Å; V45-A79 WeakPolarHBondContact CA-O 3.28Å; V45-A79 HydrophobicContact CG2-CB 4.13Å; V45-V81 HydrophobicContact CG1-CB 4.48Å; V45-V81 HydrophobicContact CG1-CG2 3.8Å; V45-L101 CarbonylContact O-C 3.58Å; V45-L101 VanDerWaalsContact O-CA 3.3Å; V45-L101 WeakPolarHBondContact O-CA 3.17Å; V45-K102 PolarHBondContact N-O 3.21Å; V45-K102 PolarHBondContact O-N 2.97Å; V45-F104 HydrophobicContact CB-CD2 4.29Å; V45-F104 HydrophobicContact CB-CE2 3.95Å; V45-F104 HydrophobicContact CG2-CD2 3.6Å; V45-F104 HydrophobicContact CG2-CE2 3.58Å
46	E	98.5	Very high	95.9	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.028	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.9	166.5	-173.2	-163.6	-178.4	0	0	110.1	L58 Y62 A79 K80 V81 P99 L101	E46-L58 HydrophobicContact CG-CD2 4.1Å; E46-L58 WeakPolarHBondContact OE1-CD2 3.24Å; E46-Y62 HydrophobicContact CB-CE1 4.03Å; E46-Y62 HydrophobicContact CB-CE2 4.27Å; E46-Y62 PolarHBondContact N-OH 3.39Å; E46-A79 PolarHBondContact N-O 2.81Å; E46-K80 HydrophobicContact CB-CB 4.37Å; E46-K80 CarbonylContact O-C 3.49Å; E46-K80 VanDerWaalsContact O-CA 3.27Å; E46-K80 WeakPolarHBondContact O-CA 3.3Å; E46-V81 PolarHBondContact O-N 2.76Å; E46-P99 HydrophobicContact CG-CB 3.95Å; E46-P99 WeakPolarHBondContact OE1-CB 3.39Å; E46-L101 HydrophobicContact CB-CG 4.45Å; E46-L101 HydrophobicContact CG-CD1 4.35Å; E46-L101 HydrophobicContact CG-CG 4.45Å
47	F	98.5	Very high	95.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	113	165.1	-65.2	-91.5	0	0	0	108.8	F33 V45 V81 A83 L89 A90 H93 V95 P99 T100 K102	F33-F47 HydrophobicContact CE2-CZ 4.1Å; F33-F47 HydrophobicContact CZ-CZ 4.25Å; V45-F47 HydrophobicContact CB-CE2 4.14Å; V45-F47 HydrophobicContact CG1-CD2 4.05Å; V45-F47 HydrophobicContact CG1-CE2 3.67Å; V45-F47 HydrophobicContact CG1-CZ 3.93Å; F47-V81 HydrophobicContact CD1-CB 3.83Å; F47-V81 HydrophobicContact CD1-CG1 3.88Å; F47-V81 HydrophobicContact CD1-CG2 4.42Å; F47-V81 HydrophobicContact CE1-CB 4.03Å; F47-V81 HydrophobicContact CE1-CG1 4.01Å; F47-V81 HydrophobicContact CE1-CG2 4.15Å; F47-A83 HydrophobicContact CB-CB 4.28Å; F47-L89 HydrophobicContact CE1-CG 4.27Å; F47-A90 HydrophobicContact CD1-CB 4.22Å; F47-H93 HydrophobicContact CE2-CB 4.36Å; F47-H93 HydrophobicContact CZ-CB 4.01Å; F47-H93 AromaticContact CZ-CD2 3.88Å; F47-V95 HydrophobicContact CB-CG1 4.06Å; F47-V95 HydrophobicContact CB-CG2 3.75Å; F47-V95 HydrophobicContact CD1-CG2 3.84Å; F47-V95 HydrophobicContact CD2-CG2 3.77Å; F47-V95 HydrophobicContact CE1-CG2 4.37Å; F47-V95 HydrophobicContact CE2-CG2 4.32Å; F47-V95 HydrophobicContact CG-CG2 3.5Å; F47-P99 WeakPolarHBondContact O-CA 3.35Å; F47-T100 PolarHBondContact N-O 3.39Å; F47-T100 PolarHBondContact O-N 3.26Å; F47-K102 HydrophobicContact CE2-CB 4.38Å; F47-K102 HydrophobicContact CE2-CD 4.12Å; F47-K102 HydrophobicContact CE2-CG 4.46Å
48	Y	98	Very high	95.8	Very high	46 Å²	46	52 Å²	52	18%	0.18	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	168.1	-170.9	78.6	-83.4	0	0	0	112.5	P50 K80 V81 D82 A83	Y48-P50 HydrophobicContact CE2-CG 4.22Å; Y48-K80 HydrophobicContact CD1-CB 4.01Å; Y48-K80 HydrophobicContact CE1-CB 3.89Å; Y48-K80 HydrophobicContact CE1-CD 4.08Å; Y48-K80 HydrophobicContact CE1-CG 3.97Å; Y48-V81 VanDerWaalsContact CD1-C 3.5Å; Y48-V81 WeakPolarHBondContact CD1-O 3.37Å; Y48-V81 VanDerWaalsContact CE1-C 3.44Å; Y48-V81 PolarHBondContact N-O 3.34Å; Y48-D82 HydrophobicContact CE1-CB 4.12Å; Y48-D82 HydrophobicContact CE2-CB 4.47Å; Y48-A83 PolarHBondContact O-N 2.84Å
49	A	96.1	Very high	96	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.256	C	S	.	.			trans	-125.7	132.8	169	0	0	0	0	0	109.6	W51 C52 T84 Y98	A49-W51 HydrophobicContact CB-CD2 4.17Å; A49-W51 HydrophobicContact CB-CH2 4.38Å; A49-W51 HydrophobicContact CB-CZ2 3.85Å; A49-W51 PolarHBondContact O-N 2.99Å; A49-W51 VanDerWaalsContact O-N 3.08Å; A49-C52 HydrophobicContact CB-CB 4.11Å; A49-C52 WeakPolarHBondContact O-CB 3.21Å; A49-C52 PolarHBondContact O-N 2.99Å; A49-T84 HydrophobicContact CB-CG2 3.44Å; A49-T84 VanDerWaalsContact CB-CG2 3.44Å; A49-Y98 HydrophobicContact CB-CD2 3.54Å; A49-Y98 HydrophobicContact CB-CE2 3.9Å; A49-Y98 HydrophobicContact CB-CG 3.93Å
50	P	95	Very high	96.1	Very high	60 Å²	60	46 Å²	46	39%	0.39	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.1	-174.7	-27.1	34.1	0	0	0	114.6	Y48 K56 D82	Y48-P50 HydrophobicContact CE2-CG 4.22Å; P50-K56 WeakPolarHBondContact O-CE 3.48Å; P50-D82 WeakPolarHBondContact CD-OD1 3.3Å; P50-D82 WeakPolarHBondContact CD-OD2 3.34Å; P50-D82 WeakPolarHBondContact CG-OD2 3.27Å
51	W	92.2	Very high	96.2	Very high	175 Å²	175	47.5 Å²	47.5	66%	0.663	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-9.4	179.2	50.5	-101.6	0	0	0	113.7	A49 G53 Y98	A49-W51 HydrophobicContact CB-CD2 4.17Å; A49-W51 HydrophobicContact CB-CH2 4.38Å; A49-W51 HydrophobicContact CB-CZ2 3.85Å; A49-W51 PolarHBondContact O-N 2.99Å; A49-W51 VanDerWaalsContact O-N 3.08Å; W51-G53 PolarHBondContact O-N 2.88Å; W51-Y98 HydrophobicContact CH2-CD2 4.22Å; W51-Y98 HydrophobicContact CH2-CE2 4.49Å; W51-Y98 HydrophobicContact CZ2-CD2 4.39Å; W51-Y98 HydrophobicContact CZ2-CE2 4.33Å
52	C	94	Very high	96.5	Very high	13 Å²	13	43 Å²	43	9%	0.088	24%	0.236	C	C	.	.			trans	-76.3	123.2	-175.6	177.4	0	0	0	0	112	A49 H54 C55 K56	A49-C52 HydrophobicContact CB-CB 4.11Å; A49-C52 WeakPolarHBondContact O-CB 3.21Å; A49-C52 PolarHBondContact O-N 2.99Å; C52-H54 PolarHBondContact O-N 3.16Å; C52-C55 HydrophobicContact CB-CB 3.91Å; C52-C55 VanDerWaalsContact CB-SG 3.54Å; C52-C55 PolarHBondContact O-N 3.45Å; C52-K56 WeakPolarHBondContact O-CG 3.3Å; C52-K56 PolarHBondContact O-N 2.8Å; C52-K56 VanDerWaalsContact O-N 3.1Å
53	G	92.4	Very high	96.6	Very high	50 Å²	50	43.6 Å²	43.6	52%	0.515	24%	0.241	S	C	.	.	H	α-helix	trans	-60.6	-40.2	178	0	0	0	0	0	113.5	W51 K56 A57	W51-G53 PolarHBondContact O-N 2.88Å; G53-K56 PolarHBondContact O-N 2.88Å; G53-A57 PolarHBondContact O-N 3.11Å
54	H	93.2	Very high	96.6	Very high	134 Å²	134	47 Å²	47	62%	0.62	26%	0.257	S	S	*	.	H	α-helix	trans	-67.4	-35.5	177.7	-62.2	153.1	0	0	0	112.6	C52 A57 L58	C52-H54 PolarHBondContact O-N 3.16Å; H54-A57 PolarHBondContact O-N 2.89Å; H54-L58 WeakPolarHBondContact O-CB 3.43Å; H54-L58 PolarHBondContact O-N 3.16Å
55	C	96.2	Very high	96.6	Very high	5 Å²	5	47 Å²	47	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-44.1	174.1	-63.5	0	0	0	0	111.3	C52 A57 L58 A59	C52-C55 HydrophobicContact CB-CB 3.91Å; C52-C55 VanDerWaalsContact CB-SG 3.54Å; C52-C55 PolarHBondContact O-N 3.45Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 3.33Å; C55-L58 PolarHBondContact O-N 2.99Å; C55-A59 PolarHBondContact O-N 2.91Å
56	K	96.5	Very high	96.6	Very high	132 Å²	132	47.4 Å²	47.4	57%	0.574	26%	0.26	S	S	*	.	H	α-helix	trans	-61.4	-35.8	175.8	-68.6	177.4	-175.2	178.9	0	112.5	P50 C52 G53 P60	P50-K56 WeakPolarHBondContact O-CE 3.48Å; C52-K56 WeakPolarHBondContact O-CG 3.3Å; C52-K56 PolarHBondContact O-N 2.8Å; C52-K56 VanDerWaalsContact O-N 3.1Å; G53-K56 PolarHBondContact O-N 2.88Å; K56-P60 WeakPolarHBondContact O-CD 3.42Å
57	A	95.9	Very high	96.6	Very high	67 Å²	67	51.1 Å²	51.1	55%	0.554	28%	0.276	S	S	*	.	H	α-helix	trans	-72	-35.9	176	0	0	0	0	0	112.6	G53 H54 C55 P60	G53-A57 PolarHBondContact O-N 3.11Å; H54-A57 PolarHBondContact O-N 2.89Å; C55-A57 VanDerWaalsContact C-N 3.26Å; C55-A57 PolarHBondContact O-N 3.33Å; A57-P60 WeakPolarHBondContact O-CD 3.27Å
58	L	97.4	Very high	96.6	Very high	7 Å²	7	52.9 Å²	52.9	4%	0.037	28%	0.284	C	S	.	.	H	α-helix	trans	-73	-37.6	177.8	174.5	59.1	0	0	0	112.7	E46 H54 C55 E61 Y62 P99 L101 R116 I121	E46-L58 HydrophobicContact CG-CD2 4.1Å; E46-L58 WeakPolarHBondContact OE1-CD2 3.24Å; H54-L58 WeakPolarHBondContact O-CB 3.43Å; H54-L58 PolarHBondContact O-N 3.16Å; C55-L58 PolarHBondContact O-N 2.99Å; L58-E61 PolarHBondContact O-N 2.9Å; L58-Y62 HydrophobicContact CD1-CD2 4.28Å; L58-Y62 HydrophobicContact CG-CD2 4.45Å; L58-Y62 WeakPolarHBondContact O-CB 3.49Å; L58-Y62 PolarHBondContact O-N 2.68Å; L58-P99 HydrophobicContact CD2-CB 3.95Å; L58-P99 HydrophobicContact CD2-CG 3.69Å; L58-L101 HydrophobicContact CD2-CD1 3.75Å; L58-L101 HydrophobicContact CD2-CD2 4.29Å; L58-L101 HydrophobicContact CD2-CG 4.48Å; L58-R116 HydrophobicContact CD1-CB 4.08Å; L58-R116 HydrophobicContact CD1-CG 4.48Å; L58-R116 WeakPolarHBondContact CD1-O 3.16Å; L58-I121 HydrophobicContact CD1-CD1 3.98Å
59	A	97.4	Very high	96.6	Very high	43 Å²	43	50.8 Å²	50.8	36%	0.355	28%	0.276	S	S	.	.	H	α-helix	trans	-44.3	-52	-175.3	0	0	0	0	0	115.1	C55 E61 Y62 S63	C55-A59 PolarHBondContact O-N 2.91Å; A59-E61 PolarHBondContact O-N 3.35Å; A59-Y62 PolarHBondContact O-N 3.32Å; A59-S63 PolarHBondContact O-N 2.97Å; A59-S63 PolarHBondContact O-OG 3.4Å
60	P	97.6	Very high	96.5	Very high	81 Å²	81	56.2 Å²	56.2	53%	0.526	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-39.4	178.4	25	-34.8	0	0	0	113.5	K56 A57 Y62 E64	K56-P60 WeakPolarHBondContact O-CD 3.42Å; A57-P60 WeakPolarHBondContact O-CD 3.27Å; P60-Y62 VanDerWaalsContact C-N 3.32Å; P60-E64 WeakPolarHBondContact O-CB 3.12Å; P60-E64 PolarHBondContact O-N 3.46Å
61	E	98	Very high	96.6	Very high	72 Å²	72	59.9 Å²	59.9	34%	0.336	31%	0.311	S	S	.	.	H	α-helix	trans	-66.7	-36.5	176.4	-66.1	-61.1	150.5	0	0	111.5	L58 A59 E64 A65 S118	L58-E61 PolarHBondContact O-N 2.9Å; A59-E61 PolarHBondContact O-N 3.35Å; E61-E64 PolarHBondContact O-N 2.92Å; E61-A65 WeakPolarHBondContact O-CB 3.4Å; E61-A65 PolarHBondContact O-N 3.27Å; E61-S118 VanDerWaalsContact O-CB 3.26Å; E61-S118 WeakPolarHBondContact O-CB 3.19Å; E61-S118 VanDerWaalsContact OE2-CB 3.27Å; E61-S118 WeakPolarHBondContact OE2-CB 3.25Å; E61-S118 PolarHBondContact OE2-N 2.81Å; E61-S118 PolarHBondContact OE2-OG 2.99Å
62	Y	98.3	Very high	96.8	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.008	31%	0.308	C	S	.	.	H	α-helix	trans	-69	-44.5	179.7	-157.7	-107.1	0	0	0	111.9	V25 L44 E46 L58 A59 P60 A65 A66 L78 A79 L101 I121	V25-Y62 HydrophobicContact CG1-CD1 3.98Å; V25-Y62 HydrophobicContact CG1-CE1 3.79Å; V25-Y62 HydrophobicContact CG2-CD1 3.86Å; V25-Y62 HydrophobicContact CG2-CE1 4.35Å; L44-Y62 HydrophobicContact CD2-CE2 3.57Å; L44-Y62 HydrophobicContact CG-CE2 4.09Å; L44-Y62 WeakPolarHBondContact CG-OH 3.43Å; L44-Y62 PolarHBondContact O-OH 3.11Å; E46-Y62 HydrophobicContact CB-CE1 4.03Å; E46-Y62 HydrophobicContact CB-CE2 4.27Å; E46-Y62 PolarHBondContact N-OH 3.39Å; L58-Y62 HydrophobicContact CD1-CD2 4.28Å; L58-Y62 HydrophobicContact CG-CD2 4.45Å; L58-Y62 WeakPolarHBondContact O-CB 3.49Å; L58-Y62 PolarHBondContact O-N 2.68Å; A59-Y62 PolarHBondContact O-N 3.32Å; P60-Y62 VanDerWaalsContact C-N 3.32Å; Y62-A65 PolarHBondContact O-N 3.3Å; Y62-A66 PolarHBondContact O-N 3.06Å; Y62-L78 HydrophobicContact CD1-CB 4.43Å; Y62-L78 HydrophobicContact CD1-CD2 4.02Å; Y62-L78 HydrophobicContact CD2-CD2 3.9Å; Y62-L78 HydrophobicContact CE1-CB 3.8Å; Y62-L78 HydrophobicContact CE1-CD2 3.91Å; Y62-L78 HydrophobicContact CE1-CG 3.95Å; Y62-L78 HydrophobicContact CE2-CD2 3.78Å; Y62-L78 HydrophobicContact CE2-CG 4.1Å; Y62-L78 HydrophobicContact CG-CD2 4.02Å; Y62-L78 VanDerWaalsContact O-CD2 3.24Å; Y62-L78 WeakPolarHBondContact O-CD2 3.34Å; Y62-A79 WeakPolarHBondContact CE1-O 3.26Å; Y62-A79 PolarHBondContact OH-O 2.89Å; Y62-L101 HydrophobicContact CD2-CD2 4.32Å; Y62-L101 HydrophobicContact CE2-CD2 3.8Å; Y62-I121 HydrophobicContact CD2-CD1 4.13Å
63	S	98.2	Very high	96.7	Very high	23 Å²	23	60.6 Å²	60.6	16%	0.161	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-41.7	173	-67.9	0	0	0	0	112.4	D23 A59 A65 A66 K67	D23-S63 WeakPolarHBondContact CB-OG 3.28Å; D23-S63 WeakPolarHBondContact O-CB 3.3Å; D23-S63 PolarHBondContact O-OG 3.39Å; A59-S63 PolarHBondContact O-N 2.97Å; A59-S63 PolarHBondContact O-OG 3.4Å; S63-A65 VanDerWaalsContact C-N 3.35Å; S63-A65 PolarHBondContact O-N 3.08Å; S63-A66 WeakPolarHBondContact O-CB 3.27Å; S63-A66 PolarHBondContact O-N 3.19Å; S63-K67 PolarHBondContact O-N 2.99Å
64	E	98.4	Very high	96.8	Very high	72 Å²	72	59.5 Å²	59.5	34%	0.336	32%	0.321	S	S	.	.	H	α-helix	trans	-64.3	-39.3	175.6	-179.4	60.9	-164.4	0	0	111.7	P60 E61 K67 K68	P60-E64 WeakPolarHBondContact O-CB 3.12Å; P60-E64 PolarHBondContact O-N 3.46Å; E61-E64 PolarHBondContact O-N 2.92Å; E64-K67 PolarHBondContact O-N 2.81Å; E64-K68 HydrophobicContact CG-CD 4.29Å; E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 VanDerWaalsContact O-CG 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.26Å; E64-K68 PolarHBondContact O-N 3.49Å; E64-K68 VanDerWaalsContact OE1-CE 3.22Å; E64-K68 WeakPolarHBondContact OE1-CE 3.33Å
65	A	98.4	Very high	96.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-42.5	172.6	0	0	0	0	0	112.2	E61 Y62 S63 K67 K68 L69 L78 I121 V122	E61-A65 WeakPolarHBondContact O-CB 3.4Å; E61-A65 PolarHBondContact O-N 3.27Å; Y62-A65 PolarHBondContact O-N 3.3Å; S63-A65 VanDerWaalsContact C-N 3.35Å; S63-A65 PolarHBondContact O-N 3.08Å; A65-K67 VanDerWaalsContact C-N 3.35Å; A65-K67 PolarHBondContact O-N 2.95Å; A65-K68 PolarHBondContact O-N 3.44Å; A65-L69 WeakPolarHBondContact O-CG 3.31Å; A65-L69 PolarHBondContact O-N 2.97Å; A65-L78 HydrophobicContact CB-CD2 3.86Å; A65-I121 HydrophobicContact CB-CB 4.02Å; A65-I121 HydrophobicContact CB-CG2 3.8Å; A65-V122 HydrophobicContact CB-CG2 3.94Å
66	A	98.4	Very high	96.9	Very high	7 Å²	7	58.9 Å²	58.9	6%	0.058	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-46.1	178.7	0	0	0	0	0	110.9	D24 V25 Y62 S63 L69 K70 L78	D24-A66 HydrophobicContact CB-CB 4Å; V25-A66 HydrophobicContact CG2-CB 3.95Å; Y62-A66 PolarHBondContact O-N 3.06Å; S63-A66 WeakPolarHBondContact O-CB 3.27Å; S63-A66 PolarHBondContact O-N 3.19Å; A66-L69 PolarHBondContact O-N 3.19Å; A66-K70 WeakPolarHBondContact O-CB 3.38Å; A66-K70 PolarHBondContact O-N 3.03Å; A66-L78 HydrophobicContact CB-CB 3.82Å; A66-L78 HydrophobicContact CB-CD2 3.96Å; A66-L78 HydrophobicContact CB-CG 4.4Å
67	K	98.1	Very high	97	Very high	84 Å²	84	56.4 Å²	56.4	37%	0.365	31%	0.31	S	S	.	.	H	α-helix	trans	-61	-49.3	175.1	-177	-178.8	171.2	-167.2	0	112.3	S63 E64 A65 L69 K70 E71	S63-K67 PolarHBondContact O-N 2.99Å; E64-K67 PolarHBondContact O-N 2.81Å; A65-K67 VanDerWaalsContact C-N 3.35Å; A65-K67 PolarHBondContact O-N 2.95Å; K67-L69 VanDerWaalsContact C-N 3.27Å; K67-L69 PolarHBondContact O-N 3.42Å; K67-K70 WeakPolarHBondContact O-CB 3.24Å; K67-K70 PolarHBondContact O-N 3.4Å; K67-K70 VanDerWaalsContact O-N 3.14Å; K67-E71 WeakPolarHBondContact CE-OE1 3.42Å; K67-E71 HydrophobicContact CG-CG 4.44Å; K67-E71 WeakPolarHBondContact O-CG 3.43Å; K67-E71 PolarHBondContact O-N 2.84Å
68	K	98.3	Very high	97.1	Very high	38 Å²	38	53.4 Å²	53.4	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-39.9	176.7	-76.3	172.7	179.4	175.9	0	112.2	E64 A65 K72 S118 D119 V122	E64-K68 HydrophobicContact CG-CD 4.29Å; E64-K68 WeakPolarHBondContact O-CB 3.49Å; E64-K68 VanDerWaalsContact O-CG 3.31Å; E64-K68 WeakPolarHBondContact O-CG 3.26Å; E64-K68 PolarHBondContact O-N 3.49Å; E64-K68 VanDerWaalsContact OE1-CE 3.22Å; E64-K68 WeakPolarHBondContact OE1-CE 3.33Å; A65-K68 PolarHBondContact O-N 3.44Å; K68-K72 WeakPolarHBondContact O-CB 3.49Å; K68-K72 WeakPolarHBondContact O-CG 3.17Å; K68-K72 PolarHBondContact O-N 2.89Å; K68-K72 VanDerWaalsContact O-N 3.11Å; K68-S118 PolarHBondContact NZ-OG 2.93Å; K68-D119 VanDerWaalsContact NZ-CG 3.34Å; K68-D119 IonicContact NZ-OD1 3.65Å; K68-D119 PolarHBondContact NZ-OD1 3.47Å; K68-D119 IonicContact NZ-OD2 2.66Å; K68-V122 HydrophobicContact CB-CG2 3.82Å; K68-V122 HydrophobicContact CD-CG2 4.11Å
69	L	97.8	Very high	97.2	Very high	1 Å²	1	53 Å²	53	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-68.9	-41.7	177.4	-74.8	166	0	0	0	112.2	A65 A66 K67 K72 G73 S74 I76 L78 V122 L126	A65-L69 WeakPolarHBondContact O-CG 3.31Å; A65-L69 PolarHBondContact O-N 2.97Å; A66-L69 PolarHBondContact O-N 3.19Å; K67-L69 VanDerWaalsContact C-N 3.27Å; K67-L69 PolarHBondContact O-N 3.42Å; L69-K72 PolarHBondContact O-N 3.5Å; L69-G73 PolarHBondContact O-N 3.36Å; L69-S74 WeakPolarHBondContact O-CB 3.18Å; L69-S74 PolarHBondContact O-N 3.38Å; L69-I76 HydrophobicContact CD1-CB 4.15Å; L69-I76 HydrophobicContact CD1-CG2 3.75Å; L69-I76 HydrophobicContact CD2-CB 4.28Å; L69-I76 HydrophobicContact CD2-CD1 3.76Å; L69-L78 HydrophobicContact CD1-CD1 3.38Å; L69-V122 HydrophobicContact CD2-CG1 4.1Å; L69-V122 HydrophobicContact CG-CG1 4.49Å; L69-V122 HydrophobicContact CG-CG2 4.16Å; L69-L126 HydrophobicContact CD2-CD2 4.15Å; L69-L126 HydrophobicContact CD2-CG 4.15Å
70	K	95.7	Very high	97.3	Very high	115 Å²	115	52.4 Å²	52.4	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-44.8	175.3	-172	173.6	-179.7	171.9	0	111.7	D24 A66 K67 K72 G73	D24-K70 VanDerWaalsContact OD1-CD 3.28Å; D24-K70 WeakPolarHBondContact OD1-CD 3.4Å; D24-K70 IonicContact OD1-NZ 2.67Å; D24-K70 PolarHBondContact OD1-NZ 3.35Å; A66-K70 WeakPolarHBondContact O-CB 3.38Å; A66-K70 PolarHBondContact O-N 3.03Å; K67-K70 WeakPolarHBondContact O-CB 3.24Å; K67-K70 PolarHBondContact O-N 3.4Å; K67-K70 VanDerWaalsContact O-N 3.14Å; K70-K72 VanDerWaalsContact C-N 3.3Å; K70-K72 PolarHBondContact O-N 2.67Å; K70-G73 PolarHBondContact O-N 2.92Å
71	E	96.7	Very high	97.3	Very high	137 Å²	137	48.6 Å²	48.6	64%	0.64	25%	0.247	S	C	*	.	H	α-helix	trans	-63.5	-33.2	176.3	-73	177.9	174.8	0	0	112.9	K67 G73	K67-E71 WeakPolarHBondContact CE-OE1 3.42Å; K67-E71 HydrophobicContact CG-CG 4.44Å; K67-E71 WeakPolarHBondContact O-CG 3.43Å; K67-E71 PolarHBondContact O-N 2.84Å; E71-G73 PolarHBondContact O-N 3.39Å
72	K	95.6	Very high	97.3	Very high	138 Å²	138	46.6 Å²	46.6	60%	0.6	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.9	172.3	-72.1	171.2	-171.1	-65.8	0	113.6	K68 L69 K70 S74 V122 L126	K68-K72 WeakPolarHBondContact O-CB 3.49Å; K68-K72 WeakPolarHBondContact O-CG 3.17Å; K68-K72 PolarHBondContact O-N 2.89Å; K68-K72 VanDerWaalsContact O-N 3.11Å; L69-K72 PolarHBondContact O-N 3.5Å; K70-K72 VanDerWaalsContact C-N 3.3Å; K70-K72 PolarHBondContact O-N 2.67Å; K72-S74 PolarHBondContact O-N 3.1Å; K72-V122 HydrophobicContact CD-CG1 4.35Å; K72-L126 HydrophobicContact CD-CD1 4.32Å
73	G	93.4	Very high	97.2	Very high	65 Å²	65	46.6 Å²	46.6	67%	0.67	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	25.5	-174.3	0	0	0	0	0	113.2	L69 K70 E71	L69-G73 PolarHBondContact O-N 3.36Å; K70-G73 PolarHBondContact O-N 2.92Å; E71-G73 PolarHBondContact O-N 3.39Å
74	S	94.2	Very high	97	Very high	27 Å²	27	47.7 Å²	47.7	19%	0.189	25%	0.245	C	C	.	.			trans	-69.6	148.7	-177.8	-173.7	0	0	0	0	112.2	L69 K72 I76	L69-S74 WeakPolarHBondContact O-CB 3.18Å; L69-S74 PolarHBondContact O-N 3.38Å; K72-S74 PolarHBondContact O-N 3.1Å; S74-I76 PolarHBondContact O-N 3.28Å; S74-I76 WeakPolarHBondContact OG-CB 3.36Å; S74-I76 VanDerWaalsContact OG-CD1 3.3Å; S74-I76 WeakPolarHBondContact OG-CD1 2.88Å; S74-I76 VanDerWaalsContact OG-CG1 3.3Å; S74-I76 WeakPolarHBondContact OG-CG1 3.29Å; S74-I76 PolarHBondContact OG-N 3.43Å; S74-I76 VanDerWaalsContact OG-N 3.16Å
75	L	94	Very high	96.9	Very high	120 Å²	120	49 Å²	49	63%	0.628	26%	0.258	S	S	*	.	S	Bend	trans	-75.2	-9.7	169.4	-64.5	179.1	0	0	0	113	F42	F42-L75 HydrophobicContact CD2-CB 4.22Å
76	I	97.6	Very high	96.9	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	129.1	-179.5	-57.7	158.6	0	0	0	110.1	F42 L69 S74 L78 F103 C125 L126 S129	F42-I76 HydrophobicContact CB-CB 4.34Å; F42-I76 HydrophobicContact CB-CG1 3.9Å; F42-I76 HydrophobicContact CD2-CG1 4.32Å; F42-I76 HydrophobicContact CG-CG1 4.36Å; L69-I76 HydrophobicContact CD1-CB 4.15Å; L69-I76 HydrophobicContact CD1-CG2 3.75Å; L69-I76 HydrophobicContact CD2-CB 4.28Å; L69-I76 HydrophobicContact CD2-CD1 3.76Å; S74-I76 PolarHBondContact O-N 3.28Å; S74-I76 WeakPolarHBondContact OG-CB 3.36Å; S74-I76 VanDerWaalsContact OG-CD1 3.3Å; S74-I76 WeakPolarHBondContact OG-CD1 2.88Å; S74-I76 VanDerWaalsContact OG-CG1 3.3Å; S74-I76 WeakPolarHBondContact OG-CG1 3.29Å; S74-I76 PolarHBondContact OG-N 3.43Å; S74-I76 VanDerWaalsContact OG-N 3.16Å; I76-L78 HydrophobicContact CG2-CD1 4.09Å; I76-F103 HydrophobicContact CG2-CE2 4.27Å; I76-C125 HydrophobicContact CD1-CB 3.85Å; I76-C125 HydrophobicContact CG2-CB 4.13Å; I76-L126 HydrophobicContact CD1-CD2 3.87Å; I76-L126 HydrophobicContact CD1-CG 4.29Å; I76-S129 WeakPolarHBondContact CD1-OG 3.47Å; I76-S129 WeakPolarHBondContact CG1-OG 3.48Å
77	K	98.1	Very high	96.7	Very high	80 Å²	80	57.1 Å²	57.1	35%	0.348	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	144.1	170.4	-56.2	-57.4	-179.7	-179.2	0	110.7	L26 N40 F42 V43 L44	L26-K77 HydrophobicContact CD1-CB 3.85Å; L26-K77 HydrophobicContact CD1-CG 4.28Å; N40-K77 HydrophobicContact CB-CG 4.42Å; N40-K77 WeakPolarHBondContact OD1-CG 3.41Å; F42-K77 PolarHBondContact O-N 2.99Å; V43-K77 CarbonylContact C-O 3.43Å; V43-K77 VanDerWaalsContact CA-O 3.28Å; V43-K77 WeakPolarHBondContact CA-O 3.45Å; V43-K77 HydrophobicContact CG1-CB 4.45Å; V43-K77 HydrophobicContact CG2-CB 4.44Å; L44-K77 PolarHBondContact N-O 2.9Å
78	L	98.6	Very high	96.5	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138.9	167.7	-92.1	63.3	0	0	0	108.6	L26 L44 Y62 A65 A66 L69 I76 I121	L26-L78 PolarHBondContact N-O 3.26Å; L44-L78 HydrophobicContact CB-CD1 4.07Å; L44-L78 HydrophobicContact CB-CG 4.12Å; L44-L78 HydrophobicContact CD2-CD1 4.44Å; L44-L78 HydrophobicContact CD2-CD2 4.49Å; L44-L78 HydrophobicContact CD2-CG 4.22Å; L44-L78 CarbonylContact O-C 3.56Å; L44-L78 WeakPolarHBondContact O-CA 3.35Å; Y62-L78 HydrophobicContact CD1-CB 4.43Å; Y62-L78 HydrophobicContact CD1-CD2 4.02Å; Y62-L78 HydrophobicContact CD2-CD2 3.9Å; Y62-L78 HydrophobicContact CE1-CB 3.8Å; Y62-L78 HydrophobicContact CE1-CD2 3.91Å; Y62-L78 HydrophobicContact CE1-CG 3.95Å; Y62-L78 HydrophobicContact CE2-CD2 3.78Å; Y62-L78 HydrophobicContact CE2-CG 4.1Å; Y62-L78 HydrophobicContact CG-CD2 4.02Å; Y62-L78 VanDerWaalsContact O-CD2 3.24Å; Y62-L78 WeakPolarHBondContact O-CD2 3.34Å; A65-L78 HydrophobicContact CB-CD2 3.86Å; A66-L78 HydrophobicContact CB-CB 3.82Å; A66-L78 HydrophobicContact CB-CD2 3.96Å; A66-L78 HydrophobicContact CB-CG 4.4Å; L69-L78 HydrophobicContact CD1-CD1 3.38Å; I76-L78 HydrophobicContact CG2-CD1 4.09Å; L78-I121 HydrophobicContact CD2-CG2 4.35Å
79	A	98.6	Very high	96.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	158.1	-176.6	0	0	0	0	0	110.5	L26 L28 V43 L44 V45 E46 Y62	L26-A79 HydrophobicContact CB-CB 3.96Å; L26-A79 CarbonylContact O-C 3.54Å; L26-A79 WeakPolarHBondContact O-CA 3.46Å; L28-A79 HydrophobicContact CD1-CB 3.51Å; L28-A79 HydrophobicContact CG-CB 3.84Å; V43-A79 HydrophobicContact CG1-CB 3.78Å; L44-A79 PolarHBondContact O-N 3.48Å; V45-A79 CarbonylContact C-O 3.51Å; V45-A79 WeakPolarHBondContact CA-O 3.28Å; V45-A79 HydrophobicContact CG2-CB 4.13Å; E46-A79 PolarHBondContact N-O 2.81Å; Y62-A79 WeakPolarHBondContact CE1-O 3.26Å; Y62-A79 PolarHBondContact OH-O 2.89Å
80	K	98.5	Very high	96.3	Very high	30 Å²	30	58.1 Å²	58.1	13%	0.13	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.2	175.8	66.8	-174.6	179.5	-176.1	0	111.7	E22 V25 L26 L28 E46 Y48	E22-K80 WeakPolarHBondContact OE2-CE 3.4Å; E22-K80 IonicContact OE2-NZ 3.16Å; E22-K80 PolarHBondContact OE2-NZ 2.87Å; V25-K80 HydrophobicContact CG1-CB 4.01Å; V25-K80 HydrophobicContact CG1-CD 4Å; V25-K80 HydrophobicContact CG1-CG 3.86Å; L26-K80 PolarHBondContact O-N 3.49Å; L28-K80 PolarHBondContact N-O 2.99Å; E46-K80 HydrophobicContact CB-CB 4.37Å; E46-K80 CarbonylContact O-C 3.49Å; E46-K80 VanDerWaalsContact O-CA 3.27Å; E46-K80 WeakPolarHBondContact O-CA 3.3Å; Y48-K80 HydrophobicContact CD1-CB 4.01Å; Y48-K80 HydrophobicContact CE1-CB 3.89Å; Y48-K80 HydrophobicContact CE1-CD 4.08Å; Y48-K80 HydrophobicContact CE1-CG 3.97Å
81	V	98.5	Very high	96.2	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	123.5	178.2	174.4	0	0	0	0	108	L28 F33 V45 E46 F47 Y48 A83 E86 L89	L28-V81 HydrophobicContact CB-CG2 3.75Å; F33-V81 HydrophobicContact CD2-CG2 4.01Å; F33-V81 HydrophobicContact CE2-CG2 4.14Å; V45-V81 HydrophobicContact CG1-CB 4.48Å; V45-V81 HydrophobicContact CG1-CG2 3.8Å; E46-V81 PolarHBondContact O-N 2.76Å; F47-V81 HydrophobicContact CD1-CB 3.83Å; F47-V81 HydrophobicContact CD1-CG1 3.88Å; F47-V81 HydrophobicContact CD1-CG2 4.42Å; F47-V81 HydrophobicContact CE1-CB 4.03Å; F47-V81 HydrophobicContact CE1-CG1 4.01Å; F47-V81 HydrophobicContact CE1-CG2 4.15Å; Y48-V81 VanDerWaalsContact CD1-C 3.5Å; Y48-V81 WeakPolarHBondContact CD1-O 3.37Å; Y48-V81 VanDerWaalsContact CE1-C 3.44Å; Y48-V81 PolarHBondContact N-O 3.34Å; V81-A83 PolarHBondContact O-N 2.85Å; V81-E86 HydrophobicContact CG1-CB 3.73Å; V81-E86 HydrophobicContact CG1-CG 4.05Å; V81-L89 HydrophobicContact CG1-CD2 3.99Å; V81-L89 HydrophobicContact CG2-CD2 4.24Å
82	D	97.9	Very high	96.2	Very high	31 Å²	31	60.8 Å²	60.8	17%	0.166	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	99.7	168.3	-174	-18.9	0	0	0	108.7	Y48 P50 T84 V85 E86	Y48-D82 HydrophobicContact CE1-CB 4.12Å; Y48-D82 HydrophobicContact CE2-CB 4.47Å; P50-D82 WeakPolarHBondContact CD-OD1 3.3Å; P50-D82 WeakPolarHBondContact CD-OD2 3.34Å; P50-D82 WeakPolarHBondContact CG-OD2 3.27Å; D82-T84 PolarHBondContact O-N 2.88Å; D82-T84 WeakPolarHBondContact OD1-CA 3.35Å; D82-T84 WeakPolarHBondContact OD1-CB 3.08Å; D82-T84 PolarHBondContact OD1-N 2.97Å; D82-T84 PolarHBondContact OD1-OG1 2.79Å; D82-V85 HydrophobicContact CB-CB 4.36Å; D82-V85 HydrophobicContact CB-CG2 4.33Å; D82-V85 PolarHBondContact O-N 3.26Å; D82-V85 VanDerWaalsContact O-N 3.12Å; D82-V85 PolarHBondContact OD1-N 2.8Å; D82-E86 WeakPolarHBondContact O-CB 3.43Å; D82-E86 PolarHBondContact O-N 3.08Å
83	A	97.2	Very high	96.1	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.008	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.4	-177.8	0	0	0	0	0	113.2	F47 Y48 V81 A90 Y98	F47-A83 HydrophobicContact CB-CB 4.28Å; Y48-A83 PolarHBondContact O-N 2.84Å; V81-A83 PolarHBondContact O-N 2.85Å; A83-A90 HydrophobicContact CB-CB 3.66Å; A83-Y98 HydrophobicContact CB-CD1 4.22Å; A83-Y98 HydrophobicContact CB-CE1 3.34Å
84	T	94	Very high	96.1	Very high	47 Å²	47	54.6 Å²	54.6	29%	0.288	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-14.9	170.8	71.9	0	0	0	0	112.7	A49 D82	A49-T84 HydrophobicContact CB-CG2 3.44Å; A49-T84 VanDerWaalsContact CB-CG2 3.44Å; D82-T84 PolarHBondContact O-N 2.88Å; D82-T84 WeakPolarHBondContact OD1-CA 3.35Å; D82-T84 WeakPolarHBondContact OD1-CB 3.08Å; D82-T84 PolarHBondContact OD1-N 2.97Å; D82-T84 PolarHBondContact OD1-OG1 2.79Å
85	V	96.1	Very high	96	Very high	99 Å²	99	54.3 Å²	54.3	60%	0.6	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-41.5	172.8	177.4	0	0	0	0	110.2	D82 E87	D82-V85 HydrophobicContact CB-CB 4.36Å; D82-V85 HydrophobicContact CB-CG2 4.33Å; D82-V85 PolarHBondContact O-N 3.26Å; D82-V85 VanDerWaalsContact O-N 3.12Å; D82-V85 PolarHBondContact OD1-N 2.8Å; V85-E87 PolarHBondContact O-N 2.74Å
86	E	96.8	Very high	95.9	Very high	39 Å²	39	58.6 Å²	58.6	18%	0.182	29%	0.29	C	S	.	.			trans	-100.3	50.3	-174.7	-56.7	-65.7	154.7	0	0	111.7	N29 K30 V81 D82 E88 L89 A90	N29-E86 HydrophobicContact CB-CG 4.26Å; N29-E86 VanDerWaalsContact CB-OE1 3.3Å; N29-E86 WeakPolarHBondContact CB-OE1 3.34Å; K30-E86 WeakPolarHBondContact CB-OE2 3.41Å; K30-E86 PolarHBondContact N-OE2 2.94Å; V81-E86 HydrophobicContact CG1-CB 3.73Å; V81-E86 HydrophobicContact CG1-CG 4.05Å; D82-E86 WeakPolarHBondContact O-CB 3.43Å; D82-E86 PolarHBondContact O-N 3.08Å; E86-E88 PolarHBondContact O-N 2.58Å; E86-L89 HydrophobicContact CB-CB 4.18Å; E86-L89 HydrophobicContact CB-CD2 4.4Å; E86-L89 WeakPolarHBondContact O-CB 3.09Å; E86-L89 PolarHBondContact O-N 3.47Å; E86-L89 VanDerWaalsContact O-N 3.11Å; E86-A90 PolarHBondContact O-N 3.07Å
87	E	95	Very high	95.7	Very high	138 Å²	138	59.8 Å²	59.8	65%	0.645	30%	0.304	S	S	*	.	H	α-helix	trans	-57.2	-43.3	-171.6	-64.7	-176.2	179.1	0	0	113.3	V85 L89 A90 F91	V85-E87 PolarHBondContact O-N 2.74Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.25Å; E87-A90 PolarHBondContact O-N 2.93Å; E87-F91 WeakPolarHBondContact O-CB 3.42Å; E87-F91 PolarHBondContact O-N 3.31Å
88	E	94.5	Very high	95.5	Very high	132 Å²	132	59.5 Å²	59.5	62%	0.617	30%	0.301	S	S	*	.	H	α-helix	trans	-63.1	-38.4	178.3	-70.3	-178.3	-168.9	0	0	112.4	K30 E86 F91 K92	K30-E88 IonicContact NZ-OE2 3.47Å; K30-E88 PolarHBondContact NZ-OE2 2.86Å; E86-E88 PolarHBondContact O-N 2.58Å; E88-F91 PolarHBondContact O-N 2.94Å; E88-K92 WeakPolarHBondContact O-CB 3.46Å; E88-K92 PolarHBondContact O-N 3.41Å
89	L	95.4	Very high	95.4	Very high	9 Å²	9	59.6 Å²	59.6	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-69.4	-44.2	178.4	178.8	62.5	0	0	0	110.1	F33 F47 V81 E86 E87 F91 K92 H93	F33-L89 HydrophobicContact CB-CD1 4.38Å; F33-L89 HydrophobicContact CB-CD2 3.91Å; F33-L89 HydrophobicContact CD1-CD1 3.76Å; F33-L89 HydrophobicContact CD2-CD1 4.27Å; F33-L89 HydrophobicContact CD2-CD2 3.67Å; F33-L89 HydrophobicContact CD2-CG 4.41Å; F33-L89 HydrophobicContact CE1-CD1 4.04Å; F33-L89 HydrophobicContact CE2-CD1 4.5Å; F33-L89 HydrophobicContact CE2-CD2 4.29Å; F33-L89 HydrophobicContact CG-CD1 3.87Å; F33-L89 HydrophobicContact CG-CD2 3.78Å; F33-L89 HydrophobicContact CG-CG 4.41Å; F33-L89 HydrophobicContact CZ-CD1 4.39Å; F47-L89 HydrophobicContact CE1-CG 4.27Å; V81-L89 HydrophobicContact CG1-CD2 3.99Å; V81-L89 HydrophobicContact CG2-CD2 4.24Å; E86-L89 HydrophobicContact CB-CB 4.18Å; E86-L89 HydrophobicContact CB-CD2 4.4Å; E86-L89 WeakPolarHBondContact O-CB 3.09Å; E86-L89 PolarHBondContact O-N 3.47Å; E86-L89 VanDerWaalsContact O-N 3.11Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.25Å; L89-F91 VanDerWaalsContact C-N 3.33Å; L89-F91 PolarHBondContact O-N 2.88Å; L89-K92 PolarHBondContact O-N 3.12Å; L89-H93 PolarHBondContact O-CD2 2.84Å; L89-H93 VanDerWaalsContact O-CD2 3.25Å; L89-H93 PolarHBondContact O-N 2.92Å
90	A	96	Very high	95.3	Very high	4 Å²	4	61 Å²	61	3%	0.033	31%	0.31	C	S	.	.	H	α-helix	trans	-59.8	-43.6	174.2	0	0	0	0	0	111.6	F47 A83 E86 E87 H93 G94 V95	F47-A90 HydrophobicContact CD1-CB 4.22Å; A83-A90 HydrophobicContact CB-CB 3.66Å; E86-A90 PolarHBondContact O-N 3.07Å; E87-A90 PolarHBondContact O-N 2.93Å; A90-H93 PolarHBondContact O-N 3.44Å; A90-G94 PolarHBondContact O-N 3.25Å; A90-V95 HydrophobicContact CB-CB 4.03Å; A90-V95 HydrophobicContact CB-CG1 4.47Å; A90-V95 HydrophobicContact CB-CG2 4.14Å; A90-V95 WeakPolarHBondContact O-CB 3.43Å; A90-V95 VanDerWaalsContact O-CG2 3.32Å; A90-V95 WeakPolarHBondContact O-CG2 3.46Å; A90-V95 PolarHBondContact O-N 3.07Å
91	F	94.1	Very high	95.3	Very high	176 Å²	176	59.8 Å²	59.8	77%	0.772	31%	0.305	S	S	*	.	H	α-helix	trans	-62.2	-46.9	175.9	-178.7	-95.6	0	0	0	112.2	E87 E88 L89 H93 G94	E87-F91 WeakPolarHBondContact O-CB 3.42Å; E87-F91 PolarHBondContact O-N 3.31Å; E88-F91 PolarHBondContact O-N 2.94Å; L89-F91 VanDerWaalsContact C-N 3.33Å; L89-F91 PolarHBondContact O-N 2.88Å; F91-H93 PolarHBondContact O-N 2.94Å; F91-H93 VanDerWaalsContact O-N 3.16Å; F91-G94 PolarHBondContact O-N 3.43Å
92	K	95	Very high	95.2	Very high	131 Å²	131	60.7 Å²	60.7	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-53.7	-35.7	176.8	178.4	-174.3	173.2	-168.8	0	112.2	D34 E88 L89	D34-K92 IonicContact OD1-NZ 2.86Å; D34-K92 PolarHBondContact OD1-NZ 2.87Å; E88-K92 WeakPolarHBondContact O-CB 3.46Å; E88-K92 PolarHBondContact O-N 3.41Å; L89-K92 PolarHBondContact O-N 3.12Å
93	H	94.4	Very high	95.1	Very high	29 Å²	29	59.2 Å²	59.2	13%	0.134	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3	178.7	-70	-68.6	0	0	0	113.8	F33 F47 L89 A90 F91 K102 F104	F33-H93 AromaticContact CE1-CE1 3.87Å; F33-H93 AromaticContact CE1-NE2 3.24Å; F33-H93 WeakPolarHBondContact CE1-NE2 3.33Å; F33-H93 AromaticContact CZ-CD2 3.98Å; F33-H93 AromaticContact CZ-NE2 3.53Å; F47-H93 HydrophobicContact CE2-CB 4.36Å; F47-H93 HydrophobicContact CZ-CB 4.01Å; F47-H93 AromaticContact CZ-CD2 3.88Å; L89-H93 PolarHBondContact O-CD2 2.84Å; L89-H93 VanDerWaalsContact O-CD2 3.25Å; L89-H93 PolarHBondContact O-N 2.92Å; A90-H93 PolarHBondContact O-N 3.44Å; F91-H93 PolarHBondContact O-N 2.94Å; F91-H93 VanDerWaalsContact O-N 3.16Å; H93-K102 HydrophobicContact CB-CD 3.92Å; H93-K102 WeakPolarHBondContact O-CE 3.11Å; H93-K102 PolarHBondContact O-NZ 3.46Å; H93-F104 AromaticContact CE1-CE1 3.59Å; H93-F104 AromaticContact CE1-CZ 3.6Å; H93-F104 AromaticContact ND1-CE1 3.89Å; H93-F104 AromaticContact ND1-CZ 3.63Å
94	G	93.4	Very high	95.1	Very high	44 Å²	44	59.3 Å²	59.3	45%	0.454	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	31.8	176	0	0	0	0	0	113.9	A90 F91 K96	A90-G94 PolarHBondContact O-N 3.25Å; F91-G94 PolarHBondContact O-N 3.43Å; G94-K96 PolarHBondContact O-N 3.43Å
95	V	92.9	Very high	94.9	Very high	22 Å²	22	58.1 Å²	58.1	13%	0.133	29%	0.292	C	S	.	.			trans	-70	118.1	175.6	177.6	0	0	0	0	109.7	F47 A90 Y98 T100	F47-V95 HydrophobicContact CB-CG1 4.06Å; F47-V95 HydrophobicContact CB-CG2 3.75Å; F47-V95 HydrophobicContact CD1-CG2 3.84Å; F47-V95 HydrophobicContact CD2-CG2 3.77Å; F47-V95 HydrophobicContact CE1-CG2 4.37Å; F47-V95 HydrophobicContact CE2-CG2 4.32Å; F47-V95 HydrophobicContact CG-CG2 3.5Å; A90-V95 HydrophobicContact CB-CB 4.03Å; A90-V95 HydrophobicContact CB-CG1 4.47Å; A90-V95 HydrophobicContact CB-CG2 4.14Å; A90-V95 WeakPolarHBondContact O-CB 3.43Å; A90-V95 VanDerWaalsContact O-CG2 3.32Å; A90-V95 WeakPolarHBondContact O-CG2 3.46Å; A90-V95 PolarHBondContact O-N 3.07Å; V95-Y98 HydrophobicContact CG1-CD1 4.1Å; V95-Y98 HydrophobicContact CG1-CE1 3.67Å; V95-T100 HydrophobicContact CG2-CG2 4.11Å
96	K	91.5	Very high	94.5	Very high	209 Å²	209	56.1 Å²	56.1	91%	0.909	28%	0.278	S	S	*	.			trans	-110.6	-3.9	-178.3	-63.7	178.4	-176.5	176.8	0	114	G94	G94-K96 PolarHBondContact O-N 3.43Å
97	G	92.4	Very high	94.2	Very high	32 Å²	32	59.2 Å²	59.2	33%	0.33	29%	0.292	S	S	.	.	S	Bend	trans	-177.6	173.3	-176.7	0	0	0	0	0	111.5	T100	G97-T100 PolarHBondContact O-OG1 3.34Å
98	Y	94.3	Very high	93.9	Very high	74 Å²	74	56.4 Å²	56.4	29%	0.29	28%	0.279	S	S	.	.	S	Bend	trans	-125.7	140.7	-170.7	-51.6	-57.9	0	0	0	113.3	A49 W51 A83 V95	A49-Y98 HydrophobicContact CB-CD2 3.54Å; A49-Y98 HydrophobicContact CB-CE2 3.9Å; A49-Y98 HydrophobicContact CB-CG 3.93Å; W51-Y98 HydrophobicContact CH2-CD2 4.22Å; W51-Y98 HydrophobicContact CH2-CE2 4.49Å; W51-Y98 HydrophobicContact CZ2-CD2 4.39Å; W51-Y98 HydrophobicContact CZ2-CE2 4.33Å; A83-Y98 HydrophobicContact CB-CD1 4.22Å; A83-Y98 HydrophobicContact CB-CE1 3.34Å; V95-Y98 HydrophobicContact CG1-CD1 4.1Å; V95-Y98 HydrophobicContact CG1-CE1 3.67Å
99	P	96.6	Very high	93.8	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.026	27%	0.27	C	S	.	.	S	Bend	cis	-74.9	146.4	-12	27.9	-29	0	0	0	111.2	E46 F47 L58 L101 R116	E46-P99 HydrophobicContact CG-CB 3.95Å; E46-P99 WeakPolarHBondContact OE1-CB 3.39Å; F47-P99 WeakPolarHBondContact O-CA 3.35Å; L58-P99 HydrophobicContact CD2-CB 3.95Å; L58-P99 HydrophobicContact CD2-CG 3.69Å; P99-L101 HydrophobicContact CB-CD1 3.97Å; P99-L101 HydrophobicContact CG-CD1 4.33Å; P99-R116 VanDerWaalsContact CG-NH1 3.3Å; P99-R116 PolarHBondContact O-NH2 2.71Å
100	T	97	Very high	93.5	Very high	29 Å²	29	54.1 Å²	54.1	18%	0.178	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.6	166.5	-71.1	0	0	0	0	108.3	F47 V95 G97 K102	F47-T100 PolarHBondContact N-O 3.39Å; F47-T100 PolarHBondContact O-N 3.26Å; V95-T100 HydrophobicContact CG2-CG2 4.11Å; G97-T100 PolarHBondContact O-OG1 3.34Å; T100-K102 HydrophobicContact CG2-CG 4.41Å
101	L	98	Very high	93.3	Very high	6 Å²	6	59.1 Å²	59.1	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	131.8	-178.5	-76.2	78.7	0	0	0	109.5	L44 V45 E46 L58 Y62 P99 F112	L44-L101 HydrophobicContact CD1-CB 4.38Å; L44-L101 HydrophobicContact CD2-CD2 4.19Å; V45-L101 CarbonylContact O-C 3.58Å; V45-L101 VanDerWaalsContact O-CA 3.3Å; V45-L101 WeakPolarHBondContact O-CA 3.17Å; E46-L101 HydrophobicContact CB-CG 4.45Å; E46-L101 HydrophobicContact CG-CD1 4.35Å; E46-L101 HydrophobicContact CG-CG 4.45Å; L58-L101 HydrophobicContact CD2-CD1 3.75Å; L58-L101 HydrophobicContact CD2-CD2 4.29Å; L58-L101 HydrophobicContact CD2-CG 4.48Å; Y62-L101 HydrophobicContact CD2-CD2 4.32Å; Y62-L101 HydrophobicContact CE2-CD2 3.8Å; P99-L101 HydrophobicContact CB-CD1 3.97Å; P99-L101 HydrophobicContact CG-CD1 4.33Å; L101-F112 HydrophobicContact CB-CB 3.46Å; L101-F112 VanDerWaalsContact CB-CB 3.46Å; L101-F112 HydrophobicContact CB-CD1 4.08Å; L101-F112 HydrophobicContact CB-CG 3.9Å; L101-F112 HydrophobicContact CD2-CD1 3.94Å; L101-F112 HydrophobicContact CD2-CE1 4.24Å; L101-F112 HydrophobicContact CD2-CG 4.16Å; L101-F112 WeakPolarHBondContact O-CB 3.35Å; L101-F112 PolarHBondContact O-N 2.79Å
102	K	97.2	Very high	93.3	Very high	18 Å²	18	51.8 Å²	51.8	8%	0.078	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.1	177.5	-70.4	-178.5	-175.8	-88	0	110.4	V45 F47 H93 T100 F104 I110 D111	V45-K102 PolarHBondContact N-O 3.21Å; V45-K102 PolarHBondContact O-N 2.97Å; F47-K102 HydrophobicContact CE2-CB 4.38Å; F47-K102 HydrophobicContact CE2-CD 4.12Å; F47-K102 HydrophobicContact CE2-CG 4.46Å; H93-K102 HydrophobicContact CB-CD 3.92Å; H93-K102 WeakPolarHBondContact O-CE 3.11Å; H93-K102 PolarHBondContact O-NZ 3.46Å; T100-K102 HydrophobicContact CG2-CG 4.41Å; K102-F104 HydrophobicContact CB-CD2 4.38Å; K102-F104 HydrophobicContact CB-CE2 3.72Å; K102-F104 HydrophobicContact CB-CZ 4.28Å; K102-I110 WeakPolarHBondContact CA-O 3.46Å; K102-D111 IonicContact NZ-OD1 3Å; K102-D111 PolarHBondContact NZ-OD1 3.47Å
103	F	96.3	Very high	92.8	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	110.9	175.9	-177	-105.8	0	0	0	109.7	F42 V43 L44 I76 R105 I110 W124 C125 K128 S129	F42-F103 HydrophobicContact CB-CE2 4.04Å; F42-F103 HydrophobicContact CB-CZ 3.78Å; F42-F103 HydrophobicContact CD1-CE1 4.07Å; F42-F103 AromaticContact CD1-CZ 3.64Å; F42-F103 HydrophobicContact CD1-CZ 3.64Å; F42-F103 HydrophobicContact CG-CZ 4.02Å; V43-F103 CarbonylContact O-C 3.54Å; L44-F103 HydrophobicContact CB-CD2 4.12Å; L44-F103 HydrophobicContact CD1-CB 3.86Å; L44-F103 HydrophobicContact CD1-CD2 4.24Å; I76-F103 HydrophobicContact CG2-CE2 4.27Å; F103-R105 HydrophobicContact CD1-CB 4.37Å; F103-R105 HydrophobicContact CE1-CB 3.99Å; F103-I110 HydrophobicContact CD1-CD1 4.4Å; F103-I110 PolarHBondContact N-O 3.37Å; F103-I110 PolarHBondContact O-N 3.22Å; F103-W124 HydrophobicContact CB-CH2 3.77Å; F103-W124 HydrophobicContact CB-CZ3 3.51Å; F103-W124 HydrophobicContact CD1-CZ3 4.17Å; F103-W124 HydrophobicContact CD2-CZ3 4.23Å; F103-W124 HydrophobicContact CG-CH2 4.29Å; F103-W124 AromaticContact CG-CZ3 3.72Å; F103-W124 HydrophobicContact CG-CZ3 3.72Å; F103-C125 HydrophobicContact CE2-CB 4.25Å; F103-K128 HydrophobicContact CD1-CB 3.86Å; F103-K128 HydrophobicContact CE1-CB 3.59Å; F103-K128 HydrophobicContact CZ-CB 4.21Å; F103-S129 WeakPolarHBondContact CZ-OG 3.31Å
104	F	95.2	Very high	92.4	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.018	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.8	175.3	-67	-96.6	0	0	0	109.3	F33 I37 F42 V43 V45 H93 K102 Q108 P109	F33-F104 HydrophobicContact CE1-CE1 4.36Å; F33-F104 HydrophobicContact CE1-CZ 4.21Å; F33-F104 HydrophobicContact CZ-CE1 4.15Å; F33-F104 AromaticContact CZ-CE2 3.91Å; F33-F104 HydrophobicContact CZ-CE2 3.91Å; F33-F104 AromaticContact CZ-CZ 3.58Å; F33-F104 HydrophobicContact CZ-CZ 3.58Å; I37-F104 HydrophobicContact CD1-CB 3.9Å; I37-F104 HydrophobicContact CD1-CD1 4.14Å; I37-F104 HydrophobicContact CD1-CD2 3.75Å; I37-F104 HydrophobicContact CD1-CE2 4.33Å; I37-F104 HydrophobicContact CD1-CG 3.64Å; I37-F104 HydrophobicContact CG1-CD1 4.28Å; I37-F104 HydrophobicContact CG1-CG 4.29Å; I37-F104 HydrophobicContact CG2-CB 4.12Å; I37-F104 HydrophobicContact CG2-CD1 3.7Å; I37-F104 HydrophobicContact CG2-CE1 4.43Å; I37-F104 HydrophobicContact CG2-CG 4.09Å; F42-F104 CarbonylContact C-O 3.39Å; F42-F104 VanDerWaalsContact CA-O 3.3Å; F42-F104 WeakPolarHBondContact CA-O 3.4Å; V43-F104 HydrophobicContact CB-CB 4.37Å; V43-F104 PolarHBondContact N-O 3.47Å; V43-F104 PolarHBondContact O-N 3.34Å; V45-F104 HydrophobicContact CB-CD2 4.29Å; V45-F104 HydrophobicContact CB-CE2 3.95Å; V45-F104 HydrophobicContact CG2-CD2 3.6Å; V45-F104 HydrophobicContact CG2-CE2 3.58Å; H93-F104 AromaticContact CE1-CE1 3.59Å; H93-F104 AromaticContact CE1-CZ 3.6Å; H93-F104 AromaticContact ND1-CE1 3.89Å; H93-F104 AromaticContact ND1-CZ 3.63Å; K102-F104 HydrophobicContact CB-CD2 4.38Å; K102-F104 HydrophobicContact CB-CE2 3.72Å; K102-F104 HydrophobicContact CB-CZ 4.28Å; F104-Q108 CarbonylContact C-O 3.42Å; F104-Q108 VanDerWaalsContact CA-O 3.28Å; F104-Q108 WeakPolarHBondContact CA-O 3.24Å; F104-P109 HydrophobicContact CD1-CB 4.12Å; F104-P109 HydrophobicContact CE1-CB 3.74Å; F104-P109 HydrophobicContact CE1-CG 4.43Å; F104-P109 HydrophobicContact CZ-CB 4.08Å
105	R	90.3	Very high	92.3	Very high	21 Å²	21	53.4 Å²	53.4	8%	0.079	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	116.3	172.7	169.5	173.7	-179.2	150	5.2	108.1	K41 F42 F103 E107 Q108 I110 K128 K130 S132 D173	K41-R105 WeakPolarHBondContact O-CA 3.35Å; F42-R105 HydrophobicContact CD1-CB 4.2Å; F42-R105 HydrophobicContact CD1-CG 4.05Å; F42-R105 HydrophobicContact CE1-CB 4.39Å; F42-R105 HydrophobicContact CE1-CG 3.76Å; F103-R105 HydrophobicContact CD1-CB 4.37Å; F103-R105 HydrophobicContact CE1-CB 3.99Å; R105-E107 PolarHBondContact O-N 3.39Å; R105-Q108 PolarHBondContact N-O 2.99Å; R105-Q108 WeakPolarHBondContact O-CB 3.21Å; R105-Q108 PolarHBondContact O-N 3.11Å; R105-I110 HydrophobicContact CB-CD1 4.47Å; R105-K128 PolarHBondContact NH1-O 2.66Å; R105-K130 VanDerWaalsContact CZ-O 3.31Å; R105-K130 PolarHBondContact NH1-O 2.92Å; R105-K130 PolarHBondContact NH2-O 2.83Å; R105-K130 VanDerWaalsContact NH2-O 3.11Å; R105-S132 VanDerWaalsContact NH2-CA 3.31Å; R105-S132 PolarHBondContact NH2-OG 2.78Å; R105-D173 IonicContact CZ-OD1 2.67Å; R105-D173 IonicContact NE-OD1 2.7Å; R105-D173 PolarHBondContact NE-OD1 2.88Å; R105-D173 IonicContact NH2-OD1 3.01Å; R105-D173 PolarHBondContact NH2-OD1 3.32Å
106	N	88.3	Confident	92.3	Very high	57 Å²	57	57.3 Å²	57.3	31%	0.305	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	51.2	-175.3	-65.7	-36.2	0	0	0	111.4	K41 Q108 D173	K41-N106 WeakPolarHBondContact CG-OD1 3.44Å; K41-N106 PolarHBondContact O-N 3.31Å; N106-Q108 PolarHBondContact O-N 2.71Å; N106-D173 PolarHBondContact ND2-OD2 2.78Å
107	E	91	Very high	92.5	Very high	104 Å²	104	50.7 Å²	50.7	49%	0.486	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	-12.9	-176.4	-49.2	174.6	-107.9	0	0	116.1	I37 R105	I37-E107 HydrophobicContact CG2-CB 4.09Å; I37-E107 HydrophobicContact CG2-CG 4.16Å; R105-E107 PolarHBondContact O-N 3.39Å
108	Q	88.5	Confident	92.7	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.6	179.8	-60.5	-55.1	-42.8	0	0	112	F104 R105 N106 E174	F104-Q108 CarbonylContact C-O 3.42Å; F104-Q108 VanDerWaalsContact CA-O 3.28Å; F104-Q108 WeakPolarHBondContact CA-O 3.24Å; R105-Q108 PolarHBondContact N-O 2.99Å; R105-Q108 WeakPolarHBondContact O-CB 3.21Å; R105-Q108 PolarHBondContact O-N 3.11Å; N106-Q108 PolarHBondContact O-N 2.71Å; Q108-E174 HydrophobicContact CG-CG 4.12Å
109	P	91.9	Very high	92.7	Very high	65 Å²	65	50.2 Å²	50.2	42%	0.422	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	131.2	179	31.2	-32.7	0	0	0	112	F104	F104-P109 HydrophobicContact CD1-CB 4.12Å; F104-P109 HydrophobicContact CE1-CB 3.74Å; F104-P109 HydrophobicContact CE1-CG 4.43Å; F104-P109 HydrophobicContact CZ-CB 4.08Å
110	I	89.9	Confident	92.6	Very high	28 Å²	28	51.1 Å²	51.1	14%	0.144	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.5	171.5	-59.1	168.8	0	0	0	107.8	K102 F103 R105 F112 W124	K102-I110 WeakPolarHBondContact CA-O 3.46Å; F103-I110 HydrophobicContact CD1-CD1 4.4Å; F103-I110 PolarHBondContact N-O 3.37Å; F103-I110 PolarHBondContact O-N 3.22Å; R105-I110 HydrophobicContact CB-CD1 4.47Å; I110-F112 PolarHBondContact O-N 2.79Å; I110-W124 HydrophobicContact CG2-CH2 4.22Å
111	D	91.7	Very high	92.6	Very high	108 Å²	108	49.8 Å²	49.8	58%	0.578	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	130.8	176.5	-76	-29	0	0	0	110.7	K102 G113	K102-D111 IonicContact NZ-OD1 3Å; K102-D111 PolarHBondContact NZ-OD1 3.47Å; D111-G113 PolarHBondContact O-N 2.86Å
112	F	92.8	Very high	92.6	Very high	23 Å²	23	49.7 Å²	49.7	10%	0.101	27%	0.273	C	S	.	.			trans	-75.2	112.9	176.3	-179.3	-91.9	0	0	0	110.1	L44 L101 I110 G114 E115 R116 I121 W124	L44-F112 HydrophobicContact CD1-CB 4.26Å; L44-F112 HydrophobicContact CD1-CD2 3.87Å; L44-F112 HydrophobicContact CD1-CG 4.35Å; L44-F112 HydrophobicContact CD2-CD2 4.43Å; L101-F112 HydrophobicContact CB-CB 3.46Å; L101-F112 VanDerWaalsContact CB-CB 3.46Å; L101-F112 HydrophobicContact CB-CD1 4.08Å; L101-F112 HydrophobicContact CB-CG 3.9Å; L101-F112 HydrophobicContact CD2-CD1 3.94Å; L101-F112 HydrophobicContact CD2-CE1 4.24Å; L101-F112 HydrophobicContact CD2-CG 4.16Å; L101-F112 WeakPolarHBondContact O-CB 3.35Å; L101-F112 PolarHBondContact O-N 2.79Å; I110-F112 PolarHBondContact O-N 2.79Å; F112-G114 VanDerWaalsContact CE1-C 3.46Å; F112-G114 WeakPolarHBondContact CE1-O 3.21Å; F112-E115 WeakPolarHBondContact CZ-O 3.3Å; F112-R116 HydrophobicContact CE1-CG 4.37Å; F112-I121 HydrophobicContact CE1-CG1 4.49Å; F112-I121 HydrophobicContact CE2-CG1 4.36Å; F112-I121 HydrophobicContact CZ-CB 4.42Å; F112-I121 HydrophobicContact CZ-CG1 3.76Å; F112-W124 HydrophobicContact CB-CH2 4.4Å; F112-W124 AromaticContact CD2-CD2 3.61Å; F112-W124 HydrophobicContact CD2-CD2 3.61Å; F112-W124 AromaticContact CD2-CE3 3.38Å; F112-W124 HydrophobicContact CD2-CE3 3.38Å; F112-W124 HydrophobicContact CD2-CG 4.25Å; F112-W124 HydrophobicContact CD2-CH2 4.03Å; F112-W124 HydrophobicContact CD2-CZ2 4.23Å; F112-W124 AromaticContact CD2-CZ3 3.63Å; F112-W124 HydrophobicContact CD2-CZ3 3.63Å; F112-W124 HydrophobicContact CE2-CB 3.92Å; F112-W124 AromaticContact CE2-CD2 3.6Å; F112-W124 HydrophobicContact CE2-CD2 3.6Å; F112-W124 AromaticContact CE2-CE3 3.57Å; F112-W124 HydrophobicContact CE2-CE3 3.57Å; F112-W124 AromaticContact CE2-CG 3.76Å; F112-W124 HydrophobicContact CE2-CG 3.76Å; F112-W124 HydrophobicContact CE2-CZ3 4.28Å; F112-W124 HydrophobicContact CZ-CB 4.46Å; F112-W124 HydrophobicContact CZ-CG 4.44Å
113	G	85.6	Confident	92.4	Very high	71 Å²	71	52.9 Å²	52.9	73%	0.732	29%	0.291	S	S	*	.			trans	-106.6	15.2	177.3	0	0	0	0	0	114.6	D111	D111-G113 PolarHBondContact O-N 2.86Å
114	G	85.9	Confident	92.3	Very high	23 Å²	23	53.9 Å²	53.9	24%	0.237	30%	0.295	C	S	.	.	S	Bend	trans	-87.3	171.3	-179.5	0	0	0	0	0	113.9	F112	F112-G114 VanDerWaalsContact CE1-C 3.46Å; F112-G114 WeakPolarHBondContact CE1-O 3.21Å
115	E	90.1	Very high	92.2	Very high	143 Å²	143	53.7 Å²	53.7	67%	0.668	29%	0.294	S	S	*	.			trans	-67	155.1	165.8	-66	-63.2	153.9	0	0	110.9	F112 A120	F112-E115 WeakPolarHBondContact CZ-O 3.3Å; E115-A120 HydrophobicContact CB-CB 3.56Å; E115-A120 WeakPolarHBondContact O-CB 3.28Å
116	R	93.5	Very high	92.3	Very high	105 Å²	105	55.7 Å²	55.7	40%	0.396	31%	0.306	S	S	.	.	S	Bend	trans	-102.5	10.4	-166.4	-75.7	-177.6	-178	-177.8	-6.9	114.8	L58 P99 F112	L58-R116 HydrophobicContact CD1-CB 4.08Å; L58-R116 HydrophobicContact CD1-CG 4.48Å; L58-R116 WeakPolarHBondContact CD1-O 3.16Å; P99-R116 VanDerWaalsContact CG-NH1 3.3Å; P99-R116 PolarHBondContact O-NH2 2.71Å; F112-R116 HydrophobicContact CE1-CG 4.37Å
117	D	96.2	Very high	92.2	Very high	69 Å²	69	59.7 Å²	59.7	37%	0.369	32%	0.317	S	S	.	.	S	Bend	trans	-80.8	158.6	166.6	68.3	87.7	0	0	0	111.4	D119 A120 I121	D117-D119 VanDerWaalsContact C-N 3.34Å; D117-D119 PolarHBondContact O-N 2.79Å; D117-D119 PolarHBondContact OD1-N 2.8Å; D117-A120 PolarHBondContact O-N 2.9Å; D117-A120 PolarHBondContact OD1-N 3.22Å; D117-A120 WeakPolarHBondContact OD2-CB 3.38Å; D117-I121 WeakPolarHBondContact O-CG1 3.1Å; D117-I121 PolarHBondContact O-N 2.77Å
118	S	96.8	Very high	92.1	Very high	10 Å²	10	56.9 Å²	56.9	7%	0.07	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-40.2	-173.3	55.6	0	0	0	0	113.7	E61 K68 V122	E61-S118 VanDerWaalsContact O-CB 3.26Å; E61-S118 WeakPolarHBondContact O-CB 3.19Å; E61-S118 VanDerWaalsContact OE2-CB 3.27Å; E61-S118 WeakPolarHBondContact OE2-CB 3.25Å; E61-S118 PolarHBondContact OE2-N 2.81Å; E61-S118 PolarHBondContact OE2-OG 2.99Å; K68-S118 PolarHBondContact NZ-OG 2.93Å; S118-V122 WeakPolarHBondContact O-CB 3.37Å; S118-V122 WeakPolarHBondContact O-CG2 3.3Å; S118-V122 PolarHBondContact O-N 3.02Å; S118-V122 VanDerWaalsContact O-N 3.08Å
119	D	95	Very high	92.2	Very high	87 Å²	87	54 Å²	54	47%	0.465	29%	0.292	S	S	.	.	H	α-helix	trans	-72.4	-39.2	-179.4	-74.6	-33.9	0	0	0	111.7	K68 D117 V122 N123	K68-D119 VanDerWaalsContact NZ-CG 3.34Å; K68-D119 IonicContact NZ-OD1 3.65Å; K68-D119 PolarHBondContact NZ-OD1 3.47Å; K68-D119 IonicContact NZ-OD2 2.66Å; D117-D119 VanDerWaalsContact C-N 3.34Å; D117-D119 PolarHBondContact O-N 2.79Å; D117-D119 PolarHBondContact OD1-N 2.8Å; D119-V122 PolarHBondContact O-N 2.9Å; D119-N123 VanDerWaalsContact O-CB 3.31Å; D119-N123 WeakPolarHBondContact O-CB 3.25Å; D119-N123 PolarHBondContact O-N 3.25Å; D119-N123 PolarHBondContact O-ND2 3.35Å
120	A	93	Very high	91.8	Very high	23 Å²	23	56.8 Å²	56.8	19%	0.19	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-43.3	175	0	0	0	0	0	112.5	E115 D117 N123 W124	E115-A120 HydrophobicContact CB-CB 3.56Å; E115-A120 WeakPolarHBondContact O-CB 3.28Å; D117-A120 PolarHBondContact O-N 2.9Å; D117-A120 PolarHBondContact OD1-N 3.22Å; D117-A120 WeakPolarHBondContact OD2-CB 3.38Å; A120-N123 PolarHBondContact O-N 2.99Å; A120-W124 WeakPolarHBondContact O-CB 3.47Å; A120-W124 PolarHBondContact O-N 3.47Å
121	I	98	Very high	91.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-51.4	175.8	-68.2	163.7	0	0	0	110.2	L44 L58 Y62 A65 L78 F112 D117 N123 W124 C125	L44-I121 HydrophobicContact CD2-CG2 3.63Å; L58-I121 HydrophobicContact CD1-CD1 3.98Å; Y62-I121 HydrophobicContact CD2-CD1 4.13Å; A65-I121 HydrophobicContact CB-CB 4.02Å; A65-I121 HydrophobicContact CB-CG2 3.8Å; L78-I121 HydrophobicContact CD2-CG2 4.35Å; F112-I121 HydrophobicContact CE1-CG1 4.49Å; F112-I121 HydrophobicContact CE2-CG1 4.36Å; F112-I121 HydrophobicContact CZ-CB 4.42Å; F112-I121 HydrophobicContact CZ-CG1 3.76Å; D117-I121 WeakPolarHBondContact O-CG1 3.1Å; D117-I121 PolarHBondContact O-N 2.77Å; I121-N123 VanDerWaalsContact C-N 3.35Å; I121-N123 PolarHBondContact O-N 3.34Å; I121-W124 PolarHBondContact O-N 3.11Å; I121-C125 WeakPolarHBondContact O-CB 3.18Å; I121-C125 PolarHBondContact O-N 3.04Å; I121-C125 PolarHBondContact O-SG 3.33Å; I121-C125 VanDerWaalsContact O-SG 3.39Å
122	V	97.4	Very high	91.2	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.024	30%	0.301	C	S	.	.	H	α-helix	trans	-56.3	-50.1	178.9	170.7	0	0	0	0	110.6	A65 K68 L69 K72 S118 D119 W124 C125 L126	A65-V122 HydrophobicContact CB-CG2 3.94Å; K68-V122 HydrophobicContact CB-CG2 3.82Å; K68-V122 HydrophobicContact CD-CG2 4.11Å; L69-V122 HydrophobicContact CD2-CG1 4.1Å; L69-V122 HydrophobicContact CG-CG1 4.49Å; L69-V122 HydrophobicContact CG-CG2 4.16Å; K72-V122 HydrophobicContact CD-CG1 4.35Å; S118-V122 WeakPolarHBondContact O-CB 3.37Å; S118-V122 WeakPolarHBondContact O-CG2 3.3Å; S118-V122 PolarHBondContact O-N 3.02Å; S118-V122 VanDerWaalsContact O-N 3.08Å; D119-V122 PolarHBondContact O-N 2.9Å; V122-W124 PolarHBondContact O-N 3.27Å; V122-C125 PolarHBondContact O-N 2.9Å; V122-L126 HydrophobicContact CG1-CD1 3.73Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CB 3.24Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 2.88Å
123	N	92.5	Very high	91.1	Very high	86 Å²	86	55.2 Å²	55.2	46%	0.46	30%	0.298	S	S	.	.	H	α-helix	trans	-64.5	-40.2	-178.8	-73.8	-40.5	0	0	0	112	D119 A120 I121 R127	D119-N123 VanDerWaalsContact O-CB 3.31Å; D119-N123 WeakPolarHBondContact O-CB 3.25Å; D119-N123 PolarHBondContact O-N 3.25Å; D119-N123 PolarHBondContact O-ND2 3.35Å; A120-N123 PolarHBondContact O-N 2.99Å; I121-N123 VanDerWaalsContact C-N 3.35Å; I121-N123 PolarHBondContact O-N 3.34Å; N123-R127 VanDerWaalsContact O-CG 3.3Å; N123-R127 WeakPolarHBondContact O-CG 3.35Å; N123-R127 PolarHBondContact O-N 2.8Å; N123-R127 PolarHBondContact O-NH1 2.79Å
124	W	93.8	Very high	91.5	Very high	21 Å²	21	56.8 Å²	56.8	8%	0.08	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-47.5	177.8	-170.4	104.5	0	0	0	111.3	F103 I110 F112 A120 I121 V122 L126 R127 K128	F103-W124 HydrophobicContact CB-CH2 3.77Å; F103-W124 HydrophobicContact CB-CZ3 3.51Å; F103-W124 HydrophobicContact CD1-CZ3 4.17Å; F103-W124 HydrophobicContact CD2-CZ3 4.23Å; F103-W124 HydrophobicContact CG-CH2 4.29Å; F103-W124 AromaticContact CG-CZ3 3.72Å; F103-W124 HydrophobicContact CG-CZ3 3.72Å; I110-W124 HydrophobicContact CG2-CH2 4.22Å; F112-W124 HydrophobicContact CB-CH2 4.4Å; F112-W124 AromaticContact CD2-CD2 3.61Å; F112-W124 HydrophobicContact CD2-CD2 3.61Å; F112-W124 AromaticContact CD2-CE3 3.38Å; F112-W124 HydrophobicContact CD2-CE3 3.38Å; F112-W124 HydrophobicContact CD2-CG 4.25Å; F112-W124 HydrophobicContact CD2-CH2 4.03Å; F112-W124 HydrophobicContact CD2-CZ2 4.23Å; F112-W124 AromaticContact CD2-CZ3 3.63Å; F112-W124 HydrophobicContact CD2-CZ3 3.63Å; F112-W124 HydrophobicContact CE2-CB 3.92Å; F112-W124 AromaticContact CE2-CD2 3.6Å; F112-W124 HydrophobicContact CE2-CD2 3.6Å; F112-W124 AromaticContact CE2-CE3 3.57Å; F112-W124 HydrophobicContact CE2-CE3 3.57Å; F112-W124 AromaticContact CE2-CG 3.76Å; F112-W124 HydrophobicContact CE2-CG 3.76Å; F112-W124 HydrophobicContact CE2-CZ3 4.28Å; F112-W124 HydrophobicContact CZ-CB 4.46Å; F112-W124 HydrophobicContact CZ-CG 4.44Å; A120-W124 WeakPolarHBondContact O-CB 3.47Å; A120-W124 PolarHBondContact O-N 3.47Å; I121-W124 PolarHBondContact O-N 3.11Å; V122-W124 PolarHBondContact O-N 3.27Å; W124-L126 PolarHBondContact O-N 3.41Å; W124-R127 PolarHBondContact O-N 3.1Å; W124-K128 HydrophobicContact CD2-CG 4.01Å; W124-K128 HydrophobicContact CE3-CB 4.4Å; W124-K128 HydrophobicContact CE3-CG 3.8Å; W124-K128 HydrophobicContact CH2-CD 4.45Å; W124-K128 HydrophobicContact CH2-CG 3.64Å; W124-K128 HydrophobicContact CZ2-CD 4.39Å; W124-K128 HydrophobicContact CZ2-CG 3.85Å; W124-K128 HydrophobicContact CZ3-CB 4.14Å; W124-K128 HydrophobicContact CZ3-CG 3.6Å; W124-K128 PolarHBondContact O-N 3.24Å
125	C	95.2	Very high	91.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-41.8	178.6	-68.2	0	0	0	0	112.3	I76 F103 I121 V122 R127 K128 S129	I76-C125 HydrophobicContact CD1-CB 3.85Å; I76-C125 HydrophobicContact CG2-CB 4.13Å; F103-C125 HydrophobicContact CE2-CB 4.25Å; I121-C125 WeakPolarHBondContact O-CB 3.18Å; I121-C125 PolarHBondContact O-N 3.04Å; I121-C125 PolarHBondContact O-SG 3.33Å; I121-C125 VanDerWaalsContact O-SG 3.39Å; V122-C125 PolarHBondContact O-N 2.9Å; C125-R127 VanDerWaalsContact C-N 3.31Å; C125-R127 PolarHBondContact O-N 3.05Å; C125-K128 CarbonylContact O-C 3.56Å; C125-K128 PolarHBondContact O-N 2.61Å; C125-S129 VanDerWaalsContact O-CB 3.29Å; C125-S129 WeakPolarHBondContact O-CB 3.27Å; C125-S129 PolarHBondContact O-N 3.42Å; C125-S129 PolarHBondContact O-OG 2.74Å
126	L	91.7	Very high	92.2	Very high	62 Å²	62	56 Å²	56	33%	0.325	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-40	175.8	-73.1	171.9	0	0	0	111.7	L69 K72 I76 V122 W124 S129 K130	L69-L126 HydrophobicContact CD2-CD2 4.15Å; L69-L126 HydrophobicContact CD2-CG 4.15Å; K72-L126 HydrophobicContact CD-CD1 4.32Å; I76-L126 HydrophobicContact CD1-CD2 3.87Å; I76-L126 HydrophobicContact CD1-CG 4.29Å; V122-L126 HydrophobicContact CG1-CD1 3.73Å; V122-L126 HydrophobicContact CG1-CG 4.38Å; V122-L126 WeakPolarHBondContact O-CB 3.24Å; V122-L126 VanDerWaalsContact O-CG 3.24Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 2.88Å; W124-L126 PolarHBondContact O-N 3.41Å; L126-S129 PolarHBondContact O-N 2.61Å; L126-K130 PolarHBondContact O-N 2.84Å
127	R	86.8	Confident	92.2	Very high	142 Å²	142	57 Å²	57	54%	0.536	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-46.9	173.3	-74.4	-170	-50.4	-93.1	3.4	111.6	N123 W124 C125 S129 K130	N123-R127 VanDerWaalsContact O-CG 3.3Å; N123-R127 WeakPolarHBondContact O-CG 3.35Å; N123-R127 PolarHBondContact O-N 2.8Å; N123-R127 PolarHBondContact O-NH1 2.79Å; W124-R127 PolarHBondContact O-N 3.1Å; C125-R127 VanDerWaalsContact C-N 3.31Å; C125-R127 PolarHBondContact O-N 3.05Å; R127-S129 PolarHBondContact O-N 3.06Å; R127-K130 PolarHBondContact O-N 2.86Å
128	K	88.9	Confident	92.2	Very high	45 Å²	45	55.5 Å²	55.5	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-71.3	-14.8	179.4	-68.4	-56.6	-165.3	-176.4	0	114.6	F103 R105 W124 C125 D176	F103-K128 HydrophobicContact CD1-CB 3.86Å; F103-K128 HydrophobicContact CE1-CB 3.59Å; F103-K128 HydrophobicContact CZ-CB 4.21Å; R105-K128 PolarHBondContact NH1-O 2.66Å; W124-K128 HydrophobicContact CD2-CG 4.01Å; W124-K128 HydrophobicContact CE3-CB 4.4Å; W124-K128 HydrophobicContact CE3-CG 3.8Å; W124-K128 HydrophobicContact CH2-CD 4.45Å; W124-K128 HydrophobicContact CH2-CG 3.64Å; W124-K128 HydrophobicContact CZ2-CD 4.39Å; W124-K128 HydrophobicContact CZ2-CG 3.85Å; W124-K128 HydrophobicContact CZ3-CB 4.14Å; W124-K128 HydrophobicContact CZ3-CG 3.6Å; W124-K128 PolarHBondContact O-N 3.24Å; C125-K128 CarbonylContact O-C 3.56Å; C125-K128 PolarHBondContact O-N 2.61Å; K128-D176 IonicContact NZ-OD1 2.77Å; K128-D176 PolarHBondContact NZ-OD1 2.93Å; K128-D176 IonicContact NZ-OD2 3.19Å; K128-D176 PolarHBondContact NZ-OD2 2.83Å
129	S	89	Confident	92.3	Very high	20 Å²	20	56.9 Å²	56.9	14%	0.14	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-2.7	178.5	-55.4	0	0	0	0	114.1	F42 I76 F103 C125 L126 R127	F42-S129 WeakPolarHBondContact CZ-O 3.29Å; I76-S129 WeakPolarHBondContact CD1-OG 3.47Å; I76-S129 WeakPolarHBondContact CG1-OG 3.48Å; F103-S129 WeakPolarHBondContact CZ-OG 3.31Å; C125-S129 VanDerWaalsContact O-CB 3.29Å; C125-S129 WeakPolarHBondContact O-CB 3.27Å; C125-S129 PolarHBondContact O-N 3.42Å; C125-S129 PolarHBondContact O-OG 2.74Å; L126-S129 PolarHBondContact O-N 2.61Å; R127-S129 PolarHBondContact O-N 3.06Å
130	K	84.8	Confident	92.4	Very high	123 Å²	123	57.7 Å²	57.7	54%	0.535	29%	0.29	S	S	.	.	S	Bend	trans	-58.4	151.1	171.4	-71.3	-177	175.9	-173.3	0	110.3	R105 L126 R127 S132	R105-K130 VanDerWaalsContact CZ-O 3.31Å; R105-K130 PolarHBondContact NH1-O 2.92Å; R105-K130 PolarHBondContact NH2-O 2.83Å; R105-K130 VanDerWaalsContact NH2-O 3.11Å; L126-K130 PolarHBondContact O-N 2.84Å; R127-K130 PolarHBondContact O-N 2.86Å; K130-S132 PolarHBondContact O-N 3.39Å
131	P	82.3	Confident	92.6	Very high	99 Å²	99	59 Å²	59	64%	0.643	30%	0.298	S	S	*	.			trans	-47	137.5	170.6	-25.8	34.8	0	0	0	110.8
132	S	85.1	Confident	92.6	Very high	23 Å²	23	59 Å²	59	16%	0.161	30%	0.298	C	S	.	.	S	Bend	trans	-72.6	-27	179.6	37	0	0	0	0	110.3	R105 K130 A172 D173 F180	R105-S132 VanDerWaalsContact NH2-CA 3.31Å; R105-S132 PolarHBondContact NH2-OG 2.78Å; K130-S132 PolarHBondContact O-N 3.39Å; S132-A172 VanDerWaalsContact CB-C 3.49Å; S132-A172 WeakPolarHBondContact CB-O 3.48Å; S132-D173 VanDerWaalsContact CB-OD1 3.25Å; S132-D173 WeakPolarHBondContact CB-OD1 3.1Å; S132-D173 PolarHBondContact OG-OD1 3.25Å; S132-F180 WeakPolarHBondContact O-CB 3.24Å
133	V	92.2	Very high	92.6	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120	176.3	-176.7	0	0	0	0	109.4	F168 E169 A172 F180 I182	V133-F168 HydrophobicContact CG1-CD1 4.37Å; V133-F168 HydrophobicContact CG1-CE1 3.95Å; V133-F168 HydrophobicContact CG2-CD1 3.98Å; V133-F168 HydrophobicContact CG2-CE1 3.92Å; V133-E169 HydrophobicContact CB-CG 4.34Å; V133-E169 HydrophobicContact CG2-CB 4.34Å; V133-E169 HydrophobicContact CG2-CG 3.84Å; V133-A172 HydrophobicContact CG2-CB 3.5Å; V133-A172 VanDerWaalsContact CG2-CB 3.5Å; V133-F180 WeakPolarHBondContact CA-O 3.43Å; V133-F180 HydrophobicContact CG2-CB 4.03Å; V133-I182 HydrophobicContact CG1-CB 4.26Å; V133-I182 HydrophobicContact CG1-CD1 3.68Å; V133-I182 HydrophobicContact CG1-CG1 3.66Å
134	E	93.1	Very high	92.8	Very high	103 Å²	103	62.1 Å²	62.1	48%	0.481	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.6	168.8	-63.7	-166.6	-176.9	0	0	110.6	I136 F180 A181 I182	E134-I136 HydrophobicContact CB-CG1 4.39Å; E134-F180 PolarHBondContact N-O 2.76Å; E134-A181 HydrophobicContact CB-CB 4.15Å; E134-A181 CarbonylContact O-C 3.5Å; E134-A181 WeakPolarHBondContact O-CA 3.07Å; E134-A181 VanDerWaalsContact O-CB 3.24Å; E134-A181 WeakPolarHBondContact O-CB 3.49Å; E134-I182 PolarHBondContact O-N 3.02Å
135	Y	94.2	Very high	92.9	Very high	137 Å²	137	62 Å²	62	54%	0.537	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115	174	-73.1	-100.5	0	0	0	108.7	E169 I182	Y135-E169 PolarHBondContact OH-OE1 3.46Å; Y135-I182 HydrophobicContact CD1-CB 4.14Å; Y135-I182 HydrophobicContact CD1-CG2 4.25Å; Y135-I182 HydrophobicContact CE1-CB 4.24Å; Y135-I182 HydrophobicContact CE1-CD1 3.81Å; Y135-I182 HydrophobicContact CE1-CG2 4.32Å
136	I	96.3	Very high	93	Very high	12 Å²	12	63.2 Å²	63.2	6%	0.062	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	120.9	-172.2	-58.5	179.4	0	0	0	109.8	E134 C142 F145 A181 I182 A183 I188	E134-I136 HydrophobicContact CB-CG1 4.39Å; I136-C142 HydrophobicContact CG2-CB 3.81Å; I136-F145 HydrophobicContact CD1-CB 3.61Å; I136-F145 HydrophobicContact CD1-CD1 4.14Å; I136-F145 HydrophobicContact CD1-CD2 3.9Å; I136-F145 HydrophobicContact CD1-CG 3.62Å; I136-A181 HydrophobicContact CD1-CB 3.55Å; I136-A181 HydrophobicContact CG1-CB 4.03Å; I136-I182 PolarHBondContact N-O 3.11Å; I136-A183 HydrophobicContact CB-CB 4.21Å; I136-A183 WeakPolarHBondContact O-CA 3.47Å; I136-I188 HydrophobicContact CG2-CD1 4.19Å
137	D	93.8	Very high	93.1	Very high	126 Å²	126	66.8 Å²	66.8	67%	0.674	33%	0.334	S	S	*	.			trans	-105.8	-17.6	-176.2	61.4	0.5	0	0	0	114.2	S185	D137-S185 VanDerWaalsContact O-CB 3.31Å; D137-S185 WeakPolarHBondContact O-CB 3.42Å; D137-S185 PolarHBondContact O-OG 2.95Å; D137-S185 VanDerWaalsContact O-OG 3.05Å
138	S	96.9	Very high	93.4	Very high	39 Å²	39	67.6 Å²	67.6	27%	0.273	34%	0.342	S	S	.	.	S	Bend	trans	-117.2	143.9	-174.9	51.6	0	0	0	0	112.8	D140 S141 C142	S138-D140 VanDerWaalsContact C-N 3.32Å; S138-D140 PolarHBondContact O-N 2.96Å; S138-S141 PolarHBondContact O-N 3.21Å; S138-S141 WeakPolarHBondContact OG-CB 3.34Å; S138-S141 PolarHBondContact OG-OG 3.44Å; S138-C142 PolarHBondContact O-N 3.2Å; S138-C142 VanDerWaalsContact O-N 3.1Å
139	L	97.4	Very high	93.4	Very high	38 Å²	38	65.9 Å²	65.9	20%	0.199	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-40.1	-179.6	-179.2	59.6	0	0	0	112.9	C142 K143 I188 E191 Y192	L139-C142 WeakPolarHBondContact O-CB 3.27Å; L139-C142 PolarHBondContact O-N 2.86Å; L139-K143 HydrophobicContact CD1-CG 4.5Å; L139-K143 HydrophobicContact CG-CD 4.41Å; L139-K143 WeakPolarHBondContact O-CG 3.44Å; L139-K143 PolarHBondContact O-N 3.29Å; L139-I188 HydrophobicContact CB-CG1 4.44Å; L139-I188 HydrophobicContact CD1-CG1 4.34Å; L139-E191 HydrophobicContact CD1-CB 3.63Å; L139-E191 HydrophobicContact CD1-CG 3.74Å; L139-Y192 HydrophobicContact CD1-CE2 4.41Å
140	D	97.7	Very high	93.4	Very high	104 Å²	104	68.7 Å²	68.7	56%	0.556	35%	0.349	S	S	*	.	H	α-helix	trans	-63.6	-46.7	179.7	-172.6	65.4	0	0	0	111.8	S138 C142 K143 Q144	S138-D140 VanDerWaalsContact C-N 3.32Å; S138-D140 PolarHBondContact O-N 2.96Å; D140-C142 VanDerWaalsContact C-N 3.27Å; D140-C142 PolarHBondContact O-N 3.25Å; D140-K143 PolarHBondContact O-N 3.41Å; D140-Q144 WeakPolarHBondContact O-CG 3.49Å; D140-Q144 PolarHBondContact O-N 2.96Å; D140-Q144 PolarHBondContact OD2-NE2 2.99Å
141	S	97.4	Very high	93.8	Very high	51 Å²	51	63 Å²	63	36%	0.357	33%	0.325	S	S	.	.	H	α-helix	trans	-62.2	-36.6	176.4	-57.5	0	0	0	0	111.8	S138 Q144 F145	S138-S141 PolarHBondContact O-N 3.21Å; S138-S141 WeakPolarHBondContact OG-CB 3.34Å; S138-S141 PolarHBondContact OG-OG 3.44Å; S141-Q144 PolarHBondContact O-N 2.65Å; S141-F145 VanDerWaalsContact O-CB 3.32Å; S141-F145 WeakPolarHBondContact O-CB 3.44Å; S141-F145 PolarHBondContact O-N 2.92Å
142	C	97.8	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-44.2	176.4	-167.4	0	0	0	0	112.2	I136 S138 L139 D140 F145 I146 L154 I188	I136-C142 HydrophobicContact CG2-CB 3.81Å; S138-C142 PolarHBondContact O-N 3.2Å; S138-C142 VanDerWaalsContact O-N 3.1Å; L139-C142 WeakPolarHBondContact O-CB 3.27Å; L139-C142 PolarHBondContact O-N 2.86Å; D140-C142 VanDerWaalsContact C-N 3.27Å; D140-C142 PolarHBondContact O-N 3.25Å; C142-F145 WeakPolarHBondContact O-CB 3.47Å; C142-F145 PolarHBondContact O-N 3.11Å; C142-I146 WeakPolarHBondContact O-CG1 3.48Å; C142-I146 PolarHBondContact O-N 2.91Å; C142-I146 VanDerWaalsContact O-N 3.1Å; C142-L154 VanDerWaalsContact SG-CD1 3.55Å; C142-I188 HydrophobicContact CB-CD1 3.94Å; C142-I188 HydrophobicContact CB-CG1 4.15Å
143	K	97.6	Very high	95.1	Very high	74 Å²	74	57.3 Å²	57.3	32%	0.322	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-47.2	174.8	-71.9	178.7	177	-173.3	0	111.5	L139 D140 F145 I146 D147 E191	L139-K143 HydrophobicContact CD1-CG 4.5Å; L139-K143 HydrophobicContact CG-CD 4.41Å; L139-K143 WeakPolarHBondContact O-CG 3.44Å; L139-K143 PolarHBondContact O-N 3.29Å; D140-K143 PolarHBondContact O-N 3.41Å; K143-F145 VanDerWaalsContact C-N 3.27Å; K143-F145 PolarHBondContact O-N 2.99Å; K143-I146 PolarHBondContact O-N 3.11Å; K143-D147 WeakPolarHBondContact O-CB 2.85Å; K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 2.83Å; K143-E191 WeakPolarHBondContact CE-OE1 3.37Å; K143-E191 IonicContact NZ-OE1 2.65Å; K143-E191 PolarHBondContact NZ-OE1 3.3Å
144	Q	97	Very high	95.3	Very high	81 Å²	81	57.1 Å²	57.1	38%	0.379	29%	0.286	S	S	.	.	H	α-helix	trans	-60.8	-35.9	176.8	-70.6	-174.9	33.3	0	0	113.1	D140 S141 K148	D140-Q144 WeakPolarHBondContact O-CG 3.49Å; D140-Q144 PolarHBondContact O-N 2.96Å; D140-Q144 PolarHBondContact OD2-NE2 2.99Å; S141-Q144 PolarHBondContact O-N 2.65Å; Q144-K148 WeakPolarHBondContact O-CB 3.45Å; Q144-K148 WeakPolarHBondContact O-CD 3.42Å; Q144-K148 VanDerWaalsContact O-CG 3.22Å; Q144-K148 WeakPolarHBondContact O-CG 3.24Å; Q144-K148 PolarHBondContact O-N 2.66Å; Q144-K148 VanDerWaalsContact O-N 3.12Å
145	F	96.1	Very high	95.4	Very high	18 Å²	18	52.2 Å²	52.2	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-49.7	175.7	175.5	-92.9	0	0	0	110.9	I136 S141 C142 K143 D147 K148 A149 A152 L154 D179 A181	I136-F145 HydrophobicContact CD1-CB 3.61Å; I136-F145 HydrophobicContact CD1-CD1 4.14Å; I136-F145 HydrophobicContact CD1-CD2 3.9Å; I136-F145 HydrophobicContact CD1-CG 3.62Å; S141-F145 VanDerWaalsContact O-CB 3.32Å; S141-F145 WeakPolarHBondContact O-CB 3.44Å; S141-F145 PolarHBondContact O-N 2.92Å; C142-F145 WeakPolarHBondContact O-CB 3.47Å; C142-F145 PolarHBondContact O-N 3.11Å; K143-F145 VanDerWaalsContact C-N 3.27Å; K143-F145 PolarHBondContact O-N 2.99Å; F145-D147 PolarHBondContact O-N 3.38Å; F145-K148 PolarHBondContact O-N 2.86Å; F145-A149 WeakPolarHBondContact O-CB 3.42Å; F145-A149 PolarHBondContact O-N 3.19Å; F145-A152 HydrophobicContact CD1-CB 4.09Å; F145-A152 HydrophobicContact CE1-CB 3.7Å; F145-L154 HydrophobicContact CD1-CD2 3.7Å; F145-L154 HydrophobicContact CE1-CD2 3.57Å; F145-D179 HydrophobicContact CE1-CB 4.5Å; F145-D179 HydrophobicContact CE2-CB 3.79Å; F145-D179 HydrophobicContact CZ-CB 3.6Å; F145-D179 WeakPolarHBondContact CZ-O 3.32Å; F145-A181 HydrophobicContact CD1-CB 4.17Å; F145-A181 HydrophobicContact CD2-CB 4.27Å; F145-A181 HydrophobicContact CE1-CB 3.7Å; F145-A181 HydrophobicContact CE2-CB 3.82Å; F145-A181 HydrophobicContact CG-CB 4.43Å; F145-A181 HydrophobicContact CZ-CB 3.51Å
146	I	96.6	Very high	95.4	Very high	27 Å²	27	45.7 Å²	45.7	14%	0.138	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-43.1	177.7	-66.4	169.7	0	0	0	111.6	C142 K143 K148 A152 L154 Y192 F203	C142-I146 WeakPolarHBondContact O-CG1 3.48Å; C142-I146 PolarHBondContact O-N 2.91Å; C142-I146 VanDerWaalsContact O-N 3.1Å; K143-I146 PolarHBondContact O-N 3.11Å; I146-K148 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 3.3Å; I146-A152 HydrophobicContact CG1-CB 4.26Å; I146-L154 HydrophobicContact CD1-CD1 3.64Å; I146-L154 HydrophobicContact CD1-CG 4.49Å; I146-L154 HydrophobicContact CG1-CD1 4.13Å; I146-Y192 HydrophobicContact CD1-CE1 3.5Å; I146-Y192 HydrophobicContact CD1-CE2 4.32Å; I146-Y192 WeakPolarHBondContact CD1-OH 3.45Å; I146-F203 HydrophobicContact CD1-CD1 4.08Å; I146-F203 HydrophobicContact CD1-CD2 3.9Å; I146-F203 HydrophobicContact CD1-CE1 4.14Å; I146-F203 HydrophobicContact CD1-CE2 3.98Å; I146-F203 HydrophobicContact CD1-CG 3.95Å; I146-F203 HydrophobicContact CD1-CZ 4.09Å; I146-F203 HydrophobicContact CG1-CB 4.4Å; I146-F203 HydrophobicContact CG1-CD2 4.19Å; I146-F203 HydrophobicContact CG1-CG 4.18Å; I146-F203 HydrophobicContact CG2-CB 3.75Å; I146-F203 HydrophobicContact CG2-CD1 4.23Å; I146-F203 HydrophobicContact CG2-CG 4.05Å
147	D	94.7	Very high	95.2	Very high	136 Å²	136	45.5 Å²	45.5	73%	0.727	24%	0.237	S	C	*	.	H	α-helix	trans	-69.3	-29.9	-176.4	-70.9	-16.8	0	0	0	113.3	K143 F145	K143-D147 WeakPolarHBondContact O-CB 2.85Å; K143-D147 VanDerWaalsContact O-CG 3.25Å; K143-D147 PolarHBondContact O-N 2.83Å; F145-D147 PolarHBondContact O-N 3.38Å
148	K	92.1	Very high	94.9	Very high	160 Å²	160	43.7 Å²	43.7	70%	0.696	22%	0.222	S	C	*	.	H	α-helix	trans	-83.4	-30.4	179.4	-74.2	171.8	-171.9	161.5	0	112.8	Q144 F145 I146	Q144-K148 WeakPolarHBondContact O-CB 3.45Å; Q144-K148 WeakPolarHBondContact O-CD 3.42Å; Q144-K148 VanDerWaalsContact O-CG 3.22Å; Q144-K148 WeakPolarHBondContact O-CG 3.24Å; Q144-K148 PolarHBondContact O-N 2.66Å; Q144-K148 VanDerWaalsContact O-N 3.12Å; F145-K148 PolarHBondContact O-N 2.86Å; I146-K148 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 3.3Å
149	A	89.8	Confident	94.1	Very high	8 Å²	8	49.3 Å²	49.3	7%	0.066	25%	0.249	C	C	.	.			trans	-76.4	140.7	-176.7	0	0	0	0	0	111	F145 I151 A152 D179	F145-A149 WeakPolarHBondContact O-CB 3.42Å; F145-A149 PolarHBondContact O-N 3.19Å; A149-I151 VanDerWaalsContact C-N 3.31Å; A149-A152 HydrophobicContact CB-CB 3.64Å; A149-D179 HydrophobicContact CB-CB 4.11Å; A149-D179 VanDerWaalsContact CB-OD2 3.26Å; A149-D179 WeakPolarHBondContact CB-OD2 3.43Å
150	N	88.8	Confident	93.4	Very high	79 Å²	79	53.4 Å²	53.4	42%	0.422	28%	0.277	S	S	.	.	S	Bend	trans	-68.9	-39.6	165.1	-174.9	61.4	0	0	0	110.2	N205	N150-N205 PolarHBondContact OD1-ND2 3.23Å
151	I	93.5	Very high	92.6	Very high	5 Å²	5	50 Å²	50	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	118.9	176.9	-56.1	172.6	0	0	0	107	A149 I153 A178 D179 L202 F203 F206 S229	A149-I151 VanDerWaalsContact C-N 3.31Å; I151-I153 HydrophobicContact CG2-CD1 4.06Å; I151-A178 HydrophobicContact CB-CB 4.2Å; I151-A178 HydrophobicContact CG2-CB 3.97Å; I151-A178 WeakPolarHBondContact O-CA 3.39Å; I151-D179 PolarHBondContact O-N 2.95Å; I151-L202 HydrophobicContact CG2-CD1 4.09Å; I151-L202 HydrophobicContact CG2-CD2 4.31Å; I151-L202 HydrophobicContact CG2-CG 4Å; I151-F203 CarbonylContact C-O 3.55Å; I151-F203 WeakPolarHBondContact CA-O 3.43Å; I151-F206 HydrophobicContact CD1-CZ 4.44Å; I151-F206 HydrophobicContact CG1-CE1 4.39Å; I151-F206 HydrophobicContact CG1-CZ 4.43Å; I151-S229 WeakPolarHBondContact CD1-OG 3.32Å
152	A	97	Very high	91.5	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	125.5	-178.1	0	0	0	0	0	109.9	F145 I146 A149 D179 L202 F203	F145-A152 HydrophobicContact CD1-CB 4.09Å; F145-A152 HydrophobicContact CE1-CB 3.7Å; I146-A152 HydrophobicContact CG1-CB 4.26Å; A149-A152 HydrophobicContact CB-CB 3.64Å; A152-D179 CarbonylContact C-O 3.55Å; A152-D179 WeakPolarHBondContact CA-O 3.35Å; A152-L202 CarbonylContact O-C 3.58Å; A152-L202 WeakPolarHBondContact O-CA 3.33Å; A152-F203 HydrophobicContact CB-CB 4.17Å; A152-F203 PolarHBondContact N-O 3.07Å; A152-F203 PolarHBondContact O-N 3.45Å
153	I	96.6	Very high	90.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	110.3	177.6	-48.7	-58.2	0	0	0	108.9	I151 F168 A178 D179 F180 A181 I200 L202 I225	I151-I153 HydrophobicContact CG2-CD1 4.06Å; I153-F168 HydrophobicContact CG2-CE2 3.84Å; I153-F168 HydrophobicContact CG2-CZ 4.03Å; I153-A178 HydrophobicContact CG1-CB 4.02Å; I153-D179 PolarHBondContact N-O 2.91Å; I153-F180 HydrophobicContact CB-CD1 3.57Å; I153-F180 HydrophobicContact CB-CE1 3.81Å; I153-F180 HydrophobicContact CB-CG 4.03Å; I153-F180 HydrophobicContact CB-CZ 4.44Å; I153-F180 HydrophobicContact CG1-CD1 3.99Å; I153-F180 HydrophobicContact CG1-CE1 3.76Å; I153-F180 HydrophobicContact CG1-CE2 4.33Å; I153-F180 HydrophobicContact CG1-CG 4.37Å; I153-F180 HydrophobicContact CG1-CZ 3.93Å; I153-F180 HydrophobicContact CG2-CD1 3.74Å; I153-F180 HydrophobicContact CG2-CE1 3.83Å; I153-F180 WeakPolarHBondContact O-CA 3.38Å; I153-A181 PolarHBondContact O-N 2.81Å; I153-I200 HydrophobicContact CG2-CG2 3.71Å; I153-L202 HydrophobicContact CD1-CB 3.71Å; I153-L202 HydrophobicContact CD1-CD1 3.52Å; I153-L202 HydrophobicContact CD1-CG 3.47Å; I153-L202 VanDerWaalsContact CD1-CG 3.47Å; I153-I225 HydrophobicContact CD1-CD1 4.14Å; I153-I225 HydrophobicContact CD1-CG1 3.93Å; I153-I225 HydrophobicContact CD1-CG2 4.33Å; I153-I225 HydrophobicContact CG1-CD1 4.04Å; I153-I225 HydrophobicContact CG1-CG1 4.38Å; I153-I225 HydrophobicContact CG2-CD1 4.42Å
154	L	96.7	Very high	89.3	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.6	175.3	-64.6	-168.8	0	0	0	111.2	C142 F145 I146 F156 A181 I200 V201 F203	C142-L154 VanDerWaalsContact SG-CD1 3.55Å; F145-L154 HydrophobicContact CD1-CD2 3.7Å; F145-L154 HydrophobicContact CE1-CD2 3.57Å; I146-L154 HydrophobicContact CD1-CD1 3.64Å; I146-L154 HydrophobicContact CD1-CG 4.49Å; I146-L154 HydrophobicContact CG1-CD1 4.13Å; L154-F156 HydrophobicContact CB-CD2 4.37Å; L154-F156 HydrophobicContact CB-CE2 3.72Å; L154-F156 HydrophobicContact CB-CZ 3.93Å; L154-F156 HydrophobicContact CD1-CE1 4.45Å; L154-F156 HydrophobicContact CD1-CE2 4.45Å; L154-F156 HydrophobicContact CD1-CZ 3.85Å; L154-A181 WeakPolarHBondContact CA-O 3.4Å; L154-A181 HydrophobicContact CD2-CB 3.76Å; L154-I200 WeakPolarHBondContact O-CA 3.34Å; L154-V201 PolarHBondContact N-O 3.42Å; L154-V201 PolarHBondContact O-N 2.91Å; L154-F203 HydrophobicContact CB-CE2 4.11Å; L154-F203 HydrophobicContact CD1-CD2 4.19Å; L154-F203 HydrophobicContact CD1-CE2 3.66Å; L154-F203 HydrophobicContact CD1-CZ 4.41Å; L154-F203 HydrophobicContact CG-CD2 4.09Å; L154-F203 HydrophobicContact CG-CE2 3.89Å
155	G	95.2	Very high	88.7	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	105.2	163.7	0	0	0	0	0	110.7	I157 A181 I182 A183	G155-I157 PolarHBondContact O-N 2.89Å; G155-A181 PolarHBondContact N-O 3.05Å; G155-I182 VanDerWaalsContact O-CA 3.27Å; G155-I182 WeakPolarHBondContact O-CA 3.11Å; G155-A183 PolarHBondContact O-N 2.76Å
156	F	94.7	Very high	88.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	74.2	167.7	-55.6	-89.8	0	0	0	108.5	L154 A183 I188 L189 Y192 I194 T197 P198 K199 V201	L154-F156 HydrophobicContact CB-CD2 4.37Å; L154-F156 HydrophobicContact CB-CE2 3.72Å; L154-F156 HydrophobicContact CB-CZ 3.93Å; L154-F156 HydrophobicContact CD1-CE1 4.45Å; L154-F156 HydrophobicContact CD1-CE2 4.45Å; L154-F156 HydrophobicContact CD1-CZ 3.85Å; F156-A183 WeakPolarHBondContact CD1-O 3.41Å; F156-I188 HydrophobicContact CD1-CG2 4.27Å; F156-I188 HydrophobicContact CE1-CG2 3.72Å; F156-L189 HydrophobicContact CB-CD2 3.91Å; F156-L189 HydrophobicContact CD1-CD2 3.72Å; F156-L189 HydrophobicContact CG-CD2 4.2Å; F156-Y192 HydrophobicContact CE1-CD2 4.16Å; F156-Y192 HydrophobicContact CE1-CG 4.36Å; F156-Y192 HydrophobicContact CZ-CD2 4.19Å; F156-Y192 HydrophobicContact CZ-CG 4.04Å; F156-I194 HydrophobicContact CB-CG2 3.97Å; F156-I194 HydrophobicContact CD1-CB 4.42Å; F156-I194 HydrophobicContact CD1-CG1 3.77Å; F156-I194 HydrophobicContact CD2-CD1 3.99Å; F156-I194 HydrophobicContact CD2-CG1 3.88Å; F156-I194 HydrophobicContact CE1-CG1 3.81Å; F156-I194 HydrophobicContact CE2-CD1 3.98Å; F156-I194 HydrophobicContact CE2-CG1 3.96Å; F156-I194 HydrophobicContact CG-CB 4.44Å; F156-I194 HydrophobicContact CG-CD1 4.37Å; F156-I194 HydrophobicContact CG-CG1 3.79Å; F156-I194 HydrophobicContact CG-CG2 4.17Å; F156-I194 HydrophobicContact CZ-CD1 4.33Å; F156-I194 HydrophobicContact CZ-CG1 3.92Å; F156-T197 HydrophobicContact CB-CG2 4.46Å; F156-T197 WeakPolarHBondContact O-CB 3.39Å; F156-T197 WeakPolarHBondContact O-CG2 3.37Å; F156-P198 WeakPolarHBondContact O-CA 3.45Å; F156-K199 HydrophobicContact CB-CB 4.2Å; F156-K199 HydrophobicContact CD2-CB 4.32Å; F156-K199 PolarHBondContact N-O 3.01Å; F156-K199 PolarHBondContact O-N 3.2Å; F156-K199 VanDerWaalsContact O-N 3.11Å; F156-V201 HydrophobicContact CD2-CG2 3.99Å; F156-V201 HydrophobicContact CE2-CB 3.87Å; F156-V201 HydrophobicContact CE2-CG2 3.53Å
157	I	91.6	Very high	87.5	Confident	8 Å²	8	58 Å²	58	4%	0.041	32%	0.32	C	S	.	.			trans	-119.8	124	-171.3	-54.8	159.9	0	0	0	108.2	G155 D161 L163 F168 I182 N184 P198	G155-I157 PolarHBondContact O-N 2.89Å; I157-D161 WeakPolarHBondContact CA-OD2 3.45Å; I157-D161 HydrophobicContact CG2-CB 4.15Å; I157-L163 HydrophobicContact CD1-CD2 3.5Å; I157-L163 VanDerWaalsContact CD1-CD2 3.5Å; I157-L163 HydrophobicContact CG1-CD2 3.81Å; I157-F168 HydrophobicContact CD1-CB 4.31Å; I157-F168 HydrophobicContact CD1-CD1 4.31Å; I157-F168 HydrophobicContact CD1-CD2 4.4Å; I157-F168 HydrophobicContact CD1-CG 4.09Å; I157-I182 HydrophobicContact CD1-CG1 4.49Å; I157-N184 WeakPolarHBondContact O-CB 3.43Å; I157-N184 PolarHBondContact O-ND2 3.12Å; I157-P198 HydrophobicContact CG1-CB 4.2Å
158	K	87.3	Confident	87.3	Confident	87 Å²	87	51.5 Å²	51.5	38%	0.378	29%	0.286	S	S	.	.			trans	-92.2	154.8	170.9	-60.6	177.7	-174.9	169.6	0	109.6	T160 D161 N184 T197	K158-T160 PolarHBondContact O-N 3.16Å; K158-D161 PolarHBondContact N-OD2 3.32Å; K158-D161 VanDerWaalsContact O-CB 3.32Å; K158-D161 WeakPolarHBondContact O-CB 3.22Å; K158-D161 PolarHBondContact O-N 3.23Å; K158-N184 HydrophobicContact CG-CB 4.31Å; K158-T197 WeakPolarHBondContact CD-OG1 3.45Å; K158-T197 HydrophobicContact CG-CG2 4.44Å
159	D	81.3	Confident	87.1	Confident	157 Å²	157	46.8 Å²	46.8	84%	0.84	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.4	176.7	-57	-20.5	0	0	0	113.7
160	T	80.9	Confident	86.9	Confident	125 Å²	125	52 Å²	52	77%	0.767	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.5	178.9	56.8	0	0	0	0	114.4	K158	K158-T160 PolarHBondContact O-N 3.16Å
161	D	81.9	Confident	86.9	Confident	32 Å²	32	48.8 Å²	48.8	17%	0.171	27%	0.271	C	S	.	.			trans	-75.8	154.5	-173.4	-70.8	-17.4	0	0	0	112.1	I157 K158 L163 T197 P198	I157-D161 WeakPolarHBondContact CA-OD2 3.45Å; I157-D161 HydrophobicContact CG2-CB 4.15Å; K158-D161 PolarHBondContact N-OD2 3.32Å; K158-D161 VanDerWaalsContact O-CB 3.32Å; K158-D161 WeakPolarHBondContact O-CB 3.22Å; K158-D161 PolarHBondContact O-N 3.23Å; D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 2.9Å; D161-T197 PolarHBondContact OD1-OG1 2.76Å; D161-T197 WeakPolarHBondContact OD2-CB 3.1Å; D161-T197 PolarHBondContact OD2-OG1 2.86Å; D161-T197 VanDerWaalsContact OD2-OG1 3.12Å; D161-P198 HydrophobicContact CB-CB 3.96Å; D161-P198 HydrophobicContact CB-CG 4.06Å; D161-P198 WeakPolarHBondContact OD2-CA 3.32Å
162	S	74	Confident	86.8	Confident	121 Å²	121	48.9 Å²	48.9	85%	0.846	27%	0.272	S	S	*	.	S	Bend	trans	-80.3	-6.4	-178.7	62.8	0	0	0	0	114.6
163	L	72.8	Confident	86.2	Confident	32 Å²	32	50.1 Å²	50.1	17%	0.168	28%	0.279	C	S	.	.	S	Bend	trans	-77.7	131.8	176	-172.9	80.3	0	0	0	108.3	I157 D161 L165 P198 I200 L218	I157-L163 HydrophobicContact CD1-CD2 3.5Å; I157-L163 VanDerWaalsContact CD1-CD2 3.5Å; I157-L163 HydrophobicContact CG1-CD2 3.81Å; D161-L163 VanDerWaalsContact C-N 3.29Å; D161-L163 PolarHBondContact O-N 2.9Å; L163-L165 PolarHBondContact O-N 3.48Å; L163-P198 HydrophobicContact CB-CB 3.67Å; L163-P198 HydrophobicContact CB-CG 3.59Å; L163-P198 HydrophobicContact CD2-CB 4.13Å; L163-P198 HydrophobicContact CG-CB 4.49Å; L163-I200 HydrophobicContact CD2-CD1 3.98Å; L163-I200 HydrophobicContact CD2-CG1 4.34Å; L163-L218 HydrophobicContact CD1-CD1 3.66Å; L163-L218 HydrophobicContact CD1-CD2 4.24Å; L163-L218 HydrophobicContact CD1-CG 3.8Å; L163-L218 HydrophobicContact CD2-CD1 4.31Å; L163-L218 HydrophobicContact CG-CD1 3.83Å; L163-L218 HydrophobicContact CG-CG 4.45Å
164	D	77	Confident	85.5	Confident	85 Å²	85	52.9 Å²	52.9	46%	0.455	29%	0.292	S	S	.	.			trans	-70.7	108.1	177	-164.5	-23.1	0	0	0	109.7	A166 D167 F168 L218	D164-A166 PolarHBondContact O-N 2.95Å; D164-A166 WeakPolarHBondContact OD1-CA 3.38Å; D164-A166 WeakPolarHBondContact OD1-CB 3.32Å; D164-A166 PolarHBondContact OD1-N 3.38Å; D164-D167 HydrophobicContact CB-CB 4Å; D164-D167 PolarHBondContact O-N 3.25Å; D164-D167 VanDerWaalsContact O-N 3.11Å; D164-F168 PolarHBondContact O-N 3.35Å; D164-L218 WeakPolarHBondContact O-CD1 3.35Å
165	L	84.3	Confident	84.9	Confident	55 Å²	55	54 Å²	54	29%	0.288	30%	0.297	S	S	.	.	H	α-helix	trans	-52.8	-38.9	172.8	172.7	57.8	0	0	0	111.3	L163 D167 F168 E169 I182	L163-L165 PolarHBondContact O-N 3.48Å; L165-D167 VanDerWaalsContact C-N 3.32Å; L165-D167 PolarHBondContact O-N 2.84Å; L165-F168 PolarHBondContact O-N 3.47Å; L165-E169 HydrophobicContact CD1-CG 4.25Å; L165-E169 WeakPolarHBondContact O-CG 3.49Å; L165-E169 PolarHBondContact O-N 3.49Å; L165-I182 HydrophobicContact CD1-CD1 3.05Å; L165-I182 HydrophobicContact CD1-CG1 4.42Å; L165-I182 HydrophobicContact CG-CD1 4.48Å
166	A	83.1	Confident	84	Confident	53 Å²	53	58 Å²	58	44%	0.438	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-34.8	179.7	0	0	0	0	0	111.9	D164 K170	D164-A166 PolarHBondContact O-N 2.95Å; D164-A166 WeakPolarHBondContact OD1-CA 3.38Å; D164-A166 WeakPolarHBondContact OD1-CB 3.32Å; D164-A166 PolarHBondContact OD1-N 3.38Å; A166-K170 VanDerWaalsContact O-CB 3.24Å; A166-K170 WeakPolarHBondContact O-CB 3.43Å; A166-K170 PolarHBondContact O-N 3.48Å
167	D	84.9	Confident	83.3	Confident	72 Å²	72	64.6 Å²	64.6	39%	0.385	35%	0.354	S	S	.	.	H	α-helix	trans	-69.7	-35.9	174.9	-78.6	-20.4	0	0	0	111.5	D164 L165 K170 V171 L218	D164-D167 HydrophobicContact CB-CB 4Å; D164-D167 PolarHBondContact O-N 3.25Å; D164-D167 VanDerWaalsContact O-N 3.11Å; L165-D167 VanDerWaalsContact C-N 3.32Å; L165-D167 PolarHBondContact O-N 2.84Å; D167-K170 PolarHBondContact O-N 2.91Å; D167-V171 WeakPolarHBondContact O-CG2 3.47Å; D167-V171 PolarHBondContact O-N 3.32Å; D167-L218 HydrophobicContact CB-CB 3.98Å; D167-L218 HydrophobicContact CB-CD1 3.21Å; D167-L218 HydrophobicContact CB-CG 4.19Å
168	F	89.8	Confident	83.3	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-66.4	-45.8	175	-179.4	-100.1	0	0	0	110.8	V133 I153 I157 D164 L165 K170 V171 A172 F180 I182 I200 L218 L221	V133-F168 HydrophobicContact CG1-CD1 4.37Å; V133-F168 HydrophobicContact CG1-CE1 3.95Å; V133-F168 HydrophobicContact CG2-CD1 3.98Å; V133-F168 HydrophobicContact CG2-CE1 3.92Å; I153-F168 HydrophobicContact CG2-CE2 3.84Å; I153-F168 HydrophobicContact CG2-CZ 4.03Å; I157-F168 HydrophobicContact CD1-CB 4.31Å; I157-F168 HydrophobicContact CD1-CD1 4.31Å; I157-F168 HydrophobicContact CD1-CD2 4.4Å; I157-F168 HydrophobicContact CD1-CG 4.09Å; D164-F168 PolarHBondContact O-N 3.35Å; L165-F168 PolarHBondContact O-N 3.47Å; F168-K170 VanDerWaalsContact C-N 3.28Å; F168-K170 PolarHBondContact O-N 3.39Å; F168-V171 PolarHBondContact O-N 3Å; F168-A172 PolarHBondContact O-N 3.31Å; F168-F180 HydrophobicContact CE1-CB 4.28Å; F168-F180 HydrophobicContact CE1-CD1 4.23Å; F168-F180 AromaticContact CE2-CD1 3.99Å; F168-F180 HydrophobicContact CE2-CD1 3.99Å; F168-F180 HydrophobicContact CZ-CB 4.28Å; F168-F180 AromaticContact CZ-CD1 3.7Å; F168-F180 HydrophobicContact CZ-CD1 3.7Å; F168-F180 HydrophobicContact CZ-CG 4.49Å; F168-I182 HydrophobicContact CD1-CD1 4.31Å; F168-I182 HydrophobicContact CD1-CG1 4.25Å; F168-I182 HydrophobicContact CE1-CG1 4.03Å; F168-I200 HydrophobicContact CD2-CD1 3.83Å; F168-I200 HydrophobicContact CD2-CG1 4.41Å; F168-I200 HydrophobicContact CE2-CD1 4.07Å; F168-I200 HydrophobicContact CE2-CG1 4.29Å; F168-I200 HydrophobicContact CE2-CG2 4.2Å; F168-L218 HydrophobicContact CB-CD1 4.4Å; F168-L218 HydrophobicContact CD2-CD2 4.49Å; F168-L221 HydrophobicContact CD2-CD2 3.95Å; F168-L221 HydrophobicContact CE2-CD2 4.26Å
169	E	87.7	Confident	83.5	Confident	62 Å²	62	64.4 Å²	64.4	29%	0.29	36%	0.359	S	S	.	.	H	α-helix	trans	-60.4	-37.8	173.7	-71.5	-178.3	163.7	0	0	112	V133 Y135 L165 A172 D173	V133-E169 HydrophobicContact CB-CG 4.34Å; V133-E169 HydrophobicContact CG2-CB 4.34Å; V133-E169 HydrophobicContact CG2-CG 3.84Å; Y135-E169 PolarHBondContact OH-OE1 3.46Å; L165-E169 HydrophobicContact CD1-CG 4.25Å; L165-E169 WeakPolarHBondContact O-CG 3.49Å; L165-E169 PolarHBondContact O-N 3.49Å; E169-A172 CarbonylContact O-C 3.57Å; E169-A172 WeakPolarHBondContact O-CB 3.26Å; E169-A172 PolarHBondContact O-N 3.2Å; E169-D173 PolarHBondContact O-N 3.1Å
170	K	86.3	Confident	84.2	Confident	117 Å²	117	57.1 Å²	57.1	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-63.6	-45.2	174.9	-177.6	-176.7	175.5	-173	0	112.1	A166 D167 F168 A172 D173 E174	A166-K170 VanDerWaalsContact O-CB 3.24Å; A166-K170 WeakPolarHBondContact O-CB 3.43Å; A166-K170 PolarHBondContact O-N 3.48Å; D167-K170 PolarHBondContact O-N 2.91Å; F168-K170 VanDerWaalsContact C-N 3.28Å; F168-K170 PolarHBondContact O-N 3.39Å; K170-A172 VanDerWaalsContact C-N 3.27Å; K170-A172 PolarHBondContact O-N 3.12Å; K170-D173 PolarHBondContact O-N 3.13Å; K170-E174 WeakPolarHBondContact CE-OE1 3.32Å; K170-E174 WeakPolarHBondContact O-CG 3.38Å; K170-E174 PolarHBondContact O-N 3.05Å; K170-E174 VanDerWaalsContact O-N 3.11Å
171	V	89.4	Confident	84.9	Confident	12 Å²	12	51.2 Å²	51.2	7%	0.073	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-40.8	175	173.1	0	0	0	0	110.6	D167 F168 D173 E174 L175 F180 L221 I225	D167-V171 WeakPolarHBondContact O-CG2 3.47Å; D167-V171 PolarHBondContact O-N 3.32Å; F168-V171 PolarHBondContact O-N 3Å; V171-D173 VanDerWaalsContact C-N 3.32Å; V171-D173 PolarHBondContact O-N 2.96Å; V171-E174 PolarHBondContact O-N 3.33Å; V171-L175 HydrophobicContact CG1-CD1 3.85Å; V171-L175 PolarHBondContact O-N 2.94Å; V171-L175 VanDerWaalsContact O-N 3.16Å; V171-F180 HydrophobicContact CG1-CE1 4.09Å; V171-F180 HydrophobicContact CG1-CZ 4.23Å; V171-L221 HydrophobicContact CB-CD2 4.28Å; V171-L221 HydrophobicContact CG1-CD2 3.97Å; V171-L221 HydrophobicContact CG1-CG 4.23Å; V171-L221 HydrophobicContact CG2-CD2 4.36Å; V171-I225 HydrophobicContact CG1-CD1 4.06Å
172	A	90.6	Very high	85.6	Confident	7 Å²	7	50 Å²	50	6%	0.058	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-31.7	176.5	0	0	0	0	0	113.1	S132 V133 F168 E169 K170 F180	S132-A172 VanDerWaalsContact CB-C 3.49Å; S132-A172 WeakPolarHBondContact CB-O 3.48Å; V133-A172 HydrophobicContact CG2-CB 3.5Å; V133-A172 VanDerWaalsContact CG2-CB 3.5Å; F168-A172 PolarHBondContact O-N 3.31Å; E169-A172 CarbonylContact O-C 3.57Å; E169-A172 WeakPolarHBondContact O-CB 3.26Å; E169-A172 PolarHBondContact O-N 3.2Å; K170-A172 VanDerWaalsContact C-N 3.27Å; K170-A172 PolarHBondContact O-N 3.12Å; A172-F180 HydrophobicContact CB-CB 3.65Å; A172-F180 HydrophobicContact CB-CD1 3.62Å; A172-F180 HydrophobicContact CB-CD2 3.61Å; A172-F180 HydrophobicContact CB-CE1 4.13Å; A172-F180 HydrophobicContact CB-CE2 4.14Å; A172-F180 HydrophobicContact CB-CG 3.35Å; A172-F180 HydrophobicContact CB-CZ 4.37Å
173	D	84.2	Confident	86.6	Confident	27 Å²	27	44.2 Å²	44.2	14%	0.144	24%	0.236	C	C	.	.	H	α-helix	trans	-71.9	-28.6	173	-80.5	-31.2	0	0	0	113.1	R105 N106 S132 E169 K170 V171	R105-D173 IonicContact CZ-OD1 2.67Å; R105-D173 IonicContact NE-OD1 2.7Å; R105-D173 PolarHBondContact NE-OD1 2.88Å; R105-D173 IonicContact NH2-OD1 3.01Å; R105-D173 PolarHBondContact NH2-OD1 3.32Å; N106-D173 PolarHBondContact ND2-OD2 2.78Å; S132-D173 VanDerWaalsContact CB-OD1 3.25Å; S132-D173 WeakPolarHBondContact CB-OD1 3.1Å; S132-D173 PolarHBondContact OG-OD1 3.25Å; E169-D173 PolarHBondContact O-N 3.1Å; K170-D173 PolarHBondContact O-N 3.13Å; V171-D173 VanDerWaalsContact C-N 3.32Å; V171-D173 PolarHBondContact O-N 2.96Å
174	E	82.7	Confident	87.6	Confident	59 Å²	59	45.4 Å²	45.4	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-86.1	-17	-179	-72.4	-177.8	-161.9	0	0	114	Q108 K170 V171 K222	Q108-E174 HydrophobicContact CG-CG 4.12Å; K170-E174 WeakPolarHBondContact CE-OE1 3.32Å; K170-E174 WeakPolarHBondContact O-CG 3.38Å; K170-E174 PolarHBondContact O-N 3.05Å; K170-E174 VanDerWaalsContact O-N 3.11Å; V171-E174 PolarHBondContact O-N 3.33Å; E174-K222 IonicContact OE2-NZ 3.41Å; E174-K222 PolarHBondContact OE2-NZ 3.29Å
175	L	82.5	Confident	88.4	Confident	23 Å²	23	42.7 Å²	42.7	12%	0.12	23%	0.23	C	C	.	.			trans	-118.7	109.7	-174.5	-69	-179.8	0	0	0	111.4	V171 F180 K222 I225	V171-L175 HydrophobicContact CG1-CD1 3.85Å; V171-L175 PolarHBondContact O-N 2.94Å; V171-L175 VanDerWaalsContact O-N 3.16Å; L175-F180 HydrophobicContact CB-CE2 4Å; L175-F180 HydrophobicContact CB-CZ 4.01Å; L175-F180 HydrophobicContact CD1-CZ 4Å; L175-K222 HydrophobicContact CD1-CG 4.19Å; L175-K222 HydrophobicContact CD2-CG 4.16Å; L175-K222 HydrophobicContact CG-CG 4.38Å; L175-I225 HydrophobicContact CD1-CB 3.99Å; L175-I225 HydrophobicContact CD1-CD1 3.77Å; L175-I225 HydrophobicContact CD1-CG1 4.5Å; L175-I225 HydrophobicContact CD1-CG2 3.88Å
176	D	78.2	Confident	88.9	Confident	84 Å²	84	44.6 Å²	44.6	45%	0.449	25%	0.248	S	C	.	.	S	Bend	trans	-90.6	-14.7	-178.9	-167.2	59.7	0	0	0	113.7	K128 A178	K128-D176 IonicContact NZ-OD1 2.77Å; K128-D176 PolarHBondContact NZ-OD1 2.93Å; K128-D176 IonicContact NZ-OD2 3.19Å; K128-D176 PolarHBondContact NZ-OD2 2.83Å; D176-A178 VanDerWaalsContact C-N 3.32Å
177	D	79.3	Confident	89.6	Confident	139 Å²	139	48.5 Å²	48.5	74%	0.743	26%	0.257	S	S	*	.	S	Bend	trans	-85.9	-1.1	-176	-68.8	-44.6	0	0	0	114
178	A	90.3	Very high	90.2	Very high	9 Å²	9	45 Å²	45	7%	0.074	24%	0.239	C	C	.	.	S	Bend	trans	-135.6	142.5	-179.1	0	0	0	0	0	110.6	I151 I153 D176 F180 I225	I151-A178 HydrophobicContact CB-CB 4.2Å; I151-A178 HydrophobicContact CG2-CB 3.97Å; I151-A178 WeakPolarHBondContact O-CA 3.39Å; I153-A178 HydrophobicContact CG1-CB 4.02Å; D176-A178 VanDerWaalsContact C-N 3.32Å; A178-F180 HydrophobicContact CB-CD2 4.43Å; A178-F180 HydrophobicContact CB-CE2 3.75Å; A178-F180 HydrophobicContact CB-CZ 4.26Å; A178-F180 VanDerWaalsContact O-CD2 3.32Å; A178-F180 WeakPolarHBondContact O-CD2 3.4Å; A178-F180 WeakPolarHBondContact O-CE2 3.41Å; A178-I225 HydrophobicContact CB-CG2 4.36Å
179	D	93.2	Very high	90.5	Very high	82 Å²	82	45.9 Å²	45.9	44%	0.439	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.5	172.9	-64.1	-50.1	0	0	0	108.8	F145 A149 I151 A152 I153	F145-D179 HydrophobicContact CE1-CB 4.5Å; F145-D179 HydrophobicContact CE2-CB 3.79Å; F145-D179 HydrophobicContact CZ-CB 3.6Å; F145-D179 WeakPolarHBondContact CZ-O 3.32Å; A149-D179 HydrophobicContact CB-CB 4.11Å; A149-D179 VanDerWaalsContact CB-OD2 3.26Å; A149-D179 WeakPolarHBondContact CB-OD2 3.43Å; I151-D179 PolarHBondContact O-N 2.95Å; A152-D179 CarbonylContact C-O 3.55Å; A152-D179 WeakPolarHBondContact CA-O 3.35Å; I153-D179 PolarHBondContact N-O 2.91Å
180	F	95.4	Very high	91	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	141.4	179.7	-63.7	-112.7	0	0	0	111.2	S132 V133 E134 I153 F168 V171 A172 L175 A178 I225	S132-F180 WeakPolarHBondContact O-CB 3.24Å; V133-F180 WeakPolarHBondContact CA-O 3.43Å; V133-F180 HydrophobicContact CG2-CB 4.03Å; E134-F180 PolarHBondContact N-O 2.76Å; I153-F180 HydrophobicContact CB-CD1 3.57Å; I153-F180 HydrophobicContact CB-CE1 3.81Å; I153-F180 HydrophobicContact CB-CG 4.03Å; I153-F180 HydrophobicContact CB-CZ 4.44Å; I153-F180 HydrophobicContact CG1-CD1 3.99Å; I153-F180 HydrophobicContact CG1-CE1 3.76Å; I153-F180 HydrophobicContact CG1-CE2 4.33Å; I153-F180 HydrophobicContact CG1-CG 4.37Å; I153-F180 HydrophobicContact CG1-CZ 3.93Å; I153-F180 HydrophobicContact CG2-CD1 3.74Å; I153-F180 HydrophobicContact CG2-CE1 3.83Å; I153-F180 WeakPolarHBondContact O-CA 3.38Å; F168-F180 HydrophobicContact CE1-CB 4.28Å; F168-F180 HydrophobicContact CE1-CD1 4.23Å; F168-F180 AromaticContact CE2-CD1 3.99Å; F168-F180 HydrophobicContact CE2-CD1 3.99Å; F168-F180 HydrophobicContact CZ-CB 4.28Å; F168-F180 AromaticContact CZ-CD1 3.7Å; F168-F180 HydrophobicContact CZ-CD1 3.7Å; F168-F180 HydrophobicContact CZ-CG 4.49Å; V171-F180 HydrophobicContact CG1-CE1 4.09Å; V171-F180 HydrophobicContact CG1-CZ 4.23Å; A172-F180 HydrophobicContact CB-CB 3.65Å; A172-F180 HydrophobicContact CB-CD1 3.62Å; A172-F180 HydrophobicContact CB-CD2 3.61Å; A172-F180 HydrophobicContact CB-CE1 4.13Å; A172-F180 HydrophobicContact CB-CE2 4.14Å; A172-F180 HydrophobicContact CB-CG 3.35Å; A172-F180 HydrophobicContact CB-CZ 4.37Å; L175-F180 HydrophobicContact CB-CE2 4Å; L175-F180 HydrophobicContact CB-CZ 4.01Å; L175-F180 HydrophobicContact CD1-CZ 4Å; A178-F180 HydrophobicContact CB-CD2 4.43Å; A178-F180 HydrophobicContact CB-CE2 3.75Å; A178-F180 HydrophobicContact CB-CZ 4.26Å; A178-F180 VanDerWaalsContact O-CD2 3.32Å; A178-F180 WeakPolarHBondContact O-CD2 3.4Å; A178-F180 WeakPolarHBondContact O-CE2 3.41Å; F180-I225 HydrophobicContact CE1-CD1 3.59Å; F180-I225 HydrophobicContact CZ-CD1 3.62Å
181	A	96.5	Very high	91.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.4	172.1	0	0	0	0	0	112.3	E134 I136 F145 I153 L154 G155	E134-A181 HydrophobicContact CB-CB 4.15Å; E134-A181 CarbonylContact O-C 3.5Å; E134-A181 WeakPolarHBondContact O-CA 3.07Å; E134-A181 VanDerWaalsContact O-CB 3.24Å; E134-A181 WeakPolarHBondContact O-CB 3.49Å; I136-A181 HydrophobicContact CD1-CB 3.55Å; I136-A181 HydrophobicContact CG1-CB 4.03Å; F145-A181 HydrophobicContact CD1-CB 4.17Å; F145-A181 HydrophobicContact CD2-CB 4.27Å; F145-A181 HydrophobicContact CE1-CB 3.7Å; F145-A181 HydrophobicContact CE2-CB 3.82Å; F145-A181 HydrophobicContact CG-CB 4.43Å; F145-A181 HydrophobicContact CZ-CB 3.51Å; I153-A181 PolarHBondContact O-N 2.81Å; L154-A181 WeakPolarHBondContact CA-O 3.4Å; L154-A181 HydrophobicContact CD2-CB 3.76Å; G155-A181 PolarHBondContact N-O 3.05Å
182	I	95.7	Very high	91.8	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.6	167.9	-71.5	163.1	0	0	0	108.7	V133 E134 Y135 I136 G155 I157 L165 F168	V133-I182 HydrophobicContact CG1-CB 4.26Å; V133-I182 HydrophobicContact CG1-CD1 3.68Å; V133-I182 HydrophobicContact CG1-CG1 3.66Å; E134-I182 PolarHBondContact O-N 3.02Å; Y135-I182 HydrophobicContact CD1-CB 4.14Å; Y135-I182 HydrophobicContact CD1-CG2 4.25Å; Y135-I182 HydrophobicContact CE1-CB 4.24Å; Y135-I182 HydrophobicContact CE1-CD1 3.81Å; Y135-I182 HydrophobicContact CE1-CG2 4.32Å; I136-I182 PolarHBondContact N-O 3.11Å; G155-I182 VanDerWaalsContact O-CA 3.27Å; G155-I182 WeakPolarHBondContact O-CA 3.11Å; I157-I182 HydrophobicContact CD1-CG1 4.49Å; L165-I182 HydrophobicContact CD1-CD1 3.05Å; L165-I182 HydrophobicContact CD1-CG1 4.42Å; L165-I182 HydrophobicContact CG-CD1 4.48Å; F168-I182 HydrophobicContact CD1-CD1 4.31Å; F168-I182 HydrophobicContact CD1-CG1 4.25Å; F168-I182 HydrophobicContact CE1-CG1 4.03Å
183	A	95.9	Very high	92.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	107.8	-177.6	0	0	0	0	0	109.5	I136 G155 F156 I188	I136-A183 HydrophobicContact CB-CB 4.21Å; I136-A183 WeakPolarHBondContact O-CA 3.47Å; G155-A183 PolarHBondContact O-N 2.76Å; F156-A183 WeakPolarHBondContact CD1-O 3.41Å; A183-I188 HydrophobicContact CB-CD1 3.97Å; A183-I188 HydrophobicContact CB-CG2 3.85Å
184	N	92.4	Very high	92.6	Very high	57 Å²	57	50.3 Å²	50.3	31%	0.305	28%	0.284	S	S	.	.			trans	-130.6	9.7	-170.9	67.7	14.3	0	0	0	114.2	I157 K158 L189	I157-N184 WeakPolarHBondContact O-CB 3.43Å; I157-N184 PolarHBondContact O-ND2 3.12Å; K158-N184 HydrophobicContact CG-CB 4.31Å; N184-L189 WeakPolarHBondContact O-CD1 3.06Å
185	S	94.9	Very high	93.1	Very high	28 Å²	28	53.8 Å²	53.8	20%	0.196	31%	0.31	C	S	.	.			trans	-66.9	148.9	175.6	77.3	0	0	0	0	111	D137 E187 I188 L189	D137-S185 VanDerWaalsContact O-CB 3.31Å; D137-S185 WeakPolarHBondContact O-CB 3.42Å; D137-S185 PolarHBondContact O-OG 2.95Å; D137-S185 VanDerWaalsContact O-OG 3.05Å; S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 PolarHBondContact O-N 3.19Å; S185-I188 PolarHBondContact O-N 2.72Å; S185-I188 VanDerWaalsContact O-N 3.13Å; S185-I188 VanDerWaalsContact OG-CD1 3.27Å; S185-I188 WeakPolarHBondContact OG-CD1 3.33Å; S185-I188 VanDerWaalsContact OG-CG1 3.29Å; S185-I188 WeakPolarHBondContact OG-CG1 3.09Å; S185-L189 WeakPolarHBondContact O-CG 3.46Å; S185-L189 PolarHBondContact O-N 3.22Å
186	S	94.7	Very high	93.5	Very high	95 Å²	95	59.7 Å²	59.7	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-61	-33.6	-174.5	-54.7	0	0	0	0	113.5	T190	S186-T190 WeakPolarHBondContact O-CB 3.39Å; S186-T190 PolarHBondContact O-N 3.16Å; S186-T190 PolarHBondContact O-OG1 3.43Å
187	E	97	Very high	94.1	Very high	134 Å²	134	57.2 Å²	57.2	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-65.3	-44.8	175.7	-65.3	-178.2	177.8	0	0	111.4	S185 T190 E191	S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 PolarHBondContact O-N 3.19Å; E187-T190 PolarHBondContact O-N 2.74Å; E187-E191 PolarHBondContact O-N 3.36Å
188	I	97.7	Very high	94.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-46.5	177.9	-68	171.6	0	0	0	110.6	I136 L139 C142 F156 A183 S185 T190 E191 Y192	I136-I188 HydrophobicContact CG2-CD1 4.19Å; L139-I188 HydrophobicContact CB-CG1 4.44Å; L139-I188 HydrophobicContact CD1-CG1 4.34Å; C142-I188 HydrophobicContact CB-CD1 3.94Å; C142-I188 HydrophobicContact CB-CG1 4.15Å; F156-I188 HydrophobicContact CD1-CG2 4.27Å; F156-I188 HydrophobicContact CE1-CG2 3.72Å; A183-I188 HydrophobicContact CB-CD1 3.97Å; A183-I188 HydrophobicContact CB-CG2 3.85Å; S185-I188 PolarHBondContact O-N 2.72Å; S185-I188 VanDerWaalsContact O-N 3.13Å; S185-I188 VanDerWaalsContact OG-CD1 3.27Å; S185-I188 WeakPolarHBondContact OG-CD1 3.33Å; S185-I188 VanDerWaalsContact OG-CG1 3.29Å; S185-I188 WeakPolarHBondContact OG-CG1 3.09Å; I188-T190 PolarHBondContact O-N 3.45Å; I188-E191 PolarHBondContact O-N 2.89Å; I188-Y192 HydrophobicContact CG2-CD2 3.92Å; I188-Y192 HydrophobicContact CG2-CE2 4.24Å; I188-Y192 WeakPolarHBondContact O-CD2 3.47Å; I188-Y192 PolarHBondContact O-N 3.27Å; I188-Y192 VanDerWaalsContact O-N 3.09Å
189	L	96.7	Very high	94.9	Very high	18 Å²	18	55.3 Å²	55.3	9%	0.094	31%	0.312	C	S	.	.	H	α-helix	trans	-57.5	-40.3	176.9	-66.7	173.6	0	0	0	111.4	F156 N184 S185 G193 I194 T197	F156-L189 HydrophobicContact CB-CD2 3.91Å; F156-L189 HydrophobicContact CD1-CD2 3.72Å; F156-L189 HydrophobicContact CG-CD2 4.2Å; N184-L189 WeakPolarHBondContact O-CD1 3.06Å; S185-L189 WeakPolarHBondContact O-CG 3.46Å; S185-L189 PolarHBondContact O-N 3.22Å; L189-G193 PolarHBondContact O-N 3.09Å; L189-I194 HydrophobicContact CB-CB 4.36Å; L189-I194 HydrophobicContact CD2-CB 3.71Å; L189-I194 HydrophobicContact CD2-CG1 4.45Å; L189-I194 HydrophobicContact CD2-CG2 3.6Å; L189-I194 PolarHBondContact O-N 3.4Å; L189-T197 HydrophobicContact CD2-CG2 3.99Å
190	T	97.3	Very high	94.9	Very high	114 Å²	114	51.7 Å²	51.7	70%	0.699	29%	0.293	S	S	*	.	H	α-helix	trans	-68.2	-47.1	178.5	-56.5	0	0	0	0	111.7	S186 E187 I188 Y192 G193	S186-T190 WeakPolarHBondContact O-CB 3.39Å; S186-T190 PolarHBondContact O-N 3.16Å; S186-T190 PolarHBondContact O-OG1 3.43Å; E187-T190 PolarHBondContact O-N 2.74Å; I188-T190 PolarHBondContact O-N 3.45Å; T190-Y192 VanDerWaalsContact C-N 3.33Å; T190-Y192 PolarHBondContact O-N 2.84Å; T190-G193 PolarHBondContact O-N 3.39Å
191	E	97.4	Very high	95	Very high	100 Å²	100	51.5 Å²	51.5	47%	0.467	29%	0.292	S	S	.	.	H	α-helix	trans	-56.3	-46.8	178.8	-178.1	79.1	168.9	0	0	111.7	L139 K143 E187 I188 G193	L139-E191 HydrophobicContact CD1-CB 3.63Å; L139-E191 HydrophobicContact CD1-CG 3.74Å; K143-E191 WeakPolarHBondContact CE-OE1 3.37Å; K143-E191 IonicContact NZ-OE1 2.65Å; K143-E191 PolarHBondContact NZ-OE1 3.3Å; E187-E191 PolarHBondContact O-N 3.36Å; I188-E191 PolarHBondContact O-N 2.89Å; E191-G193 VanDerWaalsContact C-N 3.31Å; E191-G193 PolarHBondContact O-N 3.28Å
192	Y	96.1	Very high	95	Very high	35 Å²	35	51.5 Å²	51.5	14%	0.137	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	10.1	-174.8	-65.9	-76.6	0	0	0	114	L139 I146 F156 I188 T190 I194 F203 R210	L139-Y192 HydrophobicContact CD1-CE2 4.41Å; I146-Y192 HydrophobicContact CD1-CE1 3.5Å; I146-Y192 HydrophobicContact CD1-CE2 4.32Å; I146-Y192 WeakPolarHBondContact CD1-OH 3.45Å; F156-Y192 HydrophobicContact CE1-CD2 4.16Å; F156-Y192 HydrophobicContact CE1-CG 4.36Å; F156-Y192 HydrophobicContact CZ-CD2 4.19Å; F156-Y192 HydrophobicContact CZ-CG 4.04Å; I188-Y192 HydrophobicContact CG2-CD2 3.92Å; I188-Y192 HydrophobicContact CG2-CE2 4.24Å; I188-Y192 WeakPolarHBondContact O-CD2 3.47Å; I188-Y192 PolarHBondContact O-N 3.27Å; I188-Y192 VanDerWaalsContact O-N 3.09Å; T190-Y192 VanDerWaalsContact C-N 3.33Å; T190-Y192 PolarHBondContact O-N 2.84Å; Y192-I194 VanDerWaalsContact C-N 3.32Å; Y192-I194 PolarHBondContact O-N 3.2Å; Y192-F203 AromaticContact CD1-CE1 3.69Å; Y192-F203 HydrophobicContact CD1-CE1 3.69Å; Y192-F203 AromaticContact CD1-CZ 3.42Å; Y192-F203 HydrophobicContact CD1-CZ 3.42Å; Y192-F203 VanDerWaalsContact CD1-CZ 3.42Å; Y192-F203 AromaticContact CE1-CE1 3.73Å; Y192-F203 HydrophobicContact CE1-CE1 3.73Å; Y192-F203 AromaticContact CE1-CZ 3.72Å; Y192-F203 HydrophobicContact CE1-CZ 3.72Å; Y192-F203 HydrophobicContact CG-CZ 4.22Å; Y192-R210 PolarHBondContact O-NH2 3.41Å
193	G	96.3	Very high	95.1	Very high	53 Å²	53	52 Å²	52	55%	0.546	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	26.9	174.8	0	0	0	0	0	114.6	L189 T190 E191 T195	L189-G193 PolarHBondContact O-N 3.09Å; T190-G193 PolarHBondContact O-N 3.39Å; E191-G193 VanDerWaalsContact C-N 3.31Å; E191-G193 PolarHBondContact O-N 3.28Å; G193-T195 PolarHBondContact O-N 2.82Å
194	I	95.4	Very high	95.1	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.077	30%	0.297	C	S	.	.			trans	-87.2	101.8	-176.4	-52.2	-58.2	0	0	0	110	F156 L189 Y192 Q196 T197 K199 V201	F156-I194 HydrophobicContact CB-CG2 3.97Å; F156-I194 HydrophobicContact CD1-CB 4.42Å; F156-I194 HydrophobicContact CD1-CG1 3.77Å; F156-I194 HydrophobicContact CD2-CD1 3.99Å; F156-I194 HydrophobicContact CD2-CG1 3.88Å; F156-I194 HydrophobicContact CE1-CG1 3.81Å; F156-I194 HydrophobicContact CE2-CD1 3.98Å; F156-I194 HydrophobicContact CE2-CG1 3.96Å; F156-I194 HydrophobicContact CG-CB 4.44Å; F156-I194 HydrophobicContact CG-CD1 4.37Å; F156-I194 HydrophobicContact CG-CG1 3.79Å; F156-I194 HydrophobicContact CG-CG2 4.17Å; F156-I194 HydrophobicContact CZ-CD1 4.33Å; F156-I194 HydrophobicContact CZ-CG1 3.92Å; L189-I194 HydrophobicContact CB-CB 4.36Å; L189-I194 HydrophobicContact CD2-CB 3.71Å; L189-I194 HydrophobicContact CD2-CG1 4.45Å; L189-I194 HydrophobicContact CD2-CG2 3.6Å; L189-I194 PolarHBondContact O-N 3.4Å; Y192-I194 VanDerWaalsContact C-N 3.32Å; Y192-I194 PolarHBondContact O-N 3.2Å; I194-Q196 WeakPolarHBondContact CG2-O 3.33Å; I194-T197 HydrophobicContact CG2-CG2 4.25Å; I194-K199 HydrophobicContact CD1-CB 4.43Å; I194-K199 HydrophobicContact CG2-CB 4.07Å; I194-K199 HydrophobicContact CG2-CG 4.16Å; I194-V201 HydrophobicContact CD1-CG2 4.07Å
195	T	93.2	Very high	95	Very high	132 Å²	132	55 Å²	55	81%	0.81	31%	0.31	S	S	*	.			trans	-91.7	-18.6	-179.5	54.9	0	0	0	0	114	G193	G193-T195 PolarHBondContact O-N 2.82Å
196	Q	90.6	Very high	94.7	Very high	147 Å²	147	55.1 Å²	55.1	69%	0.687	31%	0.307	S	S	*	.	S	Bend	trans	-138.4	142.5	-179.6	-67.3	178.3	60.7	0	0	109.5	I194 K199	I194-Q196 WeakPolarHBondContact CG2-O 3.33Å; Q196-K199 WeakPolarHBondContact O-CG 3.33Å
197	T	91.2	Very high	94.5	Very high	32 Å²	32	52.5 Å²	52.5	20%	0.196	29%	0.285	C	S	.	.	S	Bend	trans	-120.4	151.2	174.8	63.1	0	0	0	0	108.7	F156 K158 D161 L189 I194	F156-T197 HydrophobicContact CB-CG2 4.46Å; F156-T197 WeakPolarHBondContact O-CB 3.39Å; F156-T197 WeakPolarHBondContact O-CG2 3.37Å; K158-T197 WeakPolarHBondContact CD-OG1 3.45Å; K158-T197 HydrophobicContact CG-CG2 4.44Å; D161-T197 PolarHBondContact OD1-OG1 2.76Å; D161-T197 WeakPolarHBondContact OD2-CB 3.1Å; D161-T197 PolarHBondContact OD2-OG1 2.86Å; D161-T197 VanDerWaalsContact OD2-OG1 3.12Å; L189-T197 HydrophobicContact CD2-CG2 3.99Å; I194-T197 HydrophobicContact CG2-CG2 4.25Å
198	P	91.3	Very high	94.2	Very high	43 Å²	43	49.8 Å²	49.8	28%	0.279	27%	0.272	S	S	.	.	S	Bend	cis	-76.6	145.5	1.2	30.2	-31.3	0	0	0	112.2	F156 I157 D161 L163	F156-P198 WeakPolarHBondContact O-CA 3.45Å; I157-P198 HydrophobicContact CG1-CB 4.2Å; D161-P198 HydrophobicContact CB-CB 3.96Å; D161-P198 HydrophobicContact CB-CG 4.06Å; D161-P198 WeakPolarHBondContact OD2-CA 3.32Å; L163-P198 HydrophobicContact CB-CB 3.67Å; L163-P198 HydrophobicContact CB-CG 3.59Å; L163-P198 HydrophobicContact CD2-CB 4.13Å; L163-P198 HydrophobicContact CG-CB 4.49Å
199	K	93.3	Very high	94	Very high	65 Å²	65	54.1 Å²	54.1	28%	0.283	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	142	172.5	-85	-73	-169.8	159.6	0	110	F156 I194 Q196 E212	F156-K199 HydrophobicContact CB-CB 4.2Å; F156-K199 HydrophobicContact CD2-CB 4.32Å; F156-K199 PolarHBondContact N-O 3.01Å; F156-K199 PolarHBondContact O-N 3.2Å; F156-K199 VanDerWaalsContact O-N 3.11Å; I194-K199 HydrophobicContact CD1-CB 4.43Å; I194-K199 HydrophobicContact CG2-CB 4.07Å; I194-K199 HydrophobicContact CG2-CG 4.16Å; Q196-K199 WeakPolarHBondContact O-CG 3.33Å; K199-E212 IonicContact NZ-OE2 3.04Å; K199-E212 PolarHBondContact NZ-OE2 2.77Å
200	I	94.9	Very high	94	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	171.9	-58.1	173.3	0	0	0	108	I153 L154 L163 F168 Y213 L218 L221	I153-I200 HydrophobicContact CG2-CG2 3.71Å; L154-I200 WeakPolarHBondContact O-CA 3.34Å; L163-I200 HydrophobicContact CD2-CD1 3.98Å; L163-I200 HydrophobicContact CD2-CG1 4.34Å; F168-I200 HydrophobicContact CD2-CD1 3.83Å; F168-I200 HydrophobicContact CD2-CG1 4.41Å; F168-I200 HydrophobicContact CE2-CD1 4.07Å; F168-I200 HydrophobicContact CE2-CG1 4.29Å; F168-I200 HydrophobicContact CE2-CG2 4.2Å; I200-Y213 HydrophobicContact CB-CD1 4.32Å; I200-Y213 HydrophobicContact CB-CG 4.43Å; I200-Y213 HydrophobicContact CD1-CD1 4.19Å; I200-Y213 WeakPolarHBondContact O-CB 3.38Å; I200-Y213 PolarHBondContact O-N 2.93Å; I200-L218 HydrophobicContact CD1-CD2 3.72Å; I200-L221 HydrophobicContact CD1-CD1 4.2Å; I200-L221 HydrophobicContact CD1-CD2 3.84Å; I200-L221 HydrophobicContact CG2-CD1 3.98Å
201	V	96.9	Very high	93.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.3	179.3	-172.3	0	0	0	0	108.8	L154 F156 I194 F203 R210 E212	L154-V201 PolarHBondContact N-O 3.42Å; L154-V201 PolarHBondContact O-N 2.91Å; F156-V201 HydrophobicContact CD2-CG2 3.99Å; F156-V201 HydrophobicContact CE2-CB 3.87Å; F156-V201 HydrophobicContact CE2-CG2 3.53Å; I194-V201 HydrophobicContact CD1-CG2 4.07Å; V201-F203 HydrophobicContact CB-CD2 4.48Å; V201-F203 HydrophobicContact CB-CE2 3.73Å; V201-F203 HydrophobicContact CB-CZ 4.16Å; V201-F203 HydrophobicContact CG1-CD2 4.14Å; V201-F203 HydrophobicContact CG1-CE1 4.26Å; V201-F203 HydrophobicContact CG1-CE2 3.51Å; V201-F203 HydrophobicContact CG1-CZ 3.6Å; V201-R210 HydrophobicContact CG1-CG 3.57Å; V201-E212 HydrophobicContact CG2-CG 4.2Å
202	L	97.2	Very high	93.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	128.1	171.9	-179.3	156.4	0	0	0	108.6	I151 A152 I153 K204 R210 V211 F224 I225 E228	I151-L202 HydrophobicContact CG2-CD1 4.09Å; I151-L202 HydrophobicContact CG2-CD2 4.31Å; I151-L202 HydrophobicContact CG2-CG 4Å; A152-L202 CarbonylContact O-C 3.58Å; A152-L202 WeakPolarHBondContact O-CA 3.33Å; I153-L202 HydrophobicContact CD1-CB 3.71Å; I153-L202 HydrophobicContact CD1-CD1 3.52Å; I153-L202 HydrophobicContact CD1-CG 3.47Å; I153-L202 VanDerWaalsContact CD1-CG 3.47Å; L202-K204 HydrophobicContact CD2-CB 4.03Å; L202-K204 HydrophobicContact CD2-CD 3.79Å; L202-K204 HydrophobicContact CD2-CG 3.79Å; L202-R210 CarbonylContact O-C 3.6Å; L202-R210 WeakPolarHBondContact O-CA 3.24Å; L202-V211 PolarHBondContact N-O 2.9Å; L202-V211 PolarHBondContact O-N 3.43Å; L202-F224 HydrophobicContact CB-CE1 4.01Å; L202-F224 HydrophobicContact CB-CZ 4.36Å; L202-F224 HydrophobicContact CD1-CE1 4.22Å; L202-I225 HydrophobicContact CD1-CG1 4.45Å; L202-I225 HydrophobicContact CD1-CG2 4.49Å; L202-E228 HydrophobicContact CD1-CB 3.58Å; L202-E228 HydrophobicContact CD2-CB 4.21Å
203	F	97.7	Very high	93.7	Very high	17 Å²	17	50.8 Å²	50.8	8%	0.075	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.1	170.9	-61.6	-93.4	0	0	0	109.5	I146 I151 A152 L154 Y192 V201 N209 R210	I146-F203 HydrophobicContact CD1-CD1 4.08Å; I146-F203 HydrophobicContact CD1-CD2 3.9Å; I146-F203 HydrophobicContact CD1-CE1 4.14Å; I146-F203 HydrophobicContact CD1-CE2 3.98Å; I146-F203 HydrophobicContact CD1-CG 3.95Å; I146-F203 HydrophobicContact CD1-CZ 4.09Å; I146-F203 HydrophobicContact CG1-CB 4.4Å; I146-F203 HydrophobicContact CG1-CD2 4.19Å; I146-F203 HydrophobicContact CG1-CG 4.18Å; I146-F203 HydrophobicContact CG2-CB 3.75Å; I146-F203 HydrophobicContact CG2-CD1 4.23Å; I146-F203 HydrophobicContact CG2-CG 4.05Å; I151-F203 CarbonylContact C-O 3.55Å; I151-F203 WeakPolarHBondContact CA-O 3.43Å; A152-F203 HydrophobicContact CB-CB 4.17Å; A152-F203 PolarHBondContact N-O 3.07Å; A152-F203 PolarHBondContact O-N 3.45Å; L154-F203 HydrophobicContact CB-CE2 4.11Å; L154-F203 HydrophobicContact CD1-CD2 4.19Å; L154-F203 HydrophobicContact CD1-CE2 3.66Å; L154-F203 HydrophobicContact CD1-CZ 4.41Å; L154-F203 HydrophobicContact CG-CD2 4.09Å; L154-F203 HydrophobicContact CG-CE2 3.89Å; Y192-F203 AromaticContact CD1-CE1 3.69Å; Y192-F203 HydrophobicContact CD1-CE1 3.69Å; Y192-F203 AromaticContact CD1-CZ 3.42Å; Y192-F203 HydrophobicContact CD1-CZ 3.42Å; Y192-F203 VanDerWaalsContact CD1-CZ 3.42Å; Y192-F203 AromaticContact CE1-CE1 3.73Å; Y192-F203 HydrophobicContact CE1-CE1 3.73Å; Y192-F203 AromaticContact CE1-CZ 3.72Å; Y192-F203 HydrophobicContact CE1-CZ 3.72Å; Y192-F203 HydrophobicContact CG-CZ 4.22Å; V201-F203 HydrophobicContact CB-CD2 4.48Å; V201-F203 HydrophobicContact CB-CE2 3.73Å; V201-F203 HydrophobicContact CB-CZ 4.16Å; V201-F203 HydrophobicContact CG1-CD2 4.14Å; V201-F203 HydrophobicContact CG1-CE1 4.26Å; V201-F203 HydrophobicContact CG1-CE2 3.51Å; V201-F203 HydrophobicContact CG1-CZ 3.6Å; F203-N209 CarbonylContact C-O 3.58Å; F203-N209 VanDerWaalsContact CA-O 3.24Å; F203-N209 WeakPolarHBondContact CA-O 3.18Å; F203-R210 HydrophobicContact CD1-CB 4.22Å; F203-R210 HydrophobicContact CD1-CG 4.21Å; F203-R210 HydrophobicContact CE1-CB 4.23Å; F203-R210 HydrophobicContact CE1-CG 3.81Å; F203-R210 HydrophobicContact CZ-CG 4.32Å
204	K	94.7	Very high	93.5	Very high	13 Å²	13	54.1 Å²	54.1	6%	0.057	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.2	-178.2	49	-179.4	-172.1	-178.2	0	109.1	L202 F206 D207 E208 N209 E228	L202-K204 HydrophobicContact CD2-CB 4.03Å; L202-K204 HydrophobicContact CD2-CD 3.79Å; L202-K204 HydrophobicContact CD2-CG 3.79Å; K204-F206 VanDerWaalsContact C-N 3.28Å; K204-F206 HydrophobicContact CB-CD1 4.31Å; K204-F206 HydrophobicContact CB-CE1 4.02Å; K204-F206 HydrophobicContact CB-CE2 4.3Å; K204-F206 HydrophobicContact CB-CZ 4.01Å; K204-F206 HydrophobicContact CD-CD2 3.77Å; K204-F206 HydrophobicContact CD-CE2 3.48Å; K204-F206 VanDerWaalsContact CD-CE2 3.48Å; K204-F206 HydrophobicContact CD-CZ 3.96Å; K204-F206 WeakPolarHBondContact CE-O 3.27Å; K204-F206 HydrophobicContact CG-CD2 4.45Å; K204-F206 HydrophobicContact CG-CE2 4.39Å; K204-F206 WeakPolarHBondContact CG-O 3.44Å; K204-D207 IonicContact NZ-OD2 3.99Å; K204-E208 IonicContact NZ-OE2 2.74Å; K204-N209 PolarHBondContact N-O 3.43Å; K204-N209 WeakPolarHBondContact O-CA 3.28Å; K204-E228 PolarHBondContact NZ-O 2.94Å; K204-E228 IonicContact NZ-OE2 2.72Å; K204-E228 PolarHBondContact NZ-OE2 3.5Å
205	N	90.2	Very high	92.9	Very high	109 Å²	109	54.8 Å²	54.8	58%	0.583	29%	0.291	S	S	*	.	S	Bend	trans	-92.1	13.9	178.7	62.8	14.4	0	0	0	113.2	N150	N150-N205 PolarHBondContact OD1-ND2 3.23Å
206	F	89.2	Confident	92.2	Very high	29 Å²	29	51.6 Å²	51.6	13%	0.127	28%	0.284	C	S	.	.	S	Bend	trans	-135.8	164.9	179	53.9	-96.2	0	0	0	111.5	I151 K204 E208 N209 S229 P231	I151-F206 HydrophobicContact CD1-CZ 4.44Å; I151-F206 HydrophobicContact CG1-CE1 4.39Å; I151-F206 HydrophobicContact CG1-CZ 4.43Å; K204-F206 VanDerWaalsContact C-N 3.28Å; K204-F206 HydrophobicContact CB-CD1 4.31Å; K204-F206 HydrophobicContact CB-CE1 4.02Å; K204-F206 HydrophobicContact CB-CE2 4.3Å; K204-F206 HydrophobicContact CB-CZ 4.01Å; K204-F206 HydrophobicContact CD-CD2 3.77Å; K204-F206 HydrophobicContact CD-CE2 3.48Å; K204-F206 VanDerWaalsContact CD-CE2 3.48Å; K204-F206 HydrophobicContact CD-CZ 3.96Å; K204-F206 WeakPolarHBondContact CE-O 3.27Å; K204-F206 HydrophobicContact CG-CD2 4.45Å; K204-F206 HydrophobicContact CG-CE2 4.39Å; K204-F206 WeakPolarHBondContact CG-O 3.44Å; F206-E208 PolarHBondContact O-N 2.99Å; F206-N209 PolarHBondContact O-N 3.32Å; F206-S229 WeakPolarHBondContact CZ-O 3.35Å; F206-P231 HydrophobicContact CD1-CG 3.99Å; F206-P231 HydrophobicContact CD2-CB 3.72Å; F206-P231 HydrophobicContact CD2-CG 3.76Å; F206-P231 HydrophobicContact CE1-CG 4.02Å; F206-P231 HydrophobicContact CE2-CB 4.01Å; F206-P231 HydrophobicContact CE2-CG 3.72Å; F206-P231 HydrophobicContact CG-CB 4.07Å; F206-P231 HydrophobicContact CG-CG 3.91Å; F206-P231 HydrophobicContact CZ-CG 3.89Å
207	D	90.2	Very high	91.7	Very high	40 Å²	40	48.1 Å²	48.1	21%	0.214	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-123.1	179.8	-52.2	-34.2	0	0	0	113.7	K204 N209 P231 L232	K204-D207 IonicContact NZ-OD2 3.99Å; D207-N209 PolarHBondContact O-N 2.5Å; D207-N209 PolarHBondContact O-OD1 3.44Å; D207-P231 WeakPolarHBondContact OD2-CA 3.46Å; D207-L232 HydrophobicContact CB-CD1 4.23Å; D207-L232 HydrophobicContact CB-CG 4.44Å; D207-L232 WeakPolarHBondContact OD1-CB 3.26Å; D207-L232 PolarHBondContact OD1-N 2.86Å; D207-L232 WeakPolarHBondContact OD2-CG 3.24Å; D207-L232 PolarHBondContact OD2-N 3.31Å
208	E	91	Very high	91.1	Very high	77 Å²	77	47.2 Å²	47.2	36%	0.36	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-4.3	-176.5	-66.4	73.5	-153	0	0	114.5	K204 F206 R210 V211 R275	K204-E208 IonicContact NZ-OE2 2.74Å; F206-E208 PolarHBondContact O-N 2.99Å; E208-R210 PolarHBondContact O-N 2.87Å; E208-V211 HydrophobicContact CB-CG2 4.43Å; E208-R275 IonicContact OE1-CZ 2.88Å; E208-R275 IonicContact OE1-NE 2.63Å; E208-R275 PolarHBondContact OE1-NE 3.37Å; E208-R275 IonicContact OE1-NH2 2.82Å; E208-R275 PolarHBondContact OE1-NH2 2.52Å
209	N	93.9	Very high	90.5	Very high	91 Å²	91	53.2 Å²	53.2	49%	0.487	29%	0.291	S	S	.	.	S	Bend	trans	58.5	-28	-174.1	-62.6	14.5	0	0	0	116.6	F203 K204 F206 D207	F203-N209 CarbonylContact C-O 3.58Å; F203-N209 VanDerWaalsContact CA-O 3.24Å; F203-N209 WeakPolarHBondContact CA-O 3.18Å; K204-N209 PolarHBondContact N-O 3.43Å; K204-N209 WeakPolarHBondContact O-CA 3.28Å; F206-N209 PolarHBondContact O-N 3.32Å; D207-N209 PolarHBondContact O-N 2.5Å; D207-N209 PolarHBondContact O-OD1 3.44Å
210	R	96.1	Very high	90.3	Very high	86 Å²	86	54 Å²	54	33%	0.325	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	124.4	-176.3	-179.5	-174.5	-179.5	-83.8	3.9	109.4	Y192 V201 L202 F203 E208 E212	Y192-R210 PolarHBondContact O-NH2 3.41Å; V201-R210 HydrophobicContact CG1-CG 3.57Å; L202-R210 CarbonylContact O-C 3.6Å; L202-R210 WeakPolarHBondContact O-CA 3.24Å; F203-R210 HydrophobicContact CD1-CB 4.22Å; F203-R210 HydrophobicContact CD1-CG 4.21Å; F203-R210 HydrophobicContact CE1-CB 4.23Å; F203-R210 HydrophobicContact CE1-CG 3.81Å; F203-R210 HydrophobicContact CZ-CG 4.32Å; E208-R210 PolarHBondContact O-N 2.87Å; R210-E212 IonicContact CZ-OE1 2.61Å; R210-E212 VanDerWaalsContact CZ-OE1 3.25Å; R210-E212 IonicContact NH1-OE1 2.55Å; R210-E212 PolarHBondContact NH1-OE1 3.29Å; R210-E212 IonicContact NH2-OE1 2.61Å; R210-E212 PolarHBondContact NH2-OE1 3.46Å
211	V	95.4	Very high	90.1	Very high	25 Å²	25	53.7 Å²	53.7	15%	0.152	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125.2	176.2	-169.7	0	0	0	0	109.4	L202 E208 F224 E228	L202-V211 PolarHBondContact N-O 2.9Å; L202-V211 PolarHBondContact O-N 3.43Å; E208-V211 HydrophobicContact CB-CG2 4.43Å; V211-F224 HydrophobicContact CB-CZ 4.18Å; V211-F224 HydrophobicContact CG1-CE2 3.79Å; V211-F224 HydrophobicContact CG1-CZ 3.76Å; V211-E228 HydrophobicContact CB-CG 4.5Å; V211-E228 HydrophobicContact CG1-CG 4.2Å
212	E	95.5	Very high	89.6	Confident	64 Å²	64	56.9 Å²	56.9	30%	0.299	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	135.1	175.1	-64.2	-167.8	-164.1	0	0	111	K199 V201 R210	K199-E212 IonicContact NZ-OE2 3.04Å; K199-E212 PolarHBondContact NZ-OE2 2.77Å; V201-E212 HydrophobicContact CG2-CG 4.2Å; R210-E212 IonicContact CZ-OE1 2.61Å; R210-E212 VanDerWaalsContact CZ-OE1 3.25Å; R210-E212 IonicContact NH1-OE1 2.55Å; R210-E212 PolarHBondContact NH1-OE1 3.29Å; R210-E212 IonicContact NH2-OE1 2.61Å; R210-E212 PolarHBondContact NH2-OE1 3.46Å
213	Y	94.1	Very high	89	Confident	22 Å²	22	62.6 Å²	62.6	9%	0.086	34%	0.337	C	S	.	.			trans	-73	129.1	171.6	-178.1	-118.6	0	0	0	111.1	I200 G215 T217 N220 L221 F224	I200-Y213 HydrophobicContact CB-CD1 4.32Å; I200-Y213 HydrophobicContact CB-CG 4.43Å; I200-Y213 HydrophobicContact CD1-CD1 4.19Å; I200-Y213 WeakPolarHBondContact O-CB 3.38Å; I200-Y213 PolarHBondContact O-N 2.93Å; Y213-G215 VanDerWaalsContact CZ-CA 3.42Å; Y213-G215 VanDerWaalsContact OH-CA 3.24Å; Y213-G215 WeakPolarHBondContact OH-CA 3.36Å; Y213-G215 PolarHBondContact OH-O 3.35Å; Y213-T217 PolarHBondContact OH-O 3.29Å; Y213-N220 WeakPolarHBondContact OH-CB 3.21Å; Y213-L221 HydrophobicContact CD1-CD1 4.11Å; Y213-L221 HydrophobicContact CD2-CD1 3.87Å; Y213-L221 HydrophobicContact CE1-CB 4.42Å; Y213-L221 HydrophobicContact CE1-CD1 4.36Å; Y213-L221 HydrophobicContact CE2-CB 4.38Å; Y213-L221 HydrophobicContact CE2-CD1 4.14Å; Y213-L221 HydrophobicContact CG-CD1 3.85Å; Y213-L221 PolarHBondContact OH-N 2.82Å; Y213-F224 HydrophobicContact CD2-CB 3.82Å; Y213-F224 AromaticContact CD2-CD1 3.53Å; Y213-F224 HydrophobicContact CD2-CD1 3.53Å; Y213-F224 AromaticContact CD2-CD2 3.91Å; Y213-F224 HydrophobicContact CD2-CD2 3.91Å; Y213-F224 AromaticContact CD2-CE1 4Å; Y213-F224 HydrophobicContact CD2-CE1 4Å; Y213-F224 HydrophobicContact CD2-CE2 4.34Å; Y213-F224 AromaticContact CD2-CG 3.47Å; Y213-F224 HydrophobicContact CD2-CG 3.47Å; Y213-F224 VanDerWaalsContact CD2-CG 3.47Å; Y213-F224 HydrophobicContact CD2-CZ 4.37Å; Y213-F224 HydrophobicContact CE2-CB 3.73Å; Y213-F224 HydrophobicContact CE2-CD1 4.27Å; Y213-F224 HydrophobicContact CE2-CD2 4.48Å; Y213-F224 AromaticContact CE2-CG 3.93Å; Y213-F224 HydrophobicContact CE2-CG 3.93Å; Y213-F224 HydrophobicContact CG-CD1 4.31Å; Y213-F224 HydrophobicContact CG-CE1 4.46Å
214	T	90.4	Very high	88.7	Confident	123 Å²	123	63.2 Å²	63.2	76%	0.755	34%	0.34	S	S	*	.			trans	-126.5	5.4	-179.8	58.3	0	0	0	0	113.6	G216	T214-G216 VanDerWaalsContact C-N 3.26Å; T214-G216 PolarHBondContact O-N 3.23Å
215	G	83.7	Confident	88.4	Confident	30 Å²	30	62.8 Å²	62.8	31%	0.309	34%	0.338	S	S	.	.			trans	-78	5.4	-170.8	0	0	0	0	0	116.5	Y213 T217 N220	Y213-G215 VanDerWaalsContact CZ-CA 3.42Å; Y213-G215 VanDerWaalsContact OH-CA 3.24Å; Y213-G215 WeakPolarHBondContact OH-CA 3.36Å; Y213-G215 PolarHBondContact OH-O 3.35Å; G215-T217 VanDerWaalsContact C-N 3.29Å; G215-T217 PolarHBondContact O-N 3.29Å; G215-N220 PolarHBondContact O-ND2 2.86Å
216	G	78.4	Confident	88.1	Confident	65 Å²	65	62.2 Å²	62.2	67%	0.67	33%	0.332	S	S	*	.	S	Bend	trans	74.8	-62.5	171.4	0	0	0	0	0	115.2	T214	T214-G216 VanDerWaalsContact C-N 3.26Å; T214-G216 PolarHBondContact O-N 3.23Å
217	T	79.9	Confident	87.8	Confident	73 Å²	73	63.8 Å²	63.8	45%	0.448	34%	0.344	S	S	.	.	S	Bend	trans	-99	155.8	-178.1	63.3	0	0	0	0	111.6	Y213 G215 E219 N220	Y213-T217 PolarHBondContact OH-O 3.29Å; G215-T217 VanDerWaalsContact C-N 3.29Å; G215-T217 PolarHBondContact O-N 3.29Å; T217-E219 VanDerWaalsContact C-N 3.28Å; T217-E219 PolarHBondContact O-N 3.44Å; T217-N220 PolarHBondContact O-N 2.83Å
218	L	78.7	Confident	87.8	Confident	14 Å²	14	62.7 Å²	62.7	7%	0.073	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-17	177	-74.7	164.6	0	0	0	113.6	L163 D164 D167 F168 I200 N220 L221	L163-L218 HydrophobicContact CD1-CD1 3.66Å; L163-L218 HydrophobicContact CD1-CD2 4.24Å; L163-L218 HydrophobicContact CD1-CG 3.8Å; L163-L218 HydrophobicContact CD2-CD1 4.31Å; L163-L218 HydrophobicContact CG-CD1 3.83Å; L163-L218 HydrophobicContact CG-CG 4.45Å; D164-L218 WeakPolarHBondContact O-CD1 3.35Å; D167-L218 HydrophobicContact CB-CB 3.98Å; D167-L218 HydrophobicContact CB-CD1 3.21Å; D167-L218 HydrophobicContact CB-CG 4.19Å; F168-L218 HydrophobicContact CB-CD1 4.4Å; F168-L218 HydrophobicContact CD2-CD2 4.49Å; I200-L218 HydrophobicContact CD1-CD2 3.72Å; L218-N220 PolarHBondContact O-N 3.24Å; L218-L221 HydrophobicContact CD2-CB 3.94Å; L218-L221 HydrophobicContact CD2-CD2 3.36Å; L218-L221 HydrophobicContact CD2-CG 4.22Å; L218-L221 VanDerWaalsContact O-CB 3.27Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 2.82Å
219	E	80.2	Confident	87.6	Confident	169 Å²	169	60.3 Å²	60.3	79%	0.79	33%	0.33	S	S	*	.	H	α-helix	trans	-55	-41.3	170	-172.3	-178.1	176.4	0	0	111.8	T217 L221	T217-E219 VanDerWaalsContact C-N 3.28Å; T217-E219 PolarHBondContact O-N 3.44Å; E219-L221 VanDerWaalsContact C-N 3.34Å
220	N	87.5	Confident	87	Confident	80 Å²	80	58.2 Å²	58.2	43%	0.428	32%	0.32	S	S	.	.	H	α-helix	trans	-79.7	-14.1	177.8	-71.3	-27.6	0	0	0	113.2	Y213 G215 T217 L218 K222 H223 F224	Y213-N220 WeakPolarHBondContact OH-CB 3.21Å; G215-N220 PolarHBondContact O-ND2 2.86Å; T217-N220 PolarHBondContact O-N 2.83Å; L218-N220 PolarHBondContact O-N 3.24Å; N220-K222 PolarHBondContact O-N 3.03Å; N220-H223 PolarHBondContact O-N 2.57Å; N220-F224 WeakPolarHBondContact O-CB 3.32Å; N220-F224 PolarHBondContact O-N 3.5Å
221	L	90.9	Very high	86.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-42.5	-177.4	179	66	0	0	0	111.1	F168 V171 I200 Y213 L218 E219 H223 F224 I225	F168-L221 HydrophobicContact CD2-CD2 3.95Å; F168-L221 HydrophobicContact CE2-CD2 4.26Å; V171-L221 HydrophobicContact CB-CD2 4.28Å; V171-L221 HydrophobicContact CG1-CD2 3.97Å; V171-L221 HydrophobicContact CG1-CG 4.23Å; V171-L221 HydrophobicContact CG2-CD2 4.36Å; I200-L221 HydrophobicContact CD1-CD1 4.2Å; I200-L221 HydrophobicContact CD1-CD2 3.84Å; I200-L221 HydrophobicContact CG2-CD1 3.98Å; Y213-L221 HydrophobicContact CD1-CD1 4.11Å; Y213-L221 HydrophobicContact CD2-CD1 3.87Å; Y213-L221 HydrophobicContact CE1-CB 4.42Å; Y213-L221 HydrophobicContact CE1-CD1 4.36Å; Y213-L221 HydrophobicContact CE2-CB 4.38Å; Y213-L221 HydrophobicContact CE2-CD1 4.14Å; Y213-L221 HydrophobicContact CG-CD1 3.85Å; Y213-L221 PolarHBondContact OH-N 2.82Å; L218-L221 HydrophobicContact CD2-CB 3.94Å; L218-L221 HydrophobicContact CD2-CD2 3.36Å; L218-L221 HydrophobicContact CD2-CG 4.22Å; L218-L221 VanDerWaalsContact O-CB 3.27Å; L218-L221 WeakPolarHBondContact O-CB 3.36Å; L218-L221 PolarHBondContact O-N 2.82Å; E219-L221 VanDerWaalsContact C-N 3.34Å; L221-H223 VanDerWaalsContact C-N 3.35Å; L221-H223 PolarHBondContact O-N 2.81Å; L221-F224 HydrophobicContact CD1-CD1 3.98Å; L221-F224 WeakPolarHBondContact O-CB 3.49Å; L221-F224 PolarHBondContact O-N 3.33Å; L221-I225 HydrophobicContact CD1-CD1 4.03Å; L221-I225 HydrophobicContact CD1-CG1 4.12Å; L221-I225 HydrophobicContact CD2-CD1 4.26Å; L221-I225 HydrophobicContact CG-CD1 3.78Å; L221-I225 HydrophobicContact CG-CG1 4.29Å; L221-I225 WeakPolarHBondContact O-CG1 3.45Å; L221-I225 PolarHBondContact O-N 3.23Å
222	K	87.2	Confident	86.6	Confident	68 Å²	68	55.3 Å²	55.3	30%	0.296	31%	0.312	S	S	.	.	H	α-helix	trans	-58	-48.4	178.3	-175.1	175.7	-171	166.1	0	111.4	E174 L175 N220 I225 Q226	E174-K222 IonicContact OE2-NZ 3.41Å; E174-K222 PolarHBondContact OE2-NZ 3.29Å; L175-K222 HydrophobicContact CD1-CG 4.19Å; L175-K222 HydrophobicContact CD2-CG 4.16Å; L175-K222 HydrophobicContact CG-CG 4.38Å; N220-K222 PolarHBondContact O-N 3.03Å; K222-I225 PolarHBondContact O-N 2.93Å; K222-Q226 VanDerWaalsContact O-CG 3.28Å; K222-Q226 WeakPolarHBondContact O-CG 3.16Å; K222-Q226 PolarHBondContact O-N 2.93Å
223	H	84.8	Confident	86.6	Confident	119 Å²	119	53.2 Å²	53.2	55%	0.551	30%	0.303	S	S	*	.	H	α-helix	trans	-63.3	-43.2	177.3	-178.4	63.7	0	0	0	111.8	N220 L221 I225 Q226 V227	N220-H223 PolarHBondContact O-N 2.57Å; L221-H223 VanDerWaalsContact C-N 3.35Å; L221-H223 PolarHBondContact O-N 2.81Å; H223-I225 PolarHBondContact O-N 3.31Å; H223-Q226 PolarHBondContact O-N 3.3Å; H223-V227 WeakPolarHBondContact O-CG2 3.43Å; H223-V227 PolarHBondContact O-N 2.96Å
224	F	89.9	Confident	86.5	Confident	31 Å²	31	52.6 Å²	52.6	14%	0.136	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-48.9	174.9	166.6	-98	0	0	0	111.9	L202 V211 Y213 N220 L221 Q226 V227 E228	L202-F224 HydrophobicContact CB-CE1 4.01Å; L202-F224 HydrophobicContact CB-CZ 4.36Å; L202-F224 HydrophobicContact CD1-CE1 4.22Å; V211-F224 HydrophobicContact CB-CZ 4.18Å; V211-F224 HydrophobicContact CG1-CE2 3.79Å; V211-F224 HydrophobicContact CG1-CZ 3.76Å; Y213-F224 HydrophobicContact CD2-CB 3.82Å; Y213-F224 AromaticContact CD2-CD1 3.53Å; Y213-F224 HydrophobicContact CD2-CD1 3.53Å; Y213-F224 AromaticContact CD2-CD2 3.91Å; Y213-F224 HydrophobicContact CD2-CD2 3.91Å; Y213-F224 AromaticContact CD2-CE1 4Å; Y213-F224 HydrophobicContact CD2-CE1 4Å; Y213-F224 HydrophobicContact CD2-CE2 4.34Å; Y213-F224 AromaticContact CD2-CG 3.47Å; Y213-F224 HydrophobicContact CD2-CG 3.47Å; Y213-F224 VanDerWaalsContact CD2-CG 3.47Å; Y213-F224 HydrophobicContact CD2-CZ 4.37Å; Y213-F224 HydrophobicContact CE2-CB 3.73Å; Y213-F224 HydrophobicContact CE2-CD1 4.27Å; Y213-F224 HydrophobicContact CE2-CD2 4.48Å; Y213-F224 AromaticContact CE2-CG 3.93Å; Y213-F224 HydrophobicContact CE2-CG 3.93Å; Y213-F224 HydrophobicContact CG-CD1 4.31Å; Y213-F224 HydrophobicContact CG-CE1 4.46Å; N220-F224 WeakPolarHBondContact O-CB 3.32Å; N220-F224 PolarHBondContact O-N 3.5Å; L221-F224 HydrophobicContact CD1-CD1 3.98Å; L221-F224 WeakPolarHBondContact O-CB 3.49Å; L221-F224 PolarHBondContact O-N 3.33Å; F224-Q226 PolarHBondContact O-N 3.28Å; F224-V227 PolarHBondContact O-N 3.49Å; F224-E228 HydrophobicContact CD2-CG 3.99Å; F224-E228 HydrophobicContact CE1-CG 4.48Å; F224-E228 HydrophobicContact CE2-CG 3.65Å; F224-E228 HydrophobicContact CZ-CG 3.93Å; F224-E228 WeakPolarHBondContact O-CB 3.43Å; F224-E228 WeakPolarHBondContact O-CG 3.45Å; F224-E228 PolarHBondContact O-N 3.46Å
225	I	90	Very high	86.6	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-48.2	178	-65.5	167.5	0	0	0	109.6	I153 V171 L175 A178 F180 L202 L221 K222 H223 V227 E228 S229	I153-I225 HydrophobicContact CD1-CD1 4.14Å; I153-I225 HydrophobicContact CD1-CG1 3.93Å; I153-I225 HydrophobicContact CD1-CG2 4.33Å; I153-I225 HydrophobicContact CG1-CD1 4.04Å; I153-I225 HydrophobicContact CG1-CG1 4.38Å; I153-I225 HydrophobicContact CG2-CD1 4.42Å; V171-I225 HydrophobicContact CG1-CD1 4.06Å; L175-I225 HydrophobicContact CD1-CB 3.99Å; L175-I225 HydrophobicContact CD1-CD1 3.77Å; L175-I225 HydrophobicContact CD1-CG1 4.5Å; L175-I225 HydrophobicContact CD1-CG2 3.88Å; A178-I225 HydrophobicContact CB-CG2 4.36Å; F180-I225 HydrophobicContact CE1-CD1 3.59Å; F180-I225 HydrophobicContact CZ-CD1 3.62Å; L202-I225 HydrophobicContact CD1-CG1 4.45Å; L202-I225 HydrophobicContact CD1-CG2 4.49Å; L221-I225 HydrophobicContact CD1-CD1 4.03Å; L221-I225 HydrophobicContact CD1-CG1 4.12Å; L221-I225 HydrophobicContact CD2-CD1 4.26Å; L221-I225 HydrophobicContact CG-CD1 3.78Å; L221-I225 HydrophobicContact CG-CG1 4.29Å; L221-I225 WeakPolarHBondContact O-CG1 3.45Å; L221-I225 PolarHBondContact O-N 3.23Å; K222-I225 PolarHBondContact O-N 2.93Å; H223-I225 PolarHBondContact O-N 3.31Å; I225-V227 VanDerWaalsContact C-N 3.3Å; I225-V227 PolarHBondContact O-N 2.87Å; I225-E228 PolarHBondContact O-N 3.35Å; I225-S229 WeakPolarHBondContact O-CB 3.45Å; I225-S229 PolarHBondContact O-N 2.94Å; I225-S229 PolarHBondContact O-OG 3.2Å
226	Q	82.6	Confident	87	Confident	98 Å²	98	49.9 Å²	49.9	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-56.2	-42.7	178.5	-73.5	173	-30.4	0	0	112.7	K222 H223 F224	K222-Q226 VanDerWaalsContact O-CG 3.28Å; K222-Q226 WeakPolarHBondContact O-CG 3.16Å; K222-Q226 PolarHBondContact O-N 2.93Å; H223-Q226 PolarHBondContact O-N 3.3Å; F224-Q226 PolarHBondContact O-N 3.28Å
227	V	83.5	Confident	87.5	Confident	62 Å²	62	48.9 Å²	48.9	38%	0.376	26%	0.255	S	S	.	.	H	α-helix	trans	-68.1	-45	178.1	169.9	0	0	0	0	111.6	H223 F224 I225 S229	H223-V227 WeakPolarHBondContact O-CG2 3.43Å; H223-V227 PolarHBondContact O-N 2.96Å; F224-V227 PolarHBondContact O-N 3.49Å; I225-V227 VanDerWaalsContact C-N 3.3Å; I225-V227 PolarHBondContact O-N 2.87Å; V227-S229 VanDerWaalsContact C-N 3.31Å; V227-S229 PolarHBondContact O-N 3.18Å
228	E	89.8	Confident	87.4	Confident	17 Å²	17	53.8 Å²	53.8	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-78.9	-15	-177.2	-68	-54.7	149.7	0	0	113.9	L202 K204 V211 F224 I225 V230 K278	L202-E228 HydrophobicContact CD1-CB 3.58Å; L202-E228 HydrophobicContact CD2-CB 4.21Å; K204-E228 PolarHBondContact NZ-O 2.94Å; K204-E228 IonicContact NZ-OE2 2.72Å; K204-E228 PolarHBondContact NZ-OE2 3.5Å; V211-E228 HydrophobicContact CB-CG 4.5Å; V211-E228 HydrophobicContact CG1-CG 4.2Å; F224-E228 HydrophobicContact CD2-CG 3.99Å; F224-E228 HydrophobicContact CE1-CG 4.48Å; F224-E228 HydrophobicContact CE2-CG 3.65Å; F224-E228 HydrophobicContact CZ-CG 3.93Å; F224-E228 WeakPolarHBondContact O-CB 3.43Å; F224-E228 WeakPolarHBondContact O-CG 3.45Å; F224-E228 PolarHBondContact O-N 3.46Å; I225-E228 PolarHBondContact O-N 3.35Å; E228-V230 VanDerWaalsContact C-N 3.28Å; E228-K278 VanDerWaalsContact CD-NZ 3.29Å; E228-K278 IonicContact OE1-NZ 2.77Å; E228-K278 PolarHBondContact OE1-NZ 3.24Å; E228-K278 IonicContact OE2-NZ 3.25Å; E228-K278 PolarHBondContact OE2-NZ 2.9Å; E228-K278 VanDerWaalsContact OE2-NZ 3.16Å
229	S	86.5	Confident	87.3	Confident	27 Å²	27	61.5 Å²	61.5	19%	0.189	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-14	176.7	-63.8	0	0	0	0	113.7	I151 F206 I225 V227 P231	I151-S229 WeakPolarHBondContact CD1-OG 3.32Å; F206-S229 WeakPolarHBondContact CZ-O 3.35Å; I225-S229 WeakPolarHBondContact O-CB 3.45Å; I225-S229 PolarHBondContact O-N 2.94Å; I225-S229 PolarHBondContact O-OG 3.2Å; V227-S229 VanDerWaalsContact C-N 3.31Å; V227-S229 PolarHBondContact O-N 3.18Å; S229-P231 WeakPolarHBondContact O-CD 3.4Å
230	V	82.6	Confident	87.4	Confident	47 Å²	47	55 Å²	55	29%	0.285	28%	0.278	S	S	.	.	S	Bend	trans	-95.1	118.7	178.4	-177.7	0	0	0	0	108.9	E228 V243 H282	E228-V230 VanDerWaalsContact C-N 3.28Å; V230-V243 HydrophobicContact CG2-CG1 4.14Å; V230-H282 WeakPolarHBondContact CG1-NE2 3.46Å
231	P	90.3	Very high	87.3	Confident	36 Å²	36	52 Å²	52	23%	0.234	26%	0.264	C	S	.	.			trans	-58.9	140.6	172.8	-21.8	31.4	0	0	0	111.5	F206 D207 S229 V233 S234 H282	F206-P231 HydrophobicContact CD1-CG 3.99Å; F206-P231 HydrophobicContact CD2-CB 3.72Å; F206-P231 HydrophobicContact CD2-CG 3.76Å; F206-P231 HydrophobicContact CE1-CG 4.02Å; F206-P231 HydrophobicContact CE2-CB 4.01Å; F206-P231 HydrophobicContact CE2-CG 3.72Å; F206-P231 HydrophobicContact CG-CB 4.07Å; F206-P231 HydrophobicContact CG-CG 3.91Å; F206-P231 HydrophobicContact CZ-CG 3.89Å; D207-P231 WeakPolarHBondContact OD2-CA 3.46Å; S229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-V233 PolarHBondContact O-N 3.42Å; P231-S234 PolarHBondContact O-OG 3.08Å; P231-H282 PolarHBondContact O-NE2 2.8Å
232	L	92.6	Very high	86.8	Confident	14 Å²	14	54.6 Å²	54.6	7%	0.073	29%	0.291	C	S	.	.	S	Bend	trans	-54	-37.7	175.9	-73.9	175.9	0	0	0	112.2	D207 T271 A274 R275 K278	D207-L232 HydrophobicContact CB-CD1 4.23Å; D207-L232 HydrophobicContact CB-CG 4.44Å; D207-L232 WeakPolarHBondContact OD1-CB 3.26Å; D207-L232 PolarHBondContact OD1-N 2.86Å; D207-L232 WeakPolarHBondContact OD2-CG 3.24Å; D207-L232 PolarHBondContact OD2-N 3.31Å; L232-T271 HydrophobicContact CB-CG2 4.36Å; L232-T271 HydrophobicContact CD1-CG2 3.95Å; L232-A274 HydrophobicContact CB-CB 3.81Å; L232-A274 HydrophobicContact CD2-CB 4.34Å; L232-A274 WeakPolarHBondContact O-CB 3.35Å; L232-R275 HydrophobicContact CD1-CB 4.13Å; L232-K278 HydrophobicContact CD2-CB 4.43Å; L232-K278 HydrophobicContact CD2-CD 4.24Å; L232-K278 HydrophobicContact CD2-CG 4.31Å
233	V	94.5	Very high	86.4	Confident	19 Å²	19	55 Å²	55	12%	0.115	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.4	172.7	-177.8	0	0	0	0	108.8	P231 L270 T271 A274 V283 Y285	P231-V233 PolarHBondContact O-N 3.42Å; V233-L270 HydrophobicContact CG2-CB 4.02Å; V233-T271 WeakPolarHBondContact CG2-OG1 3.45Å; V233-A274 HydrophobicContact CG2-CB 4.35Å; V233-V283 WeakPolarHBondContact CA-O 3.47Å; V233-V283 HydrophobicContact CG1-CG1 4.22Å; V233-V283 HydrophobicContact CG2-CB 4.16Å; V233-V283 HydrophobicContact CG2-CG1 4.14Å; V233-Y285 HydrophobicContact CG1-CD1 4.04Å
234	S	92.3	Very high	86.4	Confident	10 Å²	10	49.6 Å²	49.6	7%	0.07	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.6	-177.3	-65.2	0	0	0	0	112.5	P231 H282 V283 I284 Y285	P231-S234 PolarHBondContact O-OG 3.08Å; S234-H282 PolarHBondContact OG-CE1 3.23Å; S234-H282 PolarHBondContact OG-NE2 3.38Å; S234-V283 PolarHBondContact N-O 2.73Å; S234-I284 CarbonylContact O-C 3.58Å; S234-I284 WeakPolarHBondContact O-CA 3.42Å; S234-Y285 PolarHBondContact O-N 3.48Å
235	E	93.2	Very high	86.2	Confident	62 Å²	62	54.6 Å²	54.6	29%	0.29	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.5	168.5	-172.6	166.1	-167.6	0	0	110	S237 T240 K259 Y285	E235-S237 PolarHBondContact O-N 3.22Å; E235-T240 WeakPolarHBondContact O-CB 3.46Å; E235-T240 WeakPolarHBondContact O-CG2 3.44Å; E235-T240 PolarHBondContact O-OG1 3.43Å; E235-K259 WeakPolarHBondContact OE1-CD 3.27Å; E235-K259 IonicContact OE1-NZ 2.66Å; E235-K259 PolarHBondContact OE1-NZ 3.21Å; E235-K259 IonicContact OE2-NZ 2.66Å; E235-K259 PolarHBondContact OE2-NZ 3.24Å; E235-Y285 CarbonylContact C-O 3.54Å; E235-Y285 VanDerWaalsContact CA-CE1 3.48Å; E235-Y285 HydrophobicContact CB-CD1 4.32Å; E235-Y285 HydrophobicContact CB-CE1 3.58Å; E235-Y285 HydrophobicContact CB-CE2 4.04Å; E235-Y285 VanDerWaalsContact CB-CZ 3.43Å; E235-Y285 WeakPolarHBondContact CB-OH 3.34Å; E235-Y285 VanDerWaalsContact CD-OH 3.26Å; E235-Y285 HydrophobicContact CG-CD2 4.41Å; E235-Y285 HydrophobicContact CG-CE1 4.18Å; E235-Y285 HydrophobicContact CG-CE2 3.67Å; E235-Y285 PolarHBondContact OE2-OH 2.72Å; E235-Y285 VanDerWaalsContact OE2-OH 3.08Å
236	F	92.8	Very high	85.7	Confident	33 Å²	33	57.4 Å²	57.4	15%	0.145	33%	0.326	C	S	.	.			trans	-74.9	119.9	170.5	-175.6	-99.8	0	0	0	109.9	A241 F245 I284 Y285 V286 V296	F236-A241 HydrophobicContact CE2-CB 3.87Å; F236-A241 HydrophobicContact CZ-CB 4.11Å; F236-F245 HydrophobicContact CE2-CE2 4.06Å; F236-F245 HydrophobicContact CE2-CZ 4.36Å; F236-F245 HydrophobicContact CZ-CE2 4.28Å; F236-I284 HydrophobicContact CB-CD1 4.47Å; F236-I284 HydrophobicContact CD2-CD1 4.07Å; F236-Y285 WeakPolarHBondContact CB-O 3.48Å; F236-Y285 PolarHBondContact N-O 3.19Å; F236-V286 HydrophobicContact CB-CG2 3.87Å; F236-V286 HydrophobicContact CD1-CG2 4.37Å; F236-V286 HydrophobicContact CG-CG2 4.28Å; F236-V296 HydrophobicContact CD1-CG2 4.38Å; F236-V296 HydrophobicContact CE1-CG2 3.84Å
237	S	87.6	Confident	85.6	Confident	44 Å²	44	54.4 Å²	54.4	31%	0.308	32%	0.316	S	S	.	.	S	Bend	trans	-151.4	174.4	-179.2	69.1	0	0	0	0	109.3	E235 K239 T240 A241	E235-S237 PolarHBondContact O-N 3.22Å; S237-K239 PolarHBondContact O-N 3.09Å; S237-K239 PolarHBondContact OG-N 3.35Å; S237-T240 PolarHBondContact N-OG1 3.15Å; S237-T240 PolarHBondContact O-N 2.88Å; S237-T240 PolarHBondContact O-OG1 3.3Å; S237-T240 PolarHBondContact OG-N 2.57Å; S237-T240 PolarHBondContact OG-OG1 3.44Å; S237-T240 VanDerWaalsContact OG-OG1 3.09Å; S237-A241 VanDerWaalsContact O-CB 3.26Å; S237-A241 WeakPolarHBondContact O-CB 3.05Å; S237-A241 PolarHBondContact O-N 3.27Å
238	Q	79.1	Confident	85.5	Confident	176 Å²	176	57.4 Å²	57.4	82%	0.822	34%	0.337	S	S	*	.	H	α-helix	trans	-58.5	-33	172.8	-65.5	-175.1	10.1	0	0	112.6
239	K	75	Confident	85.5	Confident	177 Å²	177	58.3 Å²	58.3	77%	0.77	34%	0.342	S	S	*	.	H	α-helix	trans	-69.8	-40	178.9	-175.6	-180	177	-176.4	0	111.9	S237	S237-K239 PolarHBondContact O-N 3.09Å; S237-K239 PolarHBondContact OG-N 3.35Å
240	T	83.8	Confident	85.7	Confident	32 Å²	32	61.7 Å²	61.7	20%	0.196	36%	0.355	C	S	.	.	H	α-helix	trans	-92.5	-20.3	-174.6	52.5	0	0	0	0	113.2	E235 S237 G242 V243 V244	E235-T240 WeakPolarHBondContact O-CB 3.46Å; E235-T240 WeakPolarHBondContact O-CG2 3.44Å; E235-T240 PolarHBondContact O-OG1 3.43Å; S237-T240 PolarHBondContact N-OG1 3.15Å; S237-T240 PolarHBondContact O-N 2.88Å; S237-T240 PolarHBondContact O-OG1 3.3Å; S237-T240 PolarHBondContact OG-N 2.57Å; S237-T240 PolarHBondContact OG-OG1 3.44Å; S237-T240 VanDerWaalsContact OG-OG1 3.09Å; T240-G242 VanDerWaalsContact C-N 3.3Å; T240-G242 PolarHBondContact O-N 2.91Å; T240-V243 WeakPolarHBondContact O-CB 3.4Å; T240-V243 PolarHBondContact O-N 2.96Å; T240-V244 WeakPolarHBondContact O-CG2 3.44Å; T240-V244 PolarHBondContact O-N 2.86Å
241	A	84.7	Confident	86.3	Confident	17 Å²	17	61.3 Å²	61.3	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-54.1	-44.8	179.3	0	0	0	0	0	112.4	F236 S237 V243 V244 F245	F236-A241 HydrophobicContact CE2-CB 3.87Å; F236-A241 HydrophobicContact CZ-CB 4.11Å; S237-A241 VanDerWaalsContact O-CB 3.26Å; S237-A241 WeakPolarHBondContact O-CB 3.05Å; S237-A241 PolarHBondContact O-N 3.27Å; A241-V243 VanDerWaalsContact C-N 3.27Å; A241-V243 PolarHBondContact O-N 3.16Å; A241-V244 PolarHBondContact O-N 2.92Å; A241-F245 HydrophobicContact CB-CD2 4.2Å; A241-F245 HydrophobicContact CB-CE2 4.11Å; A241-F245 WeakPolarHBondContact O-CD2 3.28Å; A241-F245 PolarHBondContact O-N 3.06Å
242	G	79.5	Confident	86.6	Confident	55 Å²	55	59.6 Å²	59.6	57%	0.567	34%	0.338	S	S	*	.	H	α-helix	trans	-60.5	-36.2	177.9	0	0	0	0	0	113.3	T240 G246	T240-G242 VanDerWaalsContact C-N 3.3Å; T240-G242 PolarHBondContact O-N 2.91Å; G242-G246 WeakPolarHBondContact O-CA 3.48Å; G242-G246 PolarHBondContact O-N 3.21Å
243	V	79.4	Confident	86.8	Confident	75 Å²	75	59 Å²	59	46%	0.455	34%	0.335	S	S	.	.	H	α-helix	trans	-70.8	-43.8	176	-179.3	0	0	0	0	110.7	V230 T240 A241 S247	V230-V243 HydrophobicContact CG2-CG1 4.14Å; T240-V243 WeakPolarHBondContact O-CB 3.4Å; T240-V243 PolarHBondContact O-N 2.96Å; A241-V243 VanDerWaalsContact C-N 3.27Å; A241-V243 PolarHBondContact O-N 3.16Å; V243-S247 VanDerWaalsContact O-CB 3.28Å; V243-S247 WeakPolarHBondContact O-CB 3.48Å; V243-S247 PolarHBondContact O-N 2.67Å
244	V	84.6	Confident	87	Confident	6 Å²	6	58.2 Å²	58.2	4%	0.036	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-52.5	178.2	173.2	0	0	0	0	110.8	T240 A241 I284 L315	T240-V244 WeakPolarHBondContact O-CG2 3.44Å; T240-V244 PolarHBondContact O-N 2.86Å; A241-V244 PolarHBondContact O-N 2.92Å; V244-I284 HydrophobicContact CG1-CD1 4.17Å; V244-I284 HydrophobicContact CG2-CD1 4.44Å; V244-I284 HydrophobicContact CG2-CG2 3.79Å; V244-L315 HydrophobicContact CG1-CD1 4.42Å
245	F	85	Confident	87.2	Confident	136 Å²	136	57.8 Å²	57.8	60%	0.596	33%	0.327	S	S	*	.	H	α-helix	trans	-76.4	-22.7	-177.1	-65	-63.4	0	0	0	113.9	F236 A241 L315	F236-F245 HydrophobicContact CE2-CE2 4.06Å; F236-F245 HydrophobicContact CE2-CZ 4.36Å; F236-F245 HydrophobicContact CZ-CE2 4.28Å; A241-F245 HydrophobicContact CB-CD2 4.2Å; A241-F245 HydrophobicContact CB-CE2 4.11Å; A241-F245 WeakPolarHBondContact O-CD2 3.28Å; A241-F245 PolarHBondContact O-N 3.06Å; F245-L315 HydrophobicContact CD1-CD1 3.93Å; F245-L315 HydrophobicContact CE1-CD1 4.29Å; F245-L315 HydrophobicContact CE1-CD2 4.46Å
246	G	80.3	Confident	87.4	Confident	63 Å²	63	54.9 Å²	54.9	65%	0.649	31%	0.313	S	S	*	.	H	α-helix	trans	-92.2	-3.5	177.3	0	0	0	0	0	114.4	G242	G242-G246 WeakPolarHBondContact O-CA 3.48Å; G242-G246 PolarHBondContact O-N 3.21Å
247	S	79.7	Confident	87.6	Confident	35 Å²	35	53.6 Å²	53.6	25%	0.245	31%	0.308	C	S	.	.			trans	-71.8	142.8	-177.1	-175.7	0	0	0	0	111.8	V243 I249	V243-S247 VanDerWaalsContact O-CB 3.28Å; V243-S247 WeakPolarHBondContact O-CB 3.48Å; V243-S247 PolarHBondContact O-N 2.67Å; S247-I249 PolarHBondContact O-N 3.06Å; S247-I249 WeakPolarHBondContact OG-CB 3.29Å; S247-I249 PolarHBondContact OG-N 3.04Å
248	P	82.5	Confident	88	Confident	124 Å²	124	52.2 Å²	52.2	81%	0.805	30%	0.299	S	S	*	.	S	Bend	trans	-68	-16	166.6	30.1	-35.6	0	0	0	112.5	Q250	P248-Q250 PolarHBondContact O-N 3.33Å
249	I	88.8	Confident	88.7	Confident	37 Å²	37	48.9 Å²	48.9	19%	0.19	28%	0.281	C	S	.	.			trans	-76.5	107	172.2	-59.3	175.2	0	0	0	107.6	S247 K251 H252 H282	S247-I249 PolarHBondContact O-N 3.06Å; S247-I249 WeakPolarHBondContact OG-CB 3.29Å; S247-I249 PolarHBondContact OG-N 3.04Å; I249-K251 WeakPolarHBondContact CG2-O 3.46Å; I249-H252 PolarHBondContact O-CE1 3.39Å; I249-H252 PolarHBondContact O-NE2 3.06Å; I249-H282 HydrophobicContact CG2-CB 4.29Å
250	Q	91.1	Very high	89.5	Confident	97 Å²	97	45 Å²	45	45%	0.453	28%	0.276	S	S	.	.			trans	-83.1	-20.8	-178.2	-66	-176.4	-2.4	0	0	113.4	P248 E314 L315	P248-Q250 PolarHBondContact O-N 3.33Å; Q250-E314 CarbonylContact O-C 3.55Å; Q250-E314 WeakPolarHBondContact O-CA 3.48Å; Q250-L315 WeakPolarHBondContact CB-O 3.28Å; Q250-L315 VanDerWaalsContact CG-O 3.22Å; Q250-L315 WeakPolarHBondContact CG-O 3.37Å; Q250-L315 PolarHBondContact O-N 3.49Å
251	K	95.3	Very high	89.9	Confident	40 Å²	40	47.1 Å²	47.1	17%	0.174	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.9	-176.8	-70.3	-179.2	170.5	68.7	0	110.6	I249 L281 H282 I313 E314 I342	I249-K251 WeakPolarHBondContact CG2-O 3.46Å; K251-L281 HydrophobicContact CB-CB 4.4Å; K251-L281 HydrophobicContact CB-CD1 4.13Å; K251-L281 HydrophobicContact CB-CG 4.46Å; K251-L281 VanDerWaalsContact O-CA 3.24Å; K251-L281 WeakPolarHBondContact O-CA 3.49Å; K251-L281 WeakPolarHBondContact O-CG 3.49Å; K251-H282 PolarHBondContact O-N 3.29Å; K251-I313 CarbonylContact C-O 3.57Å; K251-I313 WeakPolarHBondContact CA-O 3.31Å; K251-E314 WeakPolarHBondContact CE-OE2 3.47Å; K251-E314 HydrophobicContact CG-CB 4.25Å; K251-E314 HydrophobicContact CG-CG 4.16Å; K251-E314 IonicContact NZ-OE1 3.44Å; K251-E314 PolarHBondContact NZ-OE1 3.04Å; K251-E314 IonicContact NZ-OE2 2.82Å; K251-E314 PolarHBondContact NZ-OE2 3.32Å; K251-I342 HydrophobicContact CD-CG1 4.13Å
252	H	96.3	Very high	90.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.3	176.3	-52.8	-97.2	0	0	0	111.7	I249 H282 I312 I313	I249-H252 PolarHBondContact O-CE1 3.39Å; I249-H252 PolarHBondContact O-NE2 3.06Å; H252-H282 CarbonylContact C-O 3.59Å; H252-H282 WeakPolarHBondContact CA-O 3.18Å; H252-H282 AromaticContact ND1-ND1 3.83Å; H252-I312 CarbonylContact O-C 3.55Å; H252-I312 VanDerWaalsContact O-CA 3.27Å; H252-I312 WeakPolarHBondContact O-CA 3.29Å; H252-I313 HydrophobicContact CB-CG2 3.81Å; H252-I313 PolarHBondContact N-O 2.99Å; H252-I313 PolarHBondContact O-N 3.48Å
253	I	97.6	Very high	91	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	123.8	156.7	-68.6	168.5	0	0	0	106.7	V273 L281 H282 V283 I284 Y310 R311 I312 V338	I253-V273 HydrophobicContact CD1-CG1 4.09Å; I253-L281 HydrophobicContact CB-CD2 4.42Å; I253-L281 HydrophobicContact CD1-CD2 3.79Å; I253-L281 HydrophobicContact CG1-CD1 4.08Å; I253-L281 HydrophobicContact CG1-CD2 3.77Å; I253-L281 HydrophobicContact CG1-CG 4.44Å; I253-H282 PolarHBondContact N-O 3.15Å; I253-V283 HydrophobicContact CB-CB 4.47Å; I253-V283 HydrophobicContact CB-CG1 4.16Å; I253-V283 HydrophobicContact CB-CG2 4.16Å; I253-V283 HydrophobicContact CD1-CG2 3.93Å; I253-V283 HydrophobicContact CG1-CG2 4.47Å; I253-V283 HydrophobicContact CG2-CG1 4.18Å; I253-I284 WeakPolarHBondContact O-CG1 3.45Å; I253-I284 PolarHBondContact O-N 2.85Å; I253-I284 VanDerWaalsContact O-O 3.08Å; I253-Y310 HydrophobicContact CG2-CD2 3.91Å; I253-Y310 HydrophobicContact CG2-CG 4.4Å; I253-R311 CarbonylContact C-O 3.6Å; I253-R311 WeakPolarHBondContact CA-O 3.3Å; I253-I312 HydrophobicContact CG1-CD1 4.39Å; I253-I312 HydrophobicContact CG1-CG1 3.81Å; I253-V338 HydrophobicContact CD1-CG2 3.47Å; I253-V338 VanDerWaalsContact CD1-CG2 3.47Å; I253-V338 HydrophobicContact CG1-CG2 4.08Å
254	V	97.7	Very high	91.6	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105.9	169.4	-169.1	0	0	0	0	107.8	F256 I284 V286 F300 Y310 R311 I313	V254-F256 HydrophobicContact CB-CE2 4.13Å; V254-F256 HydrophobicContact CB-CZ 4.34Å; V254-F256 HydrophobicContact CG1-CE1 4.24Å; V254-F256 HydrophobicContact CG1-CE2 3.71Å; V254-F256 HydrophobicContact CG1-CZ 3.52Å; V254-I284 HydrophobicContact CB-CG1 4.26Å; V254-I284 HydrophobicContact CG1-CD1 4.25Å; V254-I284 HydrophobicContact CG1-CG1 4.17Å; V254-I284 HydrophobicContact CG2-CD1 3.91Å; V254-I284 HydrophobicContact CG2-CG1 3.97Å; V254-V286 HydrophobicContact CG1-CG2 3.61Å; V254-F300 HydrophobicContact CB-CE2 4.38Å; V254-F300 HydrophobicContact CB-CZ 4.04Å; V254-F300 HydrophobicContact CG1-CE2 4.16Å; V254-F300 HydrophobicContact CG1-CZ 4.32Å; V254-F300 HydrophobicContact CG2-CE1 4.47Å; V254-F300 HydrophobicContact CG2-CE2 4.3Å; V254-F300 HydrophobicContact CG2-CZ 3.71Å; V254-Y310 CarbonylContact O-C 3.58Å; V254-Y310 VanDerWaalsContact O-CA 3.25Å; V254-Y310 WeakPolarHBondContact O-CA 3.49Å; V254-Y310 WeakPolarHBondContact O-CB 3.34Å; V254-R311 PolarHBondContact N-O 3.04Å; V254-R311 PolarHBondContact O-N 3.02Å; V254-I313 HydrophobicContact CG2-CB 4.41Å; V254-I313 HydrophobicContact CG2-CG2 3.57Å
255	F	97.8	Very high	92.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.2	178.6	-149	-71.4	0	0	0	110.1	L257 L266 L270 I284 Y285 V286 P308 T309 Y310 Y329 M334	F255-L257 HydrophobicContact CD1-CB 4.21Å; F255-L257 HydrophobicContact CD1-CD2 4.14Å; F255-L257 HydrophobicContact CE1-CB 4.49Å; F255-L266 HydrophobicContact CD1-CD2 4.47Å; F255-L266 HydrophobicContact CE1-CD2 3.58Å; F255-L266 HydrophobicContact CE1-CG 4.38Å; F255-L266 HydrophobicContact CE2-CD1 4.16Å; F255-L266 HydrophobicContact CZ-CD1 3.89Å; F255-L266 HydrophobicContact CZ-CD2 3.62Å; F255-L266 HydrophobicContact CZ-CG 4.12Å; F255-L270 HydrophobicContact CB-CD1 4.18Å; F255-L270 HydrophobicContact CD1-CD1 4.42Å; F255-L270 HydrophobicContact CD2-CD1 3.58Å; F255-L270 HydrophobicContact CD2-CD2 3.54Å; F255-L270 HydrophobicContact CD2-CG 4.12Å; F255-L270 HydrophobicContact CE2-CD1 4.11Å; F255-L270 HydrophobicContact CE2-CD2 3.94Å; F255-L270 HydrophobicContact CE2-CG 4.42Å; F255-L270 HydrophobicContact CG-CD1 3.77Å; F255-L270 HydrophobicContact CG-CD2 4.48Å; F255-I284 PolarHBondContact N-O 3.09Å; F255-Y285 CarbonylContact O-C 3.39Å; F255-Y285 WeakPolarHBondContact O-CA 3.44Å; F255-V286 PolarHBondContact O-N 3.5Å; F255-P308 HydrophobicContact CE1-CB 3.87Å; F255-P308 HydrophobicContact CZ-CB 4.44Å; F255-T309 WeakPolarHBondContact CD1-O 3.45Å; F255-Y310 HydrophobicContact CD2-CD1 4.2Å; F255-Y310 AromaticContact CD2-CG 3.94Å; F255-Y310 HydrophobicContact CD2-CG 3.94Å; F255-Y310 AromaticContact CE2-CD1 3.67Å; F255-Y310 HydrophobicContact CE2-CD1 3.67Å; F255-Y310 AromaticContact CE2-CG 3.91Å; F255-Y310 HydrophobicContact CE2-CG 3.91Å; F255-Y310 HydrophobicContact CZ-CD1 4.33Å; F255-Y329 HydrophobicContact CE2-CD1 4.22Å; F255-Y329 AromaticContact CZ-CD1 3.98Å; F255-Y329 HydrophobicContact CZ-CD1 3.98Å; F255-Y329 HydrophobicContact CZ-CE1 4.09Å; F255-Y329 HydrophobicContact CZ-CG 4.49Å; F255-M334 HydrophobicContact CE2-SD 4.34Å
256	F	97.7	Very high	92.6	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.2	177.1	-61.8	-90	0	0	0	108.2	V254 V286 V288 V296 L297 F300 L302 P308 T309	V254-F256 HydrophobicContact CB-CE2 4.13Å; V254-F256 HydrophobicContact CB-CZ 4.34Å; V254-F256 HydrophobicContact CG1-CE1 4.24Å; V254-F256 HydrophobicContact CG1-CE2 3.71Å; V254-F256 HydrophobicContact CG1-CZ 3.52Å; F256-V286 HydrophobicContact CD1-CB 3.85Å; F256-V286 HydrophobicContact CD1-CG1 4.09Å; F256-V286 HydrophobicContact CD1-CG2 4.38Å; F256-V286 HydrophobicContact CE1-CB 3.99Å; F256-V286 HydrophobicContact CE1-CG1 4.13Å; F256-V286 HydrophobicContact CE1-CG2 4.05Å; F256-V288 HydrophobicContact CB-CG1 3.95Å; F256-V288 HydrophobicContact CD1-CG1 4.49Å; F256-V296 HydrophobicContact CE1-CG1 4.01Å; F256-V296 HydrophobicContact CZ-CG1 4.26Å; F256-L297 HydrophobicContact CD1-CD1 3.95Å; F256-L297 HydrophobicContact CD1-CG 3.73Å; F256-L297 HydrophobicContact CE1-CD1 4.18Å; F256-L297 HydrophobicContact CE1-CG 3.99Å; F256-F300 HydrophobicContact CE1-CD2 4.35Å; F256-F300 HydrophobicContact CE2-CB 4.39Å; F256-F300 HydrophobicContact CE2-CD2 4.14Å; F256-F300 HydrophobicContact CE2-CG 4.18Å; F256-F300 HydrophobicContact CZ-CB 4.15Å; F256-F300 AromaticContact CZ-CD2 3.41Å; F256-F300 HydrophobicContact CZ-CD2 3.41Å; F256-F300 VanDerWaalsContact CZ-CD2 3.41Å; F256-F300 AromaticContact CZ-CE2 3.88Å; F256-F300 HydrophobicContact CZ-CE2 3.88Å; F256-F300 AromaticContact CZ-CG 3.86Å; F256-F300 HydrophobicContact CZ-CG 3.86Å; F256-L302 HydrophobicContact CD1-CD1 4.37Å; F256-L302 HydrophobicContact CD2-CD1 3.39Å; F256-L302 HydrophobicContact CE1-CD1 4.43Å; F256-L302 HydrophobicContact CE2-CD1 3.48Å; F256-L302 VanDerWaalsContact CE2-CD1 3.48Å; F256-L302 HydrophobicContact CG-CD1 3.88Å; F256-L302 HydrophobicContact CZ-CD1 4.02Å; F256-P308 VanDerWaalsContact O-CA 3.27Å; F256-P308 WeakPolarHBondContact O-CA 3.11Å; F256-T309 HydrophobicContact CB-CG2 4.27Å; F256-T309 HydrophobicContact CD2-CG2 4.34Å; F256-T309 PolarHBondContact N-O 2.99Å; F256-T309 PolarHBondContact O-N 3.08Å; F256-T309 VanDerWaalsContact O-N 3.12Å
257	L	96.6	Very high	93.3	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.9	-178	62.1	79.1	0	0	0	110.4	F255 K259 Y285 V286 D287 V288	F255-L257 HydrophobicContact CD1-CB 4.21Å; F255-L257 HydrophobicContact CD1-CD2 4.14Å; F255-L257 HydrophobicContact CE1-CB 4.49Å; L257-K259 HydrophobicContact CD1-CG 4.21Å; L257-Y285 HydrophobicContact CD1-CD2 3.68Å; L257-Y285 HydrophobicContact CD1-CE2 4.05Å; L257-Y285 HydrophobicContact CD2-CD2 4.04Å; L257-Y285 HydrophobicContact CD2-CG 4.07Å; L257-Y285 HydrophobicContact CG-CD2 3.89Å; L257-Y285 HydrophobicContact CG-CG 4.36Å; L257-V286 PolarHBondContact N-O 3.32Å; L257-V286 VanDerWaalsContact N-O 3.15Å; L257-V286 VanDerWaalsContact O-O 3.14Å; L257-D287 CarbonylContact O-C 3.41Å; L257-D287 VanDerWaalsContact O-CA 3.31Å; L257-D287 WeakPolarHBondContact O-CA 3.43Å; L257-V288 PolarHBondContact O-N 3.29Å
258	S	95.8	Very high	94	Very high	16 Å²	16	52.4 Å²	52.4	11%	0.112	29%	0.293	C	S	.	.			trans	-104.1	123.2	177.3	164.3	0	0	0	0	109.1	S260 T261 H263 D289	S258-S260 PolarHBondContact O-N 2.88Å; S258-S260 PolarHBondContact OG-N 2.84Å; S258-S260 PolarHBondContact OG-OG 3.19Å; S258-T261 PolarHBondContact O-N 3.01Å; S258-T261 VanDerWaalsContact O-N 3.1Å; S258-H263 PolarHBondContact O-CD2 2.84Å; S258-H263 PolarHBondContact O-NE2 2.88Å; S258-D289 WeakPolarHBondContact CB-OD2 3.15Å; S258-D289 VanDerWaalsContact OG-CG 3.29Å; S258-D289 PolarHBondContact OG-OD1 3.45Å; S258-D289 PolarHBondContact OG-OD2 3.09Å
259	K	93.1	Very high	94.7	Very high	106 Å²	106	49.6 Å²	49.6	46%	0.461	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.6	174.9	-69.1	179.2	96.8	171.2	0	112.8	E235 L257 T261 Y285 D287 D289	E235-K259 WeakPolarHBondContact OE1-CD 3.27Å; E235-K259 IonicContact OE1-NZ 2.66Å; E235-K259 PolarHBondContact OE1-NZ 3.21Å; E235-K259 IonicContact OE2-NZ 2.66Å; E235-K259 PolarHBondContact OE2-NZ 3.24Å; L257-K259 HydrophobicContact CD1-CG 4.21Å; K259-T261 PolarHBondContact O-N 3.29Å; K259-Y285 HydrophobicContact CD-CE2 4.17Å; K259-Y285 WeakPolarHBondContact CE-OH 3.45Å; K259-Y285 HydrophobicContact CG-CE2 4.33Å; K259-Y285 PolarHBondContact NZ-OH 2.75Å; K259-D287 WeakPolarHBondContact CB-OD2 3.43Å; K259-D287 HydrophobicContact CD-CB 3.91Å; K259-D287 VanDerWaalsContact CD-OD2 3.29Å; K259-D287 WeakPolarHBondContact CD-OD2 3.28Å; K259-D287 HydrophobicContact CG-CB 4.01Å; K259-D287 WeakPolarHBondContact CG-OD2 3.48Å; K259-D287 PolarHBondContact N-OD1 2.77Å; K259-D289 PolarHBondContact N-OD2 3.25Å
260	S	92.4	Very high	95.1	Very high	94 Å²	94	47.8 Å²	47.8	66%	0.657	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.3	169	80.6	0	0	0	0	113.5	S258 D289	S258-S260 PolarHBondContact O-N 2.88Å; S258-S260 PolarHBondContact OG-N 2.84Å; S258-S260 PolarHBondContact OG-OG 3.19Å; S260-D289 WeakPolarHBondContact CB-OD2 3.43Å; S260-D289 PolarHBondContact N-OD2 2.95Å; S260-D289 VanDerWaalsContact N-OD2 3.12Å; S260-D289 PolarHBondContact OG-OD2 3.46Å
261	T	93.2	Very high	95.3	Very high	77 Å²	77	44.3 Å²	44.3	47%	0.472	25%	0.245	S	C	.	.	S	Bend	trans	-112.8	143.1	177.3	-56.8	0	0	0	0	110.7	S258 K259 H263	S258-T261 PolarHBondContact O-N 3.01Å; S258-T261 VanDerWaalsContact O-N 3.1Å; K259-T261 PolarHBondContact O-N 3.29Å; T261-H263 PolarHBondContact O-CD2 3.01Å; T261-H263 PolarHBondContact O-N 3.42Å
262	D	93.4	Very high	95.4	Very high	133 Å²	133	47 Å²	47	71%	0.711	26%	0.258	S	S	*	.			trans	-71.3	113.9	173.7	-175.8	4.8	0	0	0	110.4	S264	D262-S264 VanDerWaalsContact OD1-CB 3.27Å; D262-S264 WeakPolarHBondContact OD1-CB 3.46Å; D262-S264 PolarHBondContact OD1-N 3Å; D262-S264 PolarHBondContact OD1-OG 3.37Å
263	H	93.5	Very high	95.5	Very high	35 Å²	35	47 Å²	47	16%	0.162	26%	0.258	C	S	.	.			trans	-118.1	20.5	177.6	-67.9	-55.4	0	0	0	112.3	S258 T261 D265 L266 V267	S258-H263 PolarHBondContact O-CD2 2.84Å; S258-H263 PolarHBondContact O-NE2 2.88Å; T261-H263 PolarHBondContact O-CD2 3.01Å; T261-H263 PolarHBondContact O-N 3.42Å; H263-D265 PolarHBondContact O-N 3.12Å; H263-L266 HydrophobicContact CB-CB 4.38Å; H263-L266 WeakPolarHBondContact O-CA 3.13Å; H263-L266 WeakPolarHBondContact O-CB 3.36Å; H263-L266 PolarHBondContact O-N 3.17Å; H263-V267 WeakPolarHBondContact O-CG2 3.22Å; H263-V267 PolarHBondContact O-N 3.42Å
264	S	91.9	Very high	95.4	Very high	64 Å²	64	47 Å²	47	45%	0.448	26%	0.258	S	S	.	.	H	α-helix	trans	-51.3	-52.9	-178.4	49	0	0	0	0	113.6	D262 L266 V267 D268	D262-S264 VanDerWaalsContact OD1-CB 3.27Å; D262-S264 WeakPolarHBondContact OD1-CB 3.46Å; D262-S264 PolarHBondContact OD1-N 3Å; D262-S264 PolarHBondContact OD1-OG 3.37Å; S264-L266 PolarHBondContact O-N 3.06Å; S264-V267 PolarHBondContact O-N 3.04Å; S264-V267 VanDerWaalsContact O-N 3.1Å; S264-D268 PolarHBondContact O-N 3.45Å
265	D	95.4	Very high	95.3	Very high	95 Å²	95	52.4 Å²	52.4	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-57.8	-35	176.5	168	76.6	0	0	0	113.2	H263 K269	H263-D265 PolarHBondContact O-N 3.12Å; D265-K269 WeakPolarHBondContact O-CD 2.86Å; D265-K269 VanDerWaalsContact O-CG 3.28Å; D265-K269 WeakPolarHBondContact O-CG 3.42Å; D265-K269 PolarHBondContact O-N 2.9Å; D265-K269 VanDerWaalsContact O-N 3.14Å; D265-K269 WeakPolarHBondContact OD1-CE 3.42Å; D265-K269 IonicContact OD1-NZ 2.66Å; D265-K269 PolarHBondContact OD1-NZ 3.3Å; D265-K269 VanDerWaalsContact OD2-CE 3.31Å; D265-K269 WeakPolarHBondContact OD2-CE 3.48Å; D265-K269 IonicContact OD2-NZ 3.03Å; D265-K269 PolarHBondContact OD2-NZ 3Å
266	L	95.5	Very high	95.2	Very high	17 Å²	17	57.3 Å²	57.3	9%	0.089	30%	0.301	C	S	.	.	H	α-helix	trans	-72.8	-40.9	176.7	178.1	60.7	0	0	0	111.5	F255 H263 S264 D268 K269 L270 P308 Y329	F255-L266 HydrophobicContact CD1-CD2 4.47Å; F255-L266 HydrophobicContact CE1-CD2 3.58Å; F255-L266 HydrophobicContact CE1-CG 4.38Å; F255-L266 HydrophobicContact CE2-CD1 4.16Å; F255-L266 HydrophobicContact CZ-CD1 3.89Å; F255-L266 HydrophobicContact CZ-CD2 3.62Å; F255-L266 HydrophobicContact CZ-CG 4.12Å; H263-L266 HydrophobicContact CB-CB 4.38Å; H263-L266 WeakPolarHBondContact O-CA 3.13Å; H263-L266 WeakPolarHBondContact O-CB 3.36Å; H263-L266 PolarHBondContact O-N 3.17Å; S264-L266 PolarHBondContact O-N 3.06Å; L266-D268 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 3.28Å; L266-K269 PolarHBondContact O-N 3.42Å; L266-L270 HydrophobicContact CG-CD1 4.29Å; L266-L270 WeakPolarHBondContact O-CB 3.34Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.27Å; L266-L270 PolarHBondContact O-N 3.27Å; L266-P308 HydrophobicContact CD2-CB 4.31Å; L266-Y329 HydrophobicContact CD1-CG 4.27Å
267	V	94.1	Very high	95.1	Very high	45 Å²	45	57.9 Å²	57.9	27%	0.273	30%	0.303	S	S	.	.	H	α-helix	trans	-63.7	-37.9	175	173.7	0	0	0	0	110.8	H263 S264 L270 T271	H263-V267 WeakPolarHBondContact O-CG2 3.22Å; H263-V267 PolarHBondContact O-N 3.42Å; S264-V267 PolarHBondContact O-N 3.04Å; S264-V267 VanDerWaalsContact O-N 3.1Å; V267-L270 PolarHBondContact O-N 3.35Å; V267-T271 WeakPolarHBondContact O-CB 3.4Å; V267-T271 PolarHBondContact O-N 2.68Å; V267-T271 PolarHBondContact O-OG1 3.48Å
268	D	94.9	Very high	94.7	Very high	110 Å²	110	61.8 Å²	61.8	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-62.2	-46.9	174.4	-72.1	-18.6	0	0	0	111.4	S264 L266 L270 T271 E272	S264-D268 PolarHBondContact O-N 3.45Å; L266-D268 VanDerWaalsContact C-N 3.31Å; L266-D268 PolarHBondContact O-N 3.28Å; D268-L270 PolarHBondContact O-N 3.46Å; D268-T271 WeakPolarHBondContact O-CB 3Å; D268-T271 PolarHBondContact O-N 3.1Å; D268-E272 PolarHBondContact O-N 3.44Å
269	K	97.3	Very high	94.2	Very high	64 Å²	64	63.8 Å²	63.8	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-60.9	-42.6	174.7	-70.7	165.9	-177.7	166.2	0	112.1	D265 L266 T271 E272 V273 V331 M334	D265-K269 WeakPolarHBondContact O-CD 2.86Å; D265-K269 VanDerWaalsContact O-CG 3.28Å; D265-K269 WeakPolarHBondContact O-CG 3.42Å; D265-K269 PolarHBondContact O-N 2.9Å; D265-K269 VanDerWaalsContact O-N 3.14Å; D265-K269 WeakPolarHBondContact OD1-CE 3.42Å; D265-K269 IonicContact OD1-NZ 2.66Å; D265-K269 PolarHBondContact OD1-NZ 3.3Å; D265-K269 VanDerWaalsContact OD2-CE 3.31Å; D265-K269 WeakPolarHBondContact OD2-CE 3.48Å; D265-K269 IonicContact OD2-NZ 3.03Å; D265-K269 PolarHBondContact OD2-NZ 3Å; L266-K269 PolarHBondContact O-N 3.42Å; K269-T271 VanDerWaalsContact C-N 3.3Å; K269-T271 PolarHBondContact O-N 3.28Å; K269-E272 WeakPolarHBondContact O-CB 3.31Å; K269-E272 PolarHBondContact O-N 3.12Å; K269-V273 WeakPolarHBondContact O-CG2 3.46Å; K269-V273 PolarHBondContact O-N 3.23Å; K269-V331 HydrophobicContact CB-CG2 3.87Å; K269-V331 HydrophobicContact CG-CG2 3.91Å; K269-M334 HydrophobicContact CB-CE 3.94Å
270	L	96.8	Very high	94.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64	-37.1	176	-74.5	171.2	0	0	0	111.9	V233 F255 L266 V267 D268 V273 A274 V283 M334	V233-L270 HydrophobicContact CG2-CB 4.02Å; F255-L270 HydrophobicContact CB-CD1 4.18Å; F255-L270 HydrophobicContact CD1-CD1 4.42Å; F255-L270 HydrophobicContact CD2-CD1 3.58Å; F255-L270 HydrophobicContact CD2-CD2 3.54Å; F255-L270 HydrophobicContact CD2-CG 4.12Å; F255-L270 HydrophobicContact CE2-CD1 4.11Å; F255-L270 HydrophobicContact CE2-CD2 3.94Å; F255-L270 HydrophobicContact CE2-CG 4.42Å; F255-L270 HydrophobicContact CG-CD1 3.77Å; F255-L270 HydrophobicContact CG-CD2 4.48Å; L266-L270 HydrophobicContact CG-CD1 4.29Å; L266-L270 WeakPolarHBondContact O-CB 3.34Å; L266-L270 VanDerWaalsContact O-CG 3.3Å; L266-L270 WeakPolarHBondContact O-CG 3.27Å; L266-L270 PolarHBondContact O-N 3.27Å; V267-L270 PolarHBondContact O-N 3.35Å; D268-L270 PolarHBondContact O-N 3.46Å; L270-V273 PolarHBondContact O-N 3.48Å; L270-A274 VanDerWaalsContact O-CB 3.26Å; L270-A274 WeakPolarHBondContact O-CB 3.34Å; L270-A274 PolarHBondContact O-N 3.35Å; L270-V283 HydrophobicContact CB-CG1 4.32Å; L270-V283 HydrophobicContact CD2-CG1 4.2Å; L270-M334 HydrophobicContact CD2-CE 4.15Å; L270-M334 HydrophobicContact CD2-SD 3.7Å
271	T	95.5	Very high	94.2	Very high	23 Å²	23	61.4 Å²	61.4	14%	0.141	32%	0.322	C	S	.	.	H	α-helix	trans	-65.9	-39.8	175.3	-56.2	0	0	0	0	110.9	L232 V233 V267 D268 K269 A274 R275	L232-T271 HydrophobicContact CB-CG2 4.36Å; L232-T271 HydrophobicContact CD1-CG2 3.95Å; V233-T271 WeakPolarHBondContact CG2-OG1 3.45Å; V267-T271 WeakPolarHBondContact O-CB 3.4Å; V267-T271 PolarHBondContact O-N 2.68Å; V267-T271 PolarHBondContact O-OG1 3.48Å; D268-T271 WeakPolarHBondContact O-CB 3Å; D268-T271 PolarHBondContact O-N 3.1Å; K269-T271 VanDerWaalsContact C-N 3.3Å; K269-T271 PolarHBondContact O-N 3.28Å; T271-A274 PolarHBondContact O-N 3.45Å; T271-R275 WeakPolarHBondContact O-CB 3.41Å; T271-R275 PolarHBondContact O-N 2.72Å
272	E	97	Very high	94.2	Very high	96 Å²	96	58.5 Å²	58.5	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-62.1	-45.5	173.1	-169.4	-179.9	155.2	0	0	111.9	D268 K269 R275 Q276 V331	D268-E272 PolarHBondContact O-N 3.44Å; K269-E272 WeakPolarHBondContact O-CB 3.31Å; K269-E272 PolarHBondContact O-N 3.12Å; E272-R275 PolarHBondContact O-N 2.95Å; E272-Q276 WeakPolarHBondContact O-CG 3.43Å; E272-Q276 PolarHBondContact O-N 3.31Å; E272-V331 HydrophobicContact CB-CG1 4.43Å; E272-V331 HydrophobicContact CB-CG2 4.27Å; E272-V331 HydrophobicContact CG-CG1 4.07Å; E272-V331 HydrophobicContact CG-CG2 4.47Å
273	V	97.9	Very high	94.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-50.3	173.9	174.9	0	0	0	0	110.4	I253 K269 L270 R275 Q276 F277 V331 M334 V338	I253-V273 HydrophobicContact CD1-CG1 4.09Å; K269-V273 WeakPolarHBondContact O-CG2 3.46Å; K269-V273 PolarHBondContact O-N 3.23Å; L270-V273 PolarHBondContact O-N 3.48Å; V273-R275 PolarHBondContact O-N 2.84Å; V273-Q276 WeakPolarHBondContact O-CB 3.4Å; V273-Q276 PolarHBondContact O-N 3.43Å; V273-F277 HydrophobicContact CG1-CD2 4Å; V273-F277 HydrophobicContact CG1-CE2 4.12Å; V273-F277 VanDerWaalsContact O-CD2 3.25Å; V273-F277 WeakPolarHBondContact O-CD2 3.5Å; V273-F277 PolarHBondContact O-N 3.34Å; V273-V331 HydrophobicContact CG2-CB 4.44Å; V273-V331 HydrophobicContact CG2-CG1 3.92Å; V273-M334 HydrophobicContact CG2-CB 3.84Å; V273-M334 HydrophobicContact CG2-CE 3.97Å; V273-V338 HydrophobicContact CG1-CG2 4.26Å
274	A	96.2	Very high	94.4	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-55.2	-40.3	179.7	0	0	0	0	0	111.9	L232 V233 L270 T271 Q276 F277 K278 V283	L232-A274 HydrophobicContact CB-CB 3.81Å; L232-A274 HydrophobicContact CD2-CB 4.34Å; L232-A274 WeakPolarHBondContact O-CB 3.35Å; V233-A274 HydrophobicContact CG2-CB 4.35Å; L270-A274 VanDerWaalsContact O-CB 3.26Å; L270-A274 WeakPolarHBondContact O-CB 3.34Å; L270-A274 PolarHBondContact O-N 3.35Å; T271-A274 PolarHBondContact O-N 3.45Å; A274-Q276 PolarHBondContact O-N 3.38Å; A274-F277 CarbonylContact O-C 3.58Å; A274-F277 PolarHBondContact O-N 3.39Å; A274-K278 PolarHBondContact O-N 2.86Å; A274-V283 HydrophobicContact CB-CB 4.22Å; A274-V283 HydrophobicContact CB-CG2 3.61Å
275	R	94.5	Very high	94.7	Very high	117 Å²	117	49.5 Å²	49.5	44%	0.442	25%	0.248	S	C	.	.	H	α-helix	trans	-62.4	-39.4	176.6	-170.4	177.2	-68.7	110.3	1.1	112.5	E208 L232 T271 E272 V273 F277	E208-R275 IonicContact OE1-CZ 2.88Å; E208-R275 IonicContact OE1-NE 2.63Å; E208-R275 PolarHBondContact OE1-NE 3.37Å; E208-R275 IonicContact OE1-NH2 2.82Å; E208-R275 PolarHBondContact OE1-NH2 2.52Å; L232-R275 HydrophobicContact CD1-CB 4.13Å; T271-R275 WeakPolarHBondContact O-CB 3.41Å; T271-R275 PolarHBondContact O-N 2.72Å; E272-R275 PolarHBondContact O-N 2.95Å; V273-R275 PolarHBondContact O-N 2.84Å; R275-F277 PolarHBondContact O-N 3.14Å
276	Q	96.4	Very high	94.7	Very high	102 Å²	102	45 Å²	45	48%	0.477	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-28.2	177.7	-65.3	173.1	23.3	0	0	112.5	E272 V273 A274 S335	E272-Q276 WeakPolarHBondContact O-CG 3.43Å; E272-Q276 PolarHBondContact O-N 3.31Å; V273-Q276 WeakPolarHBondContact O-CB 3.4Å; V273-Q276 PolarHBondContact O-N 3.43Å; A274-Q276 PolarHBondContact O-N 3.38Å; Q276-S335 PolarHBondContact OE1-OG 2.73Å
277	F	95.3	Very high	94.8	Very high	13 Å²	13	44.8 Å²	44.8	6%	0.057	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	17	-176.4	-59	-78.9	0	0	0	114.1	V273 A274 R275 G279 K280 L281 V338 Q339 I342	V273-F277 HydrophobicContact CG1-CD2 4Å; V273-F277 HydrophobicContact CG1-CE2 4.12Å; V273-F277 VanDerWaalsContact O-CD2 3.25Å; V273-F277 WeakPolarHBondContact O-CD2 3.5Å; V273-F277 PolarHBondContact O-N 3.34Å; A274-F277 CarbonylContact O-C 3.58Å; A274-F277 PolarHBondContact O-N 3.39Å; R275-F277 PolarHBondContact O-N 3.14Å; F277-G279 PolarHBondContact O-N 3.1Å; F277-K280 PolarHBondContact O-N 3.04Å; F277-L281 HydrophobicContact CB-CB 4.14Å; F277-L281 PolarHBondContact O-N 2.88Å; F277-V338 HydrophobicContact CB-CG1 4.49Å; F277-V338 HydrophobicContact CD1-CG1 3.66Å; F277-V338 HydrophobicContact CD2-CB 4.21Å; F277-V338 HydrophobicContact CD2-CG1 3.61Å; F277-V338 HydrophobicContact CE1-CB 4.35Å; F277-V338 HydrophobicContact CE1-CG1 3.65Å; F277-V338 HydrophobicContact CE2-CB 3.82Å; F277-V338 HydrophobicContact CE2-CG1 3.63Å; F277-V338 HydrophobicContact CE2-CG2 4.48Å; F277-V338 HydrophobicContact CG-CG1 3.64Å; F277-V338 HydrophobicContact CZ-CB 3.89Å; F277-V338 HydrophobicContact CZ-CG1 3.65Å; F277-Q339 HydrophobicContact CE1-CB 4.36Å; F277-Q339 HydrophobicContact CZ-CB 4.31Å; F277-I342 HydrophobicContact CD1-CD1 3.64Å; F277-I342 HydrophobicContact CE1-CD1 4Å
278	K	88.4	Confident	94.9	Very high	88 Å²	88	42.8 Å²	42.8	38%	0.383	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	129.5	178.4	-175.6	174.1	179.4	172.2	0	110.7	E228 L232 A274 K280	E228-K278 VanDerWaalsContact CD-NZ 3.29Å; E228-K278 IonicContact OE1-NZ 2.77Å; E228-K278 PolarHBondContact OE1-NZ 3.24Å; E228-K278 IonicContact OE2-NZ 3.25Å; E228-K278 PolarHBondContact OE2-NZ 2.9Å; E228-K278 VanDerWaalsContact OE2-NZ 3.16Å; L232-K278 HydrophobicContact CD2-CB 4.43Å; L232-K278 HydrophobicContact CD2-CD 4.24Å; L232-K278 HydrophobicContact CD2-CG 4.31Å; A274-K278 PolarHBondContact O-N 2.86Å; K278-K280 VanDerWaalsContact C-N 3.27Å; K278-K280 PolarHBondContact O-N 3.39Å
279	G	85.6	Confident	94.9	Very high	59 Å²	59	40.8 Å²	40.8	61%	0.608	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	-8.2	-177.9	0	0	0	0	0	115.7	F277	F277-G279 PolarHBondContact O-N 3.1Å
280	K	91.5	Very high	94.8	Very high	143 Å²	143	40.4 Å²	40.4	62%	0.622	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-31.1	176	-62.4	-179	-177.5	175.7	0	113	F277 K278 I342	F277-K280 PolarHBondContact O-N 3.04Å; K278-K280 VanDerWaalsContact C-N 3.27Å; K278-K280 PolarHBondContact O-N 3.39Å; K280-I342 HydrophobicContact CB-CD1 4.5Å
281	L	93.5	Very high	94.6	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.031	24%	0.238	C	C	.	.			trans	-147.7	145.9	179.8	173.9	143.6	0	0	0	109.4	K251 I253 F277 V283 I312 V338	K251-L281 HydrophobicContact CB-CB 4.4Å; K251-L281 HydrophobicContact CB-CD1 4.13Å; K251-L281 HydrophobicContact CB-CG 4.46Å; K251-L281 VanDerWaalsContact O-CA 3.24Å; K251-L281 WeakPolarHBondContact O-CA 3.49Å; K251-L281 WeakPolarHBondContact O-CG 3.49Å; I253-L281 HydrophobicContact CB-CD2 4.42Å; I253-L281 HydrophobicContact CD1-CD2 3.79Å; I253-L281 HydrophobicContact CG1-CD1 4.08Å; I253-L281 HydrophobicContact CG1-CD2 3.77Å; I253-L281 HydrophobicContact CG1-CG 4.44Å; F277-L281 HydrophobicContact CB-CB 4.14Å; F277-L281 PolarHBondContact O-N 2.88Å; L281-V283 HydrophobicContact CD2-CG2 3.92Å; L281-I312 HydrophobicContact CD1-CD1 4.35Å; L281-I312 HydrophobicContact CD1-CG1 4.45Å; L281-I312 HydrophobicContact CD1-CG2 4.43Å; L281-V338 HydrophobicContact CD1-CG1 3.81Å; L281-V338 HydrophobicContact CD1-CG2 4.42Å
282	H	92.7	Very high	94.3	Very high	16 Å²	16	52.6 Å²	52.6	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.5	175	-178.2	-133.6	0	0	0	110.7	V230 P231 S234 I249 K251 H252 I253	V230-H282 WeakPolarHBondContact CG1-NE2 3.46Å; P231-H282 PolarHBondContact O-NE2 2.8Å; S234-H282 PolarHBondContact OG-CE1 3.23Å; S234-H282 PolarHBondContact OG-NE2 3.38Å; I249-H282 HydrophobicContact CG2-CB 4.29Å; K251-H282 PolarHBondContact O-N 3.29Å; H252-H282 CarbonylContact C-O 3.59Å; H252-H282 WeakPolarHBondContact CA-O 3.18Å; H252-H282 AromaticContact ND1-ND1 3.83Å; I253-H282 PolarHBondContact N-O 3.15Å
283	V	96.6	Very high	94.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.3	178.6	-176.1	0	0	0	0	108.7	V233 S234 I253 L270 A274 L281	V233-V283 WeakPolarHBondContact CA-O 3.47Å; V233-V283 HydrophobicContact CG1-CG1 4.22Å; V233-V283 HydrophobicContact CG2-CB 4.16Å; V233-V283 HydrophobicContact CG2-CG1 4.14Å; S234-V283 PolarHBondContact N-O 2.73Å; I253-V283 HydrophobicContact CB-CB 4.47Å; I253-V283 HydrophobicContact CB-CG1 4.16Å; I253-V283 HydrophobicContact CB-CG2 4.16Å; I253-V283 HydrophobicContact CD1-CG2 3.93Å; I253-V283 HydrophobicContact CG1-CG2 4.47Å; I253-V283 HydrophobicContact CG2-CG1 4.18Å; L270-V283 HydrophobicContact CB-CG1 4.32Å; L270-V283 HydrophobicContact CD2-CG1 4.2Å; A274-V283 HydrophobicContact CB-CB 4.22Å; A274-V283 HydrophobicContact CB-CG2 3.61Å; L281-V283 HydrophobicContact CD2-CG2 3.92Å
284	I	96	Very high	93.9	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.036	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.9	171.6	68.2	175.9	0	0	0	110.1	S234 F236 V244 I253 V254 F255	S234-I284 CarbonylContact O-C 3.58Å; S234-I284 WeakPolarHBondContact O-CA 3.42Å; F236-I284 HydrophobicContact CB-CD1 4.47Å; F236-I284 HydrophobicContact CD2-CD1 4.07Å; V244-I284 HydrophobicContact CG1-CD1 4.17Å; V244-I284 HydrophobicContact CG2-CD1 4.44Å; V244-I284 HydrophobicContact CG2-CG2 3.79Å; I253-I284 WeakPolarHBondContact O-CG1 3.45Å; I253-I284 PolarHBondContact O-N 2.85Å; I253-I284 VanDerWaalsContact O-O 3.08Å; V254-I284 HydrophobicContact CB-CG1 4.26Å; V254-I284 HydrophobicContact CG1-CD1 4.25Å; V254-I284 HydrophobicContact CG1-CG1 4.17Å; V254-I284 HydrophobicContact CG2-CD1 3.91Å; V254-I284 HydrophobicContact CG2-CG1 3.97Å; F255-I284 PolarHBondContact N-O 3.09Å
285	Y	96.6	Very high	93.5	Very high	36 Å²	36	61.1 Å²	61.1	14%	0.141	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.6	168.8	78.6	-91.2	0	0	0	111.6	V233 S234 E235 F236 F255 L257 K259	V233-Y285 HydrophobicContact CG1-CD1 4.04Å; S234-Y285 PolarHBondContact O-N 3.48Å; E235-Y285 CarbonylContact C-O 3.54Å; E235-Y285 VanDerWaalsContact CA-CE1 3.48Å; E235-Y285 HydrophobicContact CB-CD1 4.32Å; E235-Y285 HydrophobicContact CB-CE1 3.58Å; E235-Y285 HydrophobicContact CB-CE2 4.04Å; E235-Y285 VanDerWaalsContact CB-CZ 3.43Å; E235-Y285 WeakPolarHBondContact CB-OH 3.34Å; E235-Y285 VanDerWaalsContact CD-OH 3.26Å; E235-Y285 HydrophobicContact CG-CD2 4.41Å; E235-Y285 HydrophobicContact CG-CE1 4.18Å; E235-Y285 HydrophobicContact CG-CE2 3.67Å; E235-Y285 PolarHBondContact OE2-OH 2.72Å; E235-Y285 VanDerWaalsContact OE2-OH 3.08Å; F236-Y285 WeakPolarHBondContact CB-O 3.48Å; F236-Y285 PolarHBondContact N-O 3.19Å; F255-Y285 CarbonylContact O-C 3.39Å; F255-Y285 WeakPolarHBondContact O-CA 3.44Å; L257-Y285 HydrophobicContact CD1-CD2 3.68Å; L257-Y285 HydrophobicContact CD1-CE2 4.05Å; L257-Y285 HydrophobicContact CD2-CD2 4.04Å; L257-Y285 HydrophobicContact CD2-CG 4.07Å; L257-Y285 HydrophobicContact CG-CD2 3.89Å; L257-Y285 HydrophobicContact CG-CG 4.36Å; K259-Y285 HydrophobicContact CD-CE2 4.17Å; K259-Y285 WeakPolarHBondContact CE-OH 3.45Å; K259-Y285 HydrophobicContact CG-CE2 4.33Å; K259-Y285 PolarHBondContact NZ-OH 2.75Å
286	V	97	Very high	93.5	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.9	179.4	179.5	0	0	0	0	107	F236 V254 F255 F256 L257 V288 N293 V296 L297	F236-V286 HydrophobicContact CB-CG2 3.87Å; F236-V286 HydrophobicContact CD1-CG2 4.37Å; F236-V286 HydrophobicContact CG-CG2 4.28Å; V254-V286 HydrophobicContact CG1-CG2 3.61Å; F255-V286 PolarHBondContact O-N 3.5Å; F256-V286 HydrophobicContact CD1-CB 3.85Å; F256-V286 HydrophobicContact CD1-CG1 4.09Å; F256-V286 HydrophobicContact CD1-CG2 4.38Å; F256-V286 HydrophobicContact CE1-CB 3.99Å; F256-V286 HydrophobicContact CE1-CG1 4.13Å; F256-V286 HydrophobicContact CE1-CG2 4.05Å; L257-V286 PolarHBondContact N-O 3.32Å; L257-V286 VanDerWaalsContact N-O 3.15Å; L257-V286 VanDerWaalsContact O-O 3.14Å; V286-V288 PolarHBondContact O-N 3.46Å; V286-N293 HydrophobicContact CG1-CB 3.58Å; V286-V296 HydrophobicContact CG1-CB 4.47Å; V286-V296 HydrophobicContact CG2-CG1 4.18Å; V286-L297 HydrophobicContact CG1-CD1 4.38Å
287	D	96.7	Very high	93.4	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.07	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	114.4	173	-175.3	8.7	0	0	0	110.1	L257 K259 D289 V290 N293	L257-D287 CarbonylContact O-C 3.41Å; L257-D287 VanDerWaalsContact O-CA 3.31Å; L257-D287 WeakPolarHBondContact O-CA 3.43Å; K259-D287 WeakPolarHBondContact CB-OD2 3.43Å; K259-D287 HydrophobicContact CD-CB 3.91Å; K259-D287 VanDerWaalsContact CD-OD2 3.29Å; K259-D287 WeakPolarHBondContact CD-OD2 3.28Å; K259-D287 HydrophobicContact CG-CB 4.01Å; K259-D287 WeakPolarHBondContact CG-OD2 3.48Å; K259-D287 PolarHBondContact N-OD1 2.77Å; D287-D289 PolarHBondContact O-N 2.96Å; D287-D289 WeakPolarHBondContact OD1-CB 3.41Å; D287-D289 PolarHBondContact OD1-N 2.95Å; D287-V290 HydrophobicContact CB-CG2 4.09Å; D287-V290 PolarHBondContact O-N 3.21Å; D287-N293 WeakPolarHBondContact O-CB 3.43Å; D287-N293 PolarHBondContact O-ND2 3.37Å
288	V	96.8	Very high	93.2	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.018	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.6	-178.5	-53.6	0	0	0	0	112.8	F256 L257 V286 L297 K304 A307	F256-V288 HydrophobicContact CB-CG1 3.95Å; F256-V288 HydrophobicContact CD1-CG1 4.49Å; L257-V288 PolarHBondContact O-N 3.29Å; V286-V288 PolarHBondContact O-N 3.46Å; V288-L297 HydrophobicContact CB-CD2 4.32Å; V288-L297 HydrophobicContact CG1-CD1 4.21Å; V288-L297 HydrophobicContact CG1-CD2 3.94Å; V288-L297 HydrophobicContact CG1-CG 4.47Å; V288-K304 HydrophobicContact CB-CG 4.4Å; V288-K304 WeakPolarHBondContact O-CD 2.96Å; V288-K304 WeakPolarHBondContact O-CE 3.42Å; V288-K304 PolarHBondContact O-NZ 2.78Å; V288-A307 HydrophobicContact CG1-CB 3.97Å; V288-A307 HydrophobicContact CG2-CB 4.05Å
289	D	95.6	Very high	93.3	Very high	69 Å²	69	58 Å²	58	37%	0.369	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-21.8	176.2	-64.7	-36.1	0	0	0	112.5	S258 K259 S260 D287 E291	S258-D289 WeakPolarHBondContact CB-OD2 3.15Å; S258-D289 VanDerWaalsContact OG-CG 3.29Å; S258-D289 PolarHBondContact OG-OD1 3.45Å; S258-D289 PolarHBondContact OG-OD2 3.09Å; K259-D289 PolarHBondContact N-OD2 3.25Å; S260-D289 WeakPolarHBondContact CB-OD2 3.43Å; S260-D289 PolarHBondContact N-OD2 2.95Å; S260-D289 VanDerWaalsContact N-OD2 3.12Å; S260-D289 PolarHBondContact OG-OD2 3.46Å; D287-D289 PolarHBondContact O-N 2.96Å; D287-D289 WeakPolarHBondContact OD1-CB 3.41Å; D287-D289 PolarHBondContact OD1-N 2.95Å; D289-E291 PolarHBondContact O-N 2.76Å
290	V	94.2	Very high	93.6	Very high	56 Å²	56	55.5 Å²	55.5	34%	0.339	26%	0.261	S	S	.	.	S	Bend	trans	-78.2	119.2	177.3	175.2	0	0	0	0	110.5	D287 N292 N293	D287-V290 HydrophobicContact CB-CG2 4.09Å; D287-V290 PolarHBondContact O-N 3.21Å; V290-N292 VanDerWaalsContact C-N 3.32Å; V290-N292 HydrophobicContact CG1-CB 4.21Å; V290-N292 PolarHBondContact O-N 2.84Å; V290-N293 HydrophobicContact CB-CB 4.34Å; V290-N293 WeakPolarHBondContact O-CB 3.26Å; V290-N293 PolarHBondContact O-N 3.36Å
291	E	92.4	Very high	93.6	Very high	155 Å²	155	50.7 Å²	50.7	72%	0.724	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-58	-40.3	-177.3	-172.9	174.9	-173	0	0	113.3	D289 N293 L294	D289-E291 PolarHBondContact O-N 2.76Å; E291-N293 PolarHBondContact O-N 2.79Å; E291-N293 VanDerWaalsContact O-N 3.09Å; E291-L294 HydrophobicContact CG-CD1 4.2Å; E291-L294 VanDerWaalsContact O-CB 3.3Å; E291-L294 WeakPolarHBondContact O-CB 3.46Å; E291-L294 VanDerWaalsContact O-CG 3.29Å; E291-L294 WeakPolarHBondContact O-CG 2.95Å; E291-L294 PolarHBondContact O-N 3.23Å
292	N	89.9	Confident	93.6	Very high	124 Å²	124	51.1 Å²	51.1	66%	0.663	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-61.9	-19.7	177.6	-72.1	-19.1	0	0	0	113.4	V290	V290-N292 VanDerWaalsContact C-N 3.32Å; V290-N292 HydrophobicContact CG1-CB 4.21Å; V290-N292 PolarHBondContact O-N 2.84Å
293	N	93.9	Very high	93.7	Very high	13 Å²	13	52.7 Å²	52.7	7%	0.07	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-82.9	-12.6	178	-70.9	-12.4	0	0	0	112.9	V286 D287 V290 E291 R295 V296 L297	V286-N293 HydrophobicContact CG1-CB 3.58Å; D287-N293 WeakPolarHBondContact O-CB 3.43Å; D287-N293 PolarHBondContact O-ND2 3.37Å; V290-N293 HydrophobicContact CB-CB 4.34Å; V290-N293 WeakPolarHBondContact O-CB 3.26Å; V290-N293 PolarHBondContact O-N 3.36Å; E291-N293 PolarHBondContact O-N 2.79Å; E291-N293 VanDerWaalsContact O-N 3.09Å; N293-R295 PolarHBondContact O-N 3.4Å; N293-V296 WeakPolarHBondContact O-CA 3.13Å; N293-V296 VanDerWaalsContact O-CB 3.27Å; N293-V296 WeakPolarHBondContact O-CB 3.43Å; N293-V296 PolarHBondContact O-N 3.27Å; N293-L297 WeakPolarHBondContact O-CD1 3.37Å; N293-L297 PolarHBondContact O-N 2.95Å
294	L	91.4	Very high	93.6	Very high	59 Å²	59	56.9 Å²	56.9	31%	0.309	29%	0.285	S	S	.	.	H	α-helix	trans	-55.7	-39	-179	-72	-179.8	0	0	0	113.1	E291 V296 L297 E298 K304	E291-L294 HydrophobicContact CG-CD1 4.2Å; E291-L294 VanDerWaalsContact O-CB 3.3Å; E291-L294 WeakPolarHBondContact O-CB 3.46Å; E291-L294 VanDerWaalsContact O-CG 3.29Å; E291-L294 WeakPolarHBondContact O-CG 2.95Å; E291-L294 PolarHBondContact O-N 3.23Å; L294-V296 PolarHBondContact O-N 3.18Å; L294-L297 WeakPolarHBondContact O-CB 3.41Å; L294-L297 PolarHBondContact O-N 2.92Å; L294-L297 VanDerWaalsContact O-N 3.09Å; L294-E298 WeakPolarHBondContact O-CG 3.48Å; L294-E298 PolarHBondContact O-N 3.2Å; L294-K304 HydrophobicContact CD2-CD 4.37Å; L294-K304 VanDerWaalsContact CD2-CE 3.45Å; L294-K304 HydrophobicContact CD2-CG 4.03Å
295	R	89.3	Confident	93.5	Very high	204 Å²	204	64 Å²	64	77%	0.77	32%	0.323	S	S	*	.	H	α-helix	trans	-62.9	-29.9	176	-173.3	175.6	178.3	-173.8	-1.1	112.8	N293 F299	N293-R295 PolarHBondContact O-N 3.4Å; R295-F299 WeakPolarHBondContact O-CB 3.24Å; R295-F299 PolarHBondContact O-N 3.34Å
296	V	93.1	Very high	93.4	Very high	30 Å²	30	65.8 Å²	65.8	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-69.4	-44.5	174	-171.9	0	0	0	0	109.3	F236 F256 V286 N293 L294 E298 F299 F300	F236-V296 HydrophobicContact CD1-CG2 4.38Å; F236-V296 HydrophobicContact CE1-CG2 3.84Å; F256-V296 HydrophobicContact CE1-CG1 4.01Å; F256-V296 HydrophobicContact CZ-CG1 4.26Å; V286-V296 HydrophobicContact CG1-CB 4.47Å; V286-V296 HydrophobicContact CG2-CG1 4.18Å; N293-V296 WeakPolarHBondContact O-CA 3.13Å; N293-V296 VanDerWaalsContact O-CB 3.27Å; N293-V296 WeakPolarHBondContact O-CB 3.43Å; N293-V296 PolarHBondContact O-N 3.27Å; L294-V296 PolarHBondContact O-N 3.18Å; V296-E298 PolarHBondContact O-N 3.31Å; V296-F299 WeakPolarHBondContact O-CB 3.27Å; V296-F299 PolarHBondContact O-N 3.04Å; V296-F300 HydrophobicContact CG1-CD2 4.15Å; V296-F300 HydrophobicContact CG1-CE2 4.01Å; V296-F300 VanDerWaalsContact O-CD2 3.28Å; V296-F300 WeakPolarHBondContact O-CD2 3.25Å; V296-F300 PolarHBondContact O-N 2.81Å
297	L	94.6	Very high	93.3	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-58.5	-48.1	175.3	-76	83.8	0	0	0	111.3	F256 V286 V288 N293 L294 F299 F300 G301 L302 S303 K304	F256-L297 HydrophobicContact CD1-CD1 3.95Å; F256-L297 HydrophobicContact CD1-CG 3.73Å; F256-L297 HydrophobicContact CE1-CD1 4.18Å; F256-L297 HydrophobicContact CE1-CG 3.99Å; V286-L297 HydrophobicContact CG1-CD1 4.38Å; V288-L297 HydrophobicContact CB-CD2 4.32Å; V288-L297 HydrophobicContact CG1-CD1 4.21Å; V288-L297 HydrophobicContact CG1-CD2 3.94Å; V288-L297 HydrophobicContact CG1-CG 4.47Å; N293-L297 WeakPolarHBondContact O-CD1 3.37Å; N293-L297 PolarHBondContact O-N 2.95Å; L294-L297 WeakPolarHBondContact O-CB 3.41Å; L294-L297 PolarHBondContact O-N 2.92Å; L294-L297 VanDerWaalsContact O-N 3.09Å; L297-F299 VanDerWaalsContact C-N 3.28Å; L297-F299 PolarHBondContact O-N 2.86Å; L297-F300 CarbonylContact O-C 3.56Å; L297-F300 WeakPolarHBondContact O-CA 3.47Å; L297-F300 PolarHBondContact O-N 3.07Å; L297-G301 PolarHBondContact O-N 2.95Å; L297-G301 VanDerWaalsContact O-N 3.13Å; L297-L302 CarbonylContact C-O 3.49Å; L297-L302 HydrophobicContact CB-CB 4.1Å; L297-L302 WeakPolarHBondContact CB-O 3.41Å; L297-L302 HydrophobicContact CG-CB 4.44Å; L297-L302 WeakPolarHBondContact O-CB 3.3Å; L297-L302 PolarHBondContact O-N 3.43Å; L297-S303 WeakPolarHBondContact CD2-O 3.35Å; L297-K304 HydrophobicContact CD2-CG 4.48Å
298	E	90.8	Very high	93.3	Very high	131 Å²	131	68.8 Å²	68.8	61%	0.612	36%	0.358	S	S	*	.	H	α-helix	trans	-55.7	-43.2	176.5	-71.3	172.3	178.6	0	0	111.8	L294 V296 F300 G301 M351	L294-E298 WeakPolarHBondContact O-CG 3.48Å; L294-E298 PolarHBondContact O-N 3.2Å; V296-E298 PolarHBondContact O-N 3.31Å; E298-F300 PolarHBondContact O-N 3.01Å; E298-G301 PolarHBondContact O-N 3.18Å; E298-M351 WeakPolarHBondContact O-CE 3.47Å
299	F	90.5	Very high	93.3	Very high	93 Å²	93	69 Å²	69	41%	0.408	36%	0.359	S	S	.	.	H	α-helix	trans	-59.9	-28.6	176.7	179.6	-103.7	0	0	0	113.2	R295 V296 L297 I313 T319 K321	R295-F299 WeakPolarHBondContact O-CB 3.24Å; R295-F299 PolarHBondContact O-N 3.34Å; V296-F299 WeakPolarHBondContact O-CB 3.27Å; V296-F299 PolarHBondContact O-N 3.04Å; L297-F299 VanDerWaalsContact C-N 3.28Å; L297-F299 PolarHBondContact O-N 2.86Å; F299-I313 HydrophobicContact CE1-CD1 3.83Å; F299-T319 HydrophobicContact CE1-CG2 4.24Å; F299-T319 HydrophobicContact CZ-CG2 3.87Å; F299-K321 VanDerWaalsContact CE1-CE 3.43Å; F299-K321 VanDerWaalsContact CZ-CE 3.44Å; F299-K321 WeakPolarHBondContact O-CE 3.35Å; F299-K321 PolarHBondContact O-NZ 3.45Å
300	F	93.4	Very high	93.4	Very high	6 Å²	6	65.8 Å²	65.8	3%	0.026	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	5.1	174.9	-74.7	-84.8	0	0	0	113.8	V254 F256 V296 L297 E298 L302 R311 I313 K321	V254-F300 HydrophobicContact CB-CE2 4.38Å; V254-F300 HydrophobicContact CB-CZ 4.04Å; V254-F300 HydrophobicContact CG1-CE2 4.16Å; V254-F300 HydrophobicContact CG1-CZ 4.32Å; V254-F300 HydrophobicContact CG2-CE1 4.47Å; V254-F300 HydrophobicContact CG2-CE2 4.3Å; V254-F300 HydrophobicContact CG2-CZ 3.71Å; F256-F300 HydrophobicContact CE1-CD2 4.35Å; F256-F300 HydrophobicContact CE2-CB 4.39Å; F256-F300 HydrophobicContact CE2-CD2 4.14Å; F256-F300 HydrophobicContact CE2-CG 4.18Å; F256-F300 HydrophobicContact CZ-CB 4.15Å; F256-F300 AromaticContact CZ-CD2 3.41Å; F256-F300 HydrophobicContact CZ-CD2 3.41Å; F256-F300 VanDerWaalsContact CZ-CD2 3.41Å; F256-F300 AromaticContact CZ-CE2 3.88Å; F256-F300 HydrophobicContact CZ-CE2 3.88Å; F256-F300 AromaticContact CZ-CG 3.86Å; F256-F300 HydrophobicContact CZ-CG 3.86Å; V296-F300 HydrophobicContact CG1-CD2 4.15Å; V296-F300 HydrophobicContact CG1-CE2 4.01Å; V296-F300 VanDerWaalsContact O-CD2 3.28Å; V296-F300 WeakPolarHBondContact O-CD2 3.25Å; V296-F300 PolarHBondContact O-N 2.81Å; L297-F300 CarbonylContact O-C 3.56Å; L297-F300 WeakPolarHBondContact O-CA 3.47Å; L297-F300 PolarHBondContact O-N 3.07Å; E298-F300 PolarHBondContact O-N 3.01Å; F300-L302 VanDerWaalsContact C-N 3.32Å; F300-L302 HydrophobicContact CB-CD1 3.91Å; F300-L302 HydrophobicContact CB-CG 4.05Å; F300-R311 HydrophobicContact CB-CG 4.45Å; F300-R311 HydrophobicContact CD1-CB 3.69Å; F300-R311 HydrophobicContact CD1-CG 3.69Å; F300-R311 HydrophobicContact CE1-CB 3.78Å; F300-R311 HydrophobicContact CE1-CG 4.31Å; F300-R311 HydrophobicContact CG-CG 4.37Å; F300-I313 HydrophobicContact CE1-CB 4.04Å; F300-I313 HydrophobicContact CE1-CD1 4.15Å; F300-I313 HydrophobicContact CZ-CB 3.99Å; F300-I313 HydrophobicContact CZ-CD1 3.65Å; F300-I313 HydrophobicContact CZ-CG1 4.36Å; F300-I313 HydrophobicContact CZ-CG2 4.34Å; F300-K321 HydrophobicContact CD1-CD 4.23Å; F300-K321 HydrophobicContact CD1-CG 4.24Å; F300-K321 HydrophobicContact CE1-CG 4.17Å
301	G	90.6	Very high	93.6	Very high	42 Å²	42	63.6 Å²	63.6	43%	0.433	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	37.1	-175.4	0	0	0	0	0	112.5	L297 E298 M351	L297-G301 PolarHBondContact O-N 2.95Å; L297-G301 VanDerWaalsContact O-N 3.13Å; E298-G301 PolarHBondContact O-N 3.18Å; G301-M351 PolarHBondContact N-SD 2.91Å
302	L	94.4	Very high	93.8	Very high	15 Å²	15	56.2 Å²	56.2	8%	0.079	29%	0.293	C	S	.	.			trans	-116.8	159.2	-177.7	-65.7	176.9	0	0	0	111.2	F256 L297 F300 D306 T309	F256-L302 HydrophobicContact CD1-CD1 4.37Å; F256-L302 HydrophobicContact CD2-CD1 3.39Å; F256-L302 HydrophobicContact CE1-CD1 4.43Å; F256-L302 HydrophobicContact CE2-CD1 3.48Å; F256-L302 VanDerWaalsContact CE2-CD1 3.48Å; F256-L302 HydrophobicContact CG-CD1 3.88Å; F256-L302 HydrophobicContact CZ-CD1 4.02Å; L297-L302 CarbonylContact C-O 3.49Å; L297-L302 HydrophobicContact CB-CB 4.1Å; L297-L302 WeakPolarHBondContact CB-O 3.41Å; L297-L302 HydrophobicContact CG-CB 4.44Å; L297-L302 WeakPolarHBondContact O-CB 3.3Å; L297-L302 PolarHBondContact O-N 3.43Å; F300-L302 VanDerWaalsContact C-N 3.32Å; F300-L302 HydrophobicContact CB-CD1 3.91Å; F300-L302 HydrophobicContact CB-CG 4.05Å; L302-D306 HydrophobicContact CD2-CB 3.73Å; L302-T309 HydrophobicContact CD1-CG2 3.78Å; L302-T309 HydrophobicContact CD2-CG2 4Å
303	S	93.5	Very high	94.2	Very high	49 Å²	49	51 Å²	51	34%	0.343	26%	0.264	S	S	.	.			trans	-125.1	169.5	168.6	74.6	0	0	0	0	109.8	L297 N305 D306	L297-S303 WeakPolarHBondContact CD2-O 3.35Å; S303-N305 PolarHBondContact O-N 3.05Å; S303-N305 VanDerWaalsContact O-N 3.12Å; S303-N305 PolarHBondContact OG-N 3.12Å; S303-D306 WeakPolarHBondContact CA-OD2 3.42Å; S303-D306 WeakPolarHBondContact CB-OD2 3.25Å; S303-D306 PolarHBondContact N-OD2 3.41Å; S303-D306 WeakPolarHBondContact O-CB 3.47Å; S303-D306 PolarHBondContact O-N 3.27Å; S303-D306 PolarHBondContact OG-OD2 2.58Å
304	K	94.2	Very high	94.2	Very high	87 Å²	87	52.3 Å²	52.3	38%	0.378	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-56.5	-29.8	175.4	-62.3	-164.6	-178	-149.4	0	112.8	V288 L294 L297 D306 A307	V288-K304 HydrophobicContact CB-CG 4.4Å; V288-K304 WeakPolarHBondContact O-CD 2.96Å; V288-K304 WeakPolarHBondContact O-CE 3.42Å; V288-K304 PolarHBondContact O-NZ 2.78Å; L294-K304 HydrophobicContact CD2-CD 4.37Å; L294-K304 VanDerWaalsContact CD2-CE 3.45Å; L294-K304 HydrophobicContact CD2-CG 4.03Å; L297-K304 HydrophobicContact CD2-CG 4.48Å; K304-D306 PolarHBondContact O-N 2.82Å; K304-A307 WeakPolarHBondContact O-CB 3.35Å; K304-A307 PolarHBondContact O-N 2.84Å
305	N	94.1	Very high	94.2	Very high	156 Å²	156	51.1 Å²	51.1	83%	0.834	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-71	-15.5	-179	-63.1	-31.1	0	0	0	113.1	S303 A307	S303-N305 PolarHBondContact O-N 3.05Å; S303-N305 VanDerWaalsContact O-N 3.12Å; S303-N305 PolarHBondContact OG-N 3.12Å; N305-A307 VanDerWaalsContact C-N 3.31Å
306	D	94.9	Very high	94	Very high	75 Å²	75	43 Å²	43	40%	0.401	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-82.2	-12.3	176.6	-60.5	-78.3	0	0	0	112.3	L302 S303 K304 P308 T309	L302-D306 HydrophobicContact CD2-CB 3.73Å; S303-D306 WeakPolarHBondContact CA-OD2 3.42Å; S303-D306 WeakPolarHBondContact CB-OD2 3.25Å; S303-D306 PolarHBondContact N-OD2 3.41Å; S303-D306 WeakPolarHBondContact O-CB 3.47Å; S303-D306 PolarHBondContact O-N 3.27Å; S303-D306 PolarHBondContact OG-OD2 2.58Å; K304-D306 PolarHBondContact O-N 2.82Å; D306-P308 CarbonylContact O-C 3.52Å; D306-T309 HydrophobicContact CB-CG2 4.15Å; D306-T309 VanDerWaalsContact O-CB 3.22Å; D306-T309 WeakPolarHBondContact O-CB 3.36Å; D306-T309 VanDerWaalsContact O-CG2 3.28Å; D306-T309 WeakPolarHBondContact O-CG2 3.36Å
307	A	95.4	Very high	93.3	Very high	28 Å²	28	51.5 Å²	51.5	23%	0.231	28%	0.282	C	S	.	.			trans	-77	143	178.5	0	0	0	0	0	112.1	V288 K304 N305	V288-A307 HydrophobicContact CG1-CB 3.97Å; V288-A307 HydrophobicContact CG2-CB 4.05Å; K304-A307 WeakPolarHBondContact O-CB 3.35Å; K304-A307 PolarHBondContact O-N 2.84Å; N305-A307 VanDerWaalsContact C-N 3.31Å
308	P	96.1	Very high	92.7	Very high	48 Å²	48	56.3 Å²	56.3	31%	0.312	30%	0.304	S	S	.	.	S	Bend	cis	-74.5	138.8	-4.7	30	-33.3	0	0	0	111.8	F255 F256 L266 D306 Y329	F255-P308 HydrophobicContact CE1-CB 3.87Å; F255-P308 HydrophobicContact CZ-CB 4.44Å; F256-P308 VanDerWaalsContact O-CA 3.27Å; F256-P308 WeakPolarHBondContact O-CA 3.11Å; L266-P308 HydrophobicContact CD2-CB 4.31Å; D306-P308 CarbonylContact O-C 3.52Å; P308-Y329 HydrophobicContact CG-CE2 4.18Å; P308-Y329 PolarHBondContact O-OH 2.75Å
309	T	97.1	Very high	92.6	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	170	172.1	-168.1	0	0	0	0	110.1	F255 F256 L302 D306 R311	F255-T309 WeakPolarHBondContact CD1-O 3.45Å; F256-T309 HydrophobicContact CB-CG2 4.27Å; F256-T309 HydrophobicContact CD2-CG2 4.34Å; F256-T309 PolarHBondContact N-O 2.99Å; F256-T309 PolarHBondContact O-N 3.08Å; F256-T309 VanDerWaalsContact O-N 3.12Å; L302-T309 HydrophobicContact CD1-CG2 3.78Å; L302-T309 HydrophobicContact CD2-CG2 4Å; D306-T309 HydrophobicContact CB-CG2 4.15Å; D306-T309 VanDerWaalsContact O-CB 3.22Å; D306-T309 WeakPolarHBondContact O-CB 3.36Å; D306-T309 VanDerWaalsContact O-CG2 3.28Å; D306-T309 WeakPolarHBondContact O-CG2 3.36Å; T309-R311 PolarHBondContact OG1-NH1 3.41Å; T309-R311 VanDerWaalsContact OG1-NH1 3.13Å
310	Y	97.8	Very high	92.7	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.008	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	161.4	176.2	71.8	-77.8	0	0	0	113.2	I253 V254 F255 P324 Y329 M334 F337	I253-Y310 HydrophobicContact CG2-CD2 3.91Å; I253-Y310 HydrophobicContact CG2-CG 4.4Å; V254-Y310 CarbonylContact O-C 3.58Å; V254-Y310 VanDerWaalsContact O-CA 3.25Å; V254-Y310 WeakPolarHBondContact O-CA 3.49Å; V254-Y310 WeakPolarHBondContact O-CB 3.34Å; F255-Y310 HydrophobicContact CD2-CD1 4.2Å; F255-Y310 AromaticContact CD2-CG 3.94Å; F255-Y310 HydrophobicContact CD2-CG 3.94Å; F255-Y310 AromaticContact CE2-CD1 3.67Å; F255-Y310 HydrophobicContact CE2-CD1 3.67Å; F255-Y310 AromaticContact CE2-CG 3.91Å; F255-Y310 HydrophobicContact CE2-CG 3.91Å; F255-Y310 HydrophobicContact CZ-CD1 4.33Å; Y310-P324 HydrophobicContact CD1-CG 4.29Å; Y310-P324 HydrophobicContact CE1-CB 4.17Å; Y310-P324 HydrophobicContact CE1-CG 3.87Å; Y310-P324 HydrophobicContact CE2-CB 4.31Å; Y310-P324 HydrophobicContact CE2-CG 4.25Å; Y310-P324 WeakPolarHBondContact O-CD 3.33Å; Y310-Y329 HydrophobicContact CD1-CD1 4.02Å; Y310-Y329 AromaticContact CD1-CE1 3.8Å; Y310-Y329 HydrophobicContact CD1-CE1 3.8Å; Y310-Y329 AromaticContact CE1-CD1 3.91Å; Y310-Y329 HydrophobicContact CE1-CD1 3.91Å; Y310-Y329 AromaticContact CE1-CE1 3.91Å; Y310-Y329 HydrophobicContact CE1-CE1 3.91Å; Y310-M334 HydrophobicContact CE1-CG 4.14Å; Y310-M334 HydrophobicContact CE1-SD 4.47Å; Y310-F337 HydrophobicContact CD2-CE1 4.44Å; Y310-F337 AromaticContact CE2-CD1 3.54Å; Y310-F337 HydrophobicContact CE2-CD1 3.54Å; Y310-F337 AromaticContact CE2-CE1 3.77Å; Y310-F337 HydrophobicContact CE2-CE1 3.77Å
311	R	97.8	Very high	92.9	Very high	10 Å²	10	50.8 Å²	50.8	4%	0.038	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.3	172.2	-63	-65.1	-178.3	-83.2	-2.8	108.8	I253 V254 F300 T309 Y322	I253-R311 CarbonylContact C-O 3.6Å; I253-R311 WeakPolarHBondContact CA-O 3.3Å; V254-R311 PolarHBondContact N-O 3.04Å; V254-R311 PolarHBondContact O-N 3.02Å; F300-R311 HydrophobicContact CB-CG 4.45Å; F300-R311 HydrophobicContact CD1-CB 3.69Å; F300-R311 HydrophobicContact CD1-CG 3.69Å; F300-R311 HydrophobicContact CE1-CB 3.78Å; F300-R311 HydrophobicContact CE1-CG 4.31Å; F300-R311 HydrophobicContact CG-CG 4.37Å; T309-R311 PolarHBondContact OG1-NH1 3.41Å; T309-R311 VanDerWaalsContact OG1-NH1 3.13Å; R311-Y322 WeakPolarHBondContact CA-O 3.3Å; R311-Y322 WeakPolarHBondContact CD-O 3.5Å
312	I	98.1	Very high	93.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.1	159	-68.4	167.5	0	0	0	107.6	H252 I253 L281 K321 Y322 F337 V338 T341	H252-I312 CarbonylContact O-C 3.55Å; H252-I312 VanDerWaalsContact O-CA 3.27Å; H252-I312 WeakPolarHBondContact O-CA 3.29Å; I253-I312 HydrophobicContact CG1-CD1 4.39Å; I253-I312 HydrophobicContact CG1-CG1 3.81Å; L281-I312 HydrophobicContact CD1-CD1 4.35Å; L281-I312 HydrophobicContact CD1-CG1 4.45Å; L281-I312 HydrophobicContact CD1-CG2 4.43Å; I312-K321 CarbonylContact O-C 3.54Å; I312-K321 WeakPolarHBondContact O-CA 3.27Å; I312-Y322 HydrophobicContact CB-CD2 4.32Å; I312-Y322 HydrophobicContact CG2-CD2 4.1Å; I312-Y322 PolarHBondContact N-O 3.43Å; I312-Y322 PolarHBondContact O-N 3.39Å; I312-F337 HydrophobicContact CB-CE1 4.3Å; I312-F337 HydrophobicContact CD1-CD1 3.64Å; I312-F337 HydrophobicContact CD1-CE1 3.48Å; I312-F337 VanDerWaalsContact CD1-CE1 3.48Å; I312-F337 HydrophobicContact CD1-CZ 4.26Å; I312-F337 HydrophobicContact CG1-CD1 4.27Å; I312-F337 HydrophobicContact CG1-CE1 3.72Å; I312-V338 HydrophobicContact CD1-CB 4.3Å; I312-V338 HydrophobicContact CD1-CG2 3.83Å; I312-T341 HydrophobicContact CB-CG2 4.31Å; I312-T341 HydrophobicContact CD1-CG2 4.14Å; I312-T341 HydrophobicContact CG2-CG2 3.81Å
313	I	96.7	Very high	93.3	Very high	13 Å²	13	53.6 Å²	53.6	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.5	170.7	-171.6	167.8	0	0	0	109	K251 H252 V254 F299 F300 L315 T319 T320	K251-I313 CarbonylContact C-O 3.57Å; K251-I313 WeakPolarHBondContact CA-O 3.31Å; H252-I313 HydrophobicContact CB-CG2 3.81Å; H252-I313 PolarHBondContact N-O 2.99Å; H252-I313 PolarHBondContact O-N 3.48Å; V254-I313 HydrophobicContact CG2-CB 4.41Å; V254-I313 HydrophobicContact CG2-CG2 3.57Å; F299-I313 HydrophobicContact CE1-CD1 3.83Å; F300-I313 HydrophobicContact CE1-CB 4.04Å; F300-I313 HydrophobicContact CE1-CD1 4.15Å; F300-I313 HydrophobicContact CZ-CB 3.99Å; F300-I313 HydrophobicContact CZ-CD1 3.65Å; F300-I313 HydrophobicContact CZ-CG1 4.36Å; F300-I313 HydrophobicContact CZ-CG2 4.34Å; I313-L315 HydrophobicContact CD1-CD2 3.68Å; I313-L315 HydrophobicContact CG1-CD2 3.86Å; I313-T319 HydrophobicContact CD1-CG2 3.49Å; I313-T319 VanDerWaalsContact CD1-CG2 3.49Å; I313-T319 HydrophobicContact CG1-CG2 3.64Å; I313-T320 CarbonylContact C-O 3.58Å; I313-T320 WeakPolarHBondContact CA-O 3.46Å
314	E	95.3	Very high	93.4	Very high	41 Å²	41	51.8 Å²	51.8	19%	0.192	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115	168.9	-179.3	157.8	-162.6	0	0	108.8	Q250 K251 G316 T319 T320 Y322	Q250-E314 CarbonylContact O-C 3.55Å; Q250-E314 WeakPolarHBondContact O-CA 3.48Å; K251-E314 WeakPolarHBondContact CE-OE2 3.47Å; K251-E314 HydrophobicContact CG-CB 4.25Å; K251-E314 HydrophobicContact CG-CG 4.16Å; K251-E314 IonicContact NZ-OE1 3.44Å; K251-E314 PolarHBondContact NZ-OE1 3.04Å; K251-E314 IonicContact NZ-OE2 2.82Å; K251-E314 PolarHBondContact NZ-OE2 3.32Å; E314-G316 PolarHBondContact O-N 2.97Å; E314-T319 WeakPolarHBondContact O-CA 3.43Å; E314-T320 PolarHBondContact N-O 2.65Å; E314-T320 PolarHBondContact O-N 3.45Å; E314-Y322 HydrophobicContact CB-CE2 4.29Å
315	L	91.4	Very high	93.3	Very high	34 Å²	34	53.1 Å²	53.1	18%	0.178	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	85.3	178.8	-57.8	179.4	0	0	0	108.9	V244 F245 Q250 I313 T319	V244-L315 HydrophobicContact CG1-CD1 4.42Å; F245-L315 HydrophobicContact CD1-CD1 3.93Å; F245-L315 HydrophobicContact CE1-CD1 4.29Å; F245-L315 HydrophobicContact CE1-CD2 4.46Å; Q250-L315 WeakPolarHBondContact CB-O 3.28Å; Q250-L315 VanDerWaalsContact CG-O 3.22Å; Q250-L315 WeakPolarHBondContact CG-O 3.37Å; Q250-L315 PolarHBondContact O-N 3.49Å; I313-L315 HydrophobicContact CD1-CD2 3.68Å; I313-L315 HydrophobicContact CG1-CD2 3.86Å; L315-T319 HydrophobicContact CD2-CG2 4.34Å
316	G	83.7	Confident	93.2	Very high	34 Å²	34	49.4 Å²	49.4	35%	0.351	27%	0.267	S	S	.	.	S	Bend	trans	-114.3	-156.6	173.5	0	0	0	0	0	112.2	E314 E318	E314-G316 PolarHBondContact O-N 2.97Å; G316-E318 PolarHBondContact N-O 2.67Å; G316-E318 PolarHBondContact O-N 2.55Å
317	E	78.9	Confident	93	Very high	209 Å²	209	51.6 Å²	51.6	98%	0.977	28%	0.279	S	S	*	.	S	Bend	trans	-53.3	-37.6	165.6	-66.9	-175.9	173.1	0	0	110.9
318	E	81.4	Confident	93	Very high	102 Å²	102	53.9 Å²	53.9	48%	0.477	29%	0.288	S	S	.	.	S	Bend	trans	-116	135.3	169.5	-79.1	167.1	-142.6	0	0	110.6	G316 T320 K429	G316-E318 PolarHBondContact N-O 2.67Å; G316-E318 PolarHBondContact O-N 2.55Å; E318-T320 PolarHBondContact O-N 3.07Å; E318-K429 WeakPolarHBondContact OE1-CE 3.42Å; E318-K429 IonicContact OE1-NZ 3.86Å; E318-K429 PolarHBondContact OE1-NZ 2.56Å; E318-K429 WeakPolarHBondContact OE2-CE 3.45Å; E318-K429 IonicContact OE2-NZ 2.62Å
319	T	89.4	Confident	93	Very high	72 Å²	72	53.9 Å²	53.9	44%	0.442	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	116.5	174	-60.2	0	0	0	0	109.6	F299 I313 E314 L315	F299-T319 HydrophobicContact CE1-CG2 4.24Å; F299-T319 HydrophobicContact CZ-CG2 3.87Å; I313-T319 HydrophobicContact CD1-CG2 3.49Å; I313-T319 VanDerWaalsContact CD1-CG2 3.49Å; I313-T319 HydrophobicContact CG1-CG2 3.64Å; E314-T319 WeakPolarHBondContact O-CA 3.43Å; L315-T319 HydrophobicContact CD2-CG2 4.34Å
320	T	93.6	Very high	93	Very high	35 Å²	35	55.5 Å²	55.5	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.7	178.3	-54.3	0	0	0	0	110.4	I313 E314 E318 Y322 P348	I313-T320 CarbonylContact C-O 3.58Å; I313-T320 WeakPolarHBondContact CA-O 3.46Å; E314-T320 PolarHBondContact N-O 2.65Å; E314-T320 PolarHBondContact O-N 3.45Å; E318-T320 PolarHBondContact O-N 3.07Å; T320-Y322 HydrophobicContact CG2-CE1 4.08Å; T320-Y322 HydrophobicContact CG2-CE2 3.76Å; T320-Y322 WeakPolarHBondContact CG2-OH 3.49Å; T320-P348 HydrophobicContact CG2-CB 3.82Å; T320-P348 HydrophobicContact CG2-CG 3.84Å
321	K	95.9	Very high	93	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.035	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.8	179.3	-58.7	164.4	-165.6	159.7	0	109.2	F299 F300 I312 P348 F349 E424	F299-K321 VanDerWaalsContact CE1-CE 3.43Å; F299-K321 VanDerWaalsContact CZ-CE 3.44Å; F299-K321 WeakPolarHBondContact O-CE 3.35Å; F299-K321 PolarHBondContact O-NZ 3.45Å; F300-K321 HydrophobicContact CD1-CD 4.23Å; F300-K321 HydrophobicContact CD1-CG 4.24Å; F300-K321 HydrophobicContact CE1-CG 4.17Å; I312-K321 CarbonylContact O-C 3.54Å; I312-K321 WeakPolarHBondContact O-CA 3.27Å; K321-P348 CarbonylContact O-C 3.6Å; K321-P348 WeakPolarHBondContact O-CA 3.47Å; K321-F349 PolarHBondContact O-N 3.33Å; K321-E424 IonicContact NZ-OE1 2.76Å; K321-E424 PolarHBondContact NZ-OE1 2.76Å; K321-E424 IonicContact NZ-OE2 3.62Å
322	Y	97.6	Very high	93	Very high	22 Å²	22	60.7 Å²	60.7	9%	0.086	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136	175.3	-56.7	-85.5	0	0	0	109.6	R311 I312 E314 T320 T341 V346 P348	R311-Y322 WeakPolarHBondContact CA-O 3.3Å; R311-Y322 WeakPolarHBondContact CD-O 3.5Å; I312-Y322 HydrophobicContact CB-CD2 4.32Å; I312-Y322 HydrophobicContact CG2-CD2 4.1Å; I312-Y322 PolarHBondContact N-O 3.43Å; I312-Y322 PolarHBondContact O-N 3.39Å; E314-Y322 HydrophobicContact CB-CE2 4.29Å; T320-Y322 HydrophobicContact CG2-CE1 4.08Å; T320-Y322 HydrophobicContact CG2-CE2 3.76Å; T320-Y322 WeakPolarHBondContact CG2-OH 3.49Å; Y322-T341 HydrophobicContact CD1-CG2 4.19Å; Y322-T341 HydrophobicContact CD2-CG2 3.5Å; Y322-T341 VanDerWaalsContact CD2-CG2 3.5Å; Y322-T341 HydrophobicContact CE1-CG2 4.38Å; Y322-T341 HydrophobicContact CE2-CG2 3.72Å; Y322-T341 HydrophobicContact CG-CG2 3.74Å; Y322-V346 HydrophobicContact CD1-CB 3.97Å; Y322-V346 HydrophobicContact CD1-CG1 3.79Å; Y322-V346 VanDerWaalsContact CE1-O 3.3Å; Y322-V346 WeakPolarHBondContact CE1-O 3.48Å; Y322-V346 HydrophobicContact CG-CG1 4.42Å; Y322-P348 HydrophobicContact CE1-CG 4.4Å
323	K	96.8	Very high	93	Very high	94 Å²	94	61.7 Å²	61.7	41%	0.409	34%	0.338	S	S	.	.			trans	-109.8	132.6	179.9	179.5	177.6	176.7	-178.9	0	109.7	F337 F349	K323-F337 VanDerWaalsContact C-CZ 3.41Å; K323-F337 WeakPolarHBondContact O-CE2 3.21Å; K323-F349 HydrophobicContact CB-CB 3.86Å; K323-F349 HydrophobicContact CB-CD1 4.5Å; K323-F349 HydrophobicContact CB-CD2 3.82Å; K323-F349 HydrophobicContact CB-CG 3.79Å; K323-F349 HydrophobicContact CD-CD2 3.84Å; K323-F349 HydrophobicContact CD-CE2 3.77Å; K323-F349 HydrophobicContact CD-CG 4.48Å; K323-F349 HydrophobicContact CD-CZ 4.34Å; K323-F349 HydrophobicContact CG-CD2 4.47Å
324	P	96.4	Very high	93.1	Very high	10 Å²	10	61 Å²	61	7%	0.065	34%	0.335	C	S	.	.			trans	-64.4	147.1	174.8	27.8	-35.2	0	0	0	111.6	Y310 T326 F337	Y310-P324 HydrophobicContact CD1-CG 4.29Å; Y310-P324 HydrophobicContact CE1-CB 4.17Å; Y310-P324 HydrophobicContact CE1-CG 3.87Å; Y310-P324 HydrophobicContact CE2-CB 4.31Å; Y310-P324 HydrophobicContact CE2-CG 4.25Å; Y310-P324 WeakPolarHBondContact O-CD 3.33Å; P324-T326 PolarHBondContact O-N 2.7Å; P324-F337 HydrophobicContact CB-CD1 4.15Å; P324-F337 HydrophobicContact CB-CD2 4.29Å; P324-F337 HydrophobicContact CB-CE1 4.1Å; P324-F337 HydrophobicContact CB-CE2 4.28Å; P324-F337 HydrophobicContact CB-CG 4.21Å; P324-F337 HydrophobicContact CB-CZ 4.19Å
325	D	91.1	Very high	93.2	Very high	116 Å²	116	59.7 Å²	59.7	62%	0.62	33%	0.33	S	S	*	.	S	Bend	trans	-70.4	-23.4	-178.5	-57.5	-63.2	0	0	0	112.5	R340	D325-R340 IonicContact OD2-CZ 2.84Å; D325-R340 VanDerWaalsContact OD2-CZ 3.29Å; D325-R340 IonicContact OD2-NH1 2.76Å; D325-R340 PolarHBondContact OD2-NH1 3.47Å; D325-R340 IonicContact OD2-NH2 3.79Å; D325-R340 PolarHBondContact OD2-NH2 2.72Å
326	T	91.9	Very high	93.5	Very high	77 Å²	77	62 Å²	62	47%	0.472	34%	0.343	S	S	.	.	S	Bend	trans	-136.9	164.2	-176.5	67.7	0	0	0	0	110.8	P324 D328	P324-T326 PolarHBondContact O-N 2.7Å; T326-D328 VanDerWaalsContact C-N 3.26Å; T326-D328 PolarHBondContact O-N 3.4Å; T326-D328 WeakPolarHBondContact OG1-CB 3.25Å; T326-D328 PolarHBondContact OG1-N 3.47Å
327	N	89.9	Confident	94.2	Very high	121 Å²	121	60.5 Å²	60.5	65%	0.647	33%	0.326	S	S	*	.			trans	-94.3	38	169.9	-65.6	-21.7	0	0	0	111.1
328	D	95.7	Very high	95.1	Very high	76 Å²	76	50.5 Å²	50.5	41%	0.406	28%	0.28	S	S	.	.			trans	-90.9	113	176.6	-175.7	-15.9	0	0	0	109.9	T326 S330 A333	T326-D328 VanDerWaalsContact C-N 3.26Å; T326-D328 PolarHBondContact O-N 3.4Å; T326-D328 WeakPolarHBondContact OG1-CB 3.25Å; T326-D328 PolarHBondContact OG1-N 3.47Å; D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 2.88Å; D328-S330 PolarHBondContact OD1-OG 3.41Å; D328-S330 PolarHBondContact OD2-OG 3.29Å; D328-A333 HydrophobicContact CB-CB 3.75Å; D328-A333 VanDerWaalsContact CG-CB 3.46Å
329	Y	96.2	Very high	95.9	Very high	49 Å²	49	49.3 Å²	49.3	19%	0.192	27%	0.274	C	S	.	.			trans	-97.1	20.1	-179.3	-51.7	-51.9	0	0	0	113.3	F255 L266 P308 Y310 M334	F255-Y329 HydrophobicContact CE2-CD1 4.22Å; F255-Y329 AromaticContact CZ-CD1 3.98Å; F255-Y329 HydrophobicContact CZ-CD1 3.98Å; F255-Y329 HydrophobicContact CZ-CE1 4.09Å; F255-Y329 HydrophobicContact CZ-CG 4.49Å; L266-Y329 HydrophobicContact CD1-CG 4.27Å; P308-Y329 HydrophobicContact CG-CE2 4.18Å; P308-Y329 PolarHBondContact O-OH 2.75Å; Y310-Y329 HydrophobicContact CD1-CD1 4.02Å; Y310-Y329 AromaticContact CD1-CE1 3.8Å; Y310-Y329 HydrophobicContact CD1-CE1 3.8Å; Y310-Y329 AromaticContact CE1-CD1 3.91Å; Y310-Y329 HydrophobicContact CE1-CD1 3.91Å; Y310-Y329 AromaticContact CE1-CE1 3.91Å; Y310-Y329 HydrophobicContact CE1-CE1 3.91Å; Y329-M334 VanDerWaalsContact O-CE 3.27Å; Y329-M334 WeakPolarHBondContact O-CE 3.49Å
330	S	97.4	Very high	96.3	Very high	41 Å²	41	48.8 Å²	48.8	29%	0.287	26%	0.264	S	S	.	.	S	Bend	trans	-68.6	150.4	168.5	66.2	0	0	0	0	111	D328 S332 A333 M334	D328-S330 WeakPolarHBondContact OD1-CB 3.4Å; D328-S330 PolarHBondContact OD1-N 2.88Å; D328-S330 PolarHBondContact OD1-OG 3.41Å; D328-S330 PolarHBondContact OD2-OG 3.29Å; S330-S332 PolarHBondContact O-N 3.11Å; S330-A333 PolarHBondContact O-N 3.22Å; S330-A333 VanDerWaalsContact O-N 3.16Å; S330-A333 WeakPolarHBondContact OG-CB 3.38Å; S330-A333 PolarHBondContact OG-N 2.63Å; S330-M334 PolarHBondContact O-N 3.44Å
331	V	98	Very high	96.5	Very high	25 Å²	25	47.3 Å²	47.3	15%	0.152	26%	0.255	C	S	.	.	H	α-helix	trans	-54.8	-42.6	176.9	179.2	0	0	0	0	110.6	K269 E272 V273 A333 M334 S335	K269-V331 HydrophobicContact CB-CG2 3.87Å; K269-V331 HydrophobicContact CG-CG2 3.91Å; E272-V331 HydrophobicContact CB-CG1 4.43Å; E272-V331 HydrophobicContact CB-CG2 4.27Å; E272-V331 HydrophobicContact CG-CG1 4.07Å; E272-V331 HydrophobicContact CG-CG2 4.47Å; V273-V331 HydrophobicContact CG2-CB 4.44Å; V273-V331 HydrophobicContact CG2-CG1 3.92Å; V331-A333 PolarHBondContact O-N 3.14Å; V331-M334 PolarHBondContact O-N 3.34Å; V331-S335 VanDerWaalsContact O-CB 3.23Å; V331-S335 WeakPolarHBondContact O-CB 3.46Å; V331-S335 PolarHBondContact O-N 3.07Å; V331-S335 PolarHBondContact O-OG 3.3Å; V331-S335 VanDerWaalsContact O-OG 3.09Å
332	S	98	Very high	96.5	Very high	95 Å²	95	49.4 Å²	49.4	66%	0.664	27%	0.266	S	S	*	.	H	α-helix	trans	-60.9	-44.9	179	-173.9	0	0	0	0	112.7	S330 D336	S330-S332 PolarHBondContact O-N 3.11Å; S332-D336 WeakPolarHBondContact O-CB 3.5Å; S332-D336 PolarHBondContact O-N 3.03Å
333	A	97.9	Very high	96.4	Very high	21 Å²	21	51.9 Å²	51.9	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-68.9	-44	-178.9	0	0	0	0	0	111.5	D328 S330 V331 D336 F337	D328-A333 HydrophobicContact CB-CB 3.75Å; D328-A333 VanDerWaalsContact CG-CB 3.46Å; S330-A333 PolarHBondContact O-N 3.22Å; S330-A333 VanDerWaalsContact O-N 3.16Å; S330-A333 WeakPolarHBondContact OG-CB 3.38Å; S330-A333 PolarHBondContact OG-N 2.63Å; V331-A333 PolarHBondContact O-N 3.14Å; A333-D336 PolarHBondContact O-N 3.12Å; A333-F337 PolarHBondContact O-N 3.33Å; A333-F337 VanDerWaalsContact O-N 3.08Å
334	M	97.8	Very high	96.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-45.5	177.2	-67.7	-169.3	-67.2	0	0	111.6	F255 K269 L270 V273 Y310 Y329 S330 V331 F337 V338	F255-M334 HydrophobicContact CE2-SD 4.34Å; K269-M334 HydrophobicContact CB-CE 3.94Å; L270-M334 HydrophobicContact CD2-CE 4.15Å; L270-M334 HydrophobicContact CD2-SD 3.7Å; V273-M334 HydrophobicContact CG2-CB 3.84Å; V273-M334 HydrophobicContact CG2-CE 3.97Å; Y310-M334 HydrophobicContact CE1-CG 4.14Å; Y310-M334 HydrophobicContact CE1-SD 4.47Å; Y329-M334 VanDerWaalsContact O-CE 3.27Å; Y329-M334 WeakPolarHBondContact O-CE 3.49Å; S330-M334 PolarHBondContact O-N 3.44Å; V331-M334 PolarHBondContact O-N 3.34Å; M334-F337 PolarHBondContact O-N 2.85Å; M334-V338 VanDerWaalsContact O-CG2 3.24Å; M334-V338 WeakPolarHBondContact O-CG2 3.2Å; M334-V338 PolarHBondContact O-N 3.13Å
335	S	97.9	Very high	96.4	Very high	13 Å²	13	56.7 Å²	56.7	9%	0.091	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-39.8	177.7	-69.3	0	0	0	0	113.1	Q276 V331 V338 Q339	Q276-S335 PolarHBondContact OE1-OG 2.73Å; V331-S335 VanDerWaalsContact O-CB 3.23Å; V331-S335 WeakPolarHBondContact O-CB 3.46Å; V331-S335 PolarHBondContact O-N 3.07Å; V331-S335 PolarHBondContact O-OG 3.3Å; V331-S335 VanDerWaalsContact O-OG 3.09Å; S335-V338 PolarHBondContact O-N 2.98Å; S335-Q339 WeakPolarHBondContact O-CB 3.17Å; S335-Q339 PolarHBondContact O-N 3.12Å
336	D	98	Very high	96.7	Very high	81 Å²	81	51.9 Å²	51.9	43%	0.433	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-47.8	173.9	172.5	75.2	0	0	0	111.3	S332 A333 V338 Q339 R340	S332-D336 WeakPolarHBondContact O-CB 3.5Å; S332-D336 PolarHBondContact O-N 3.03Å; A333-D336 PolarHBondContact O-N 3.12Å; D336-V338 VanDerWaalsContact C-N 3.35Å; D336-V338 PolarHBondContact O-N 3.32Å; D336-Q339 PolarHBondContact O-N 3.38Å; D336-R340 WeakPolarHBondContact O-CB 3.39Å; D336-R340 WeakPolarHBondContact O-CG 3.41Å; D336-R340 PolarHBondContact O-N 3.21Å; D336-R340 IonicContact OD1-NE 3.06Å; D336-R340 IonicContact OD2-CZ 3.84Å; D336-R340 IonicContact OD2-NE 3.38Å; D336-R340 PolarHBondContact OD2-NE 2.88Å; D336-R340 IonicContact OD2-NH2 3.63Å; D336-R340 PolarHBondContact OD2-NH2 3.01Å; D336-R340 VanDerWaalsContact OD2-NH2 3.13Å
337	F	98.1	Very high	96.8	Very high	3 Å²	3	56.8 Å²	56.8	1%	0.013	31%	0.308	C	S	.	.	H	α-helix	trans	-61.9	-42	178.4	175.9	-112.8	0	0	0	112.4	Y310 I312 K323 P324 A333 M334 T341 V346	Y310-F337 HydrophobicContact CD2-CE1 4.44Å; Y310-F337 AromaticContact CE2-CD1 3.54Å; Y310-F337 HydrophobicContact CE2-CD1 3.54Å; Y310-F337 AromaticContact CE2-CE1 3.77Å; Y310-F337 HydrophobicContact CE2-CE1 3.77Å; I312-F337 HydrophobicContact CB-CE1 4.3Å; I312-F337 HydrophobicContact CD1-CD1 3.64Å; I312-F337 HydrophobicContact CD1-CE1 3.48Å; I312-F337 VanDerWaalsContact CD1-CE1 3.48Å; I312-F337 HydrophobicContact CD1-CZ 4.26Å; I312-F337 HydrophobicContact CG1-CD1 4.27Å; I312-F337 HydrophobicContact CG1-CE1 3.72Å; K323-F337 VanDerWaalsContact C-CZ 3.41Å; K323-F337 WeakPolarHBondContact O-CE2 3.21Å; P324-F337 HydrophobicContact CB-CD1 4.15Å; P324-F337 HydrophobicContact CB-CD2 4.29Å; P324-F337 HydrophobicContact CB-CE1 4.1Å; P324-F337 HydrophobicContact CB-CE2 4.28Å; P324-F337 HydrophobicContact CB-CG 4.21Å; P324-F337 HydrophobicContact CB-CZ 4.19Å; A333-F337 PolarHBondContact O-N 3.33Å; A333-F337 VanDerWaalsContact O-N 3.08Å; M334-F337 PolarHBondContact O-N 2.85Å; F337-T341 WeakPolarHBondContact O-CB 3.44Å; F337-T341 PolarHBondContact O-N 2.68Å; F337-T341 PolarHBondContact O-OG1 2.93Å; F337-V346 HydrophobicContact CD2-CG2 4.24Å; F337-V346 HydrophobicContact CE2-CG1 3.82Å; F337-V346 HydrophobicContact CE2-CG2 4.15Å
338	V	97.9	Very high	97	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-49.2	174.5	173	0	0	0	0	110.8	I253 V273 F277 L281 I312 M334 S335 D336 R340 T341 I342	I253-V338 HydrophobicContact CD1-CG2 3.47Å; I253-V338 VanDerWaalsContact CD1-CG2 3.47Å; I253-V338 HydrophobicContact CG1-CG2 4.08Å; V273-V338 HydrophobicContact CG1-CG2 4.26Å; F277-V338 HydrophobicContact CB-CG1 4.49Å; F277-V338 HydrophobicContact CD1-CG1 3.66Å; F277-V338 HydrophobicContact CD2-CB 4.21Å; F277-V338 HydrophobicContact CD2-CG1 3.61Å; F277-V338 HydrophobicContact CE1-CB 4.35Å; F277-V338 HydrophobicContact CE1-CG1 3.65Å; F277-V338 HydrophobicContact CE2-CB 3.82Å; F277-V338 HydrophobicContact CE2-CG1 3.63Å; F277-V338 HydrophobicContact CE2-CG2 4.48Å; F277-V338 HydrophobicContact CG-CG1 3.64Å; F277-V338 HydrophobicContact CZ-CB 3.89Å; F277-V338 HydrophobicContact CZ-CG1 3.65Å; L281-V338 HydrophobicContact CD1-CG1 3.81Å; L281-V338 HydrophobicContact CD1-CG2 4.42Å; I312-V338 HydrophobicContact CD1-CB 4.3Å; I312-V338 HydrophobicContact CD1-CG2 3.83Å; M334-V338 VanDerWaalsContact O-CG2 3.24Å; M334-V338 WeakPolarHBondContact O-CG2 3.2Å; M334-V338 PolarHBondContact O-N 3.13Å; S335-V338 PolarHBondContact O-N 2.98Å; D336-V338 VanDerWaalsContact C-N 3.35Å; D336-V338 PolarHBondContact O-N 3.32Å; V338-R340 PolarHBondContact O-N 2.97Å; V338-T341 WeakPolarHBondContact O-CB 3.31Å; V338-T341 PolarHBondContact O-N 2.99Å; V338-T341 VanDerWaalsContact O-N 3.15Å; V338-I342 HydrophobicContact CG1-CD1 3.81Å; V338-I342 HydrophobicContact CG1-CG1 4.44Å; V338-I342 WeakPolarHBondContact O-CG1 3.44Å; V338-I342 PolarHBondContact O-N 3.28Å
339	Q	98.1	Very high	97	Very high	76 Å²	76	52.7 Å²	52.7	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-43.7	-179.1	-172.9	61.2	61.7	0	0	111.7	F277 S335 D336 T341 I342 D343	F277-Q339 HydrophobicContact CE1-CB 4.36Å; F277-Q339 HydrophobicContact CZ-CB 4.31Å; S335-Q339 WeakPolarHBondContact O-CB 3.17Å; S335-Q339 PolarHBondContact O-N 3.12Å; D336-Q339 PolarHBondContact O-N 3.38Å; Q339-T341 VanDerWaalsContact C-N 3.26Å; Q339-T341 PolarHBondContact O-N 2.94Å; Q339-I342 PolarHBondContact O-N 3.5Å; Q339-D343 PolarHBondContact NE2-OD1 2.85Å; Q339-D343 WeakPolarHBondContact O-CB 3.36Å; Q339-D343 PolarHBondContact O-N 2.94Å
340	R	98	Very high	96.9	Very high	62 Å²	62	53.7 Å²	53.7	23%	0.234	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-35.4	175.2	-73.9	-171.3	-68.7	123.5	-7	112.3	D325 D336 V338 D343 G344 K345 V346	D325-R340 IonicContact OD2-CZ 2.84Å; D325-R340 VanDerWaalsContact OD2-CZ 3.29Å; D325-R340 IonicContact OD2-NH1 2.76Å; D325-R340 PolarHBondContact OD2-NH1 3.47Å; D325-R340 IonicContact OD2-NH2 3.79Å; D325-R340 PolarHBondContact OD2-NH2 2.72Å; D336-R340 WeakPolarHBondContact O-CB 3.39Å; D336-R340 WeakPolarHBondContact O-CG 3.41Å; D336-R340 PolarHBondContact O-N 3.21Å; D336-R340 IonicContact OD1-NE 3.06Å; D336-R340 IonicContact OD2-CZ 3.84Å; D336-R340 IonicContact OD2-NE 3.38Å; D336-R340 PolarHBondContact OD2-NE 2.88Å; D336-R340 IonicContact OD2-NH2 3.63Å; D336-R340 PolarHBondContact OD2-NH2 3.01Å; D336-R340 VanDerWaalsContact OD2-NH2 3.13Å; V338-R340 PolarHBondContact O-N 2.97Å; R340-D343 PolarHBondContact O-N 3.35Å; R340-G344 PolarHBondContact O-N 2.76Å; R340-K345 HydrophobicContact CB-CB 4.17Å; R340-K345 HydrophobicContact CG-CB 4.5Å; R340-K345 WeakPolarHBondContact O-CB 3.24Å; R340-K345 PolarHBondContact O-N 2.76Å; R340-V346 HydrophobicContact CB-CG2 3.65Å
341	T	97.7	Very high	96.7	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-68.9	-45	176.7	-56.4	0	0	0	0	110.9	I312 Y322 F337 V338 Q339 D343 G344 V346	I312-T341 HydrophobicContact CB-CG2 4.31Å; I312-T341 HydrophobicContact CD1-CG2 4.14Å; I312-T341 HydrophobicContact CG2-CG2 3.81Å; Y322-T341 HydrophobicContact CD1-CG2 4.19Å; Y322-T341 HydrophobicContact CD2-CG2 3.5Å; Y322-T341 VanDerWaalsContact CD2-CG2 3.5Å; Y322-T341 HydrophobicContact CE1-CG2 4.38Å; Y322-T341 HydrophobicContact CE2-CG2 3.72Å; Y322-T341 HydrophobicContact CG-CG2 3.74Å; F337-T341 WeakPolarHBondContact O-CB 3.44Å; F337-T341 PolarHBondContact O-N 2.68Å; F337-T341 PolarHBondContact O-OG1 2.93Å; V338-T341 WeakPolarHBondContact O-CB 3.31Å; V338-T341 PolarHBondContact O-N 2.99Å; V338-T341 VanDerWaalsContact O-N 3.15Å; Q339-T341 VanDerWaalsContact C-N 3.26Å; Q339-T341 PolarHBondContact O-N 2.94Å; T341-D343 VanDerWaalsContact C-N 3.26Å; T341-D343 PolarHBondContact O-N 3.22Å; T341-G344 PolarHBondContact O-N 2.85Å; T341-V346 WeakPolarHBondContact OG1-CG2 3.47Å
342	I	96	Very high	96.5	Very high	52 Å²	52	52.8 Å²	52.8	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-59.6	-38.4	173.8	-69.2	170.8	0	0	0	111.2	K251 F277 K280 V338 Q339 G344	K251-I342 HydrophobicContact CD-CG1 4.13Å; F277-I342 HydrophobicContact CD1-CD1 3.64Å; F277-I342 HydrophobicContact CE1-CD1 4Å; K280-I342 HydrophobicContact CB-CD1 4.5Å; V338-I342 HydrophobicContact CG1-CD1 3.81Å; V338-I342 HydrophobicContact CG1-CG1 4.44Å; V338-I342 WeakPolarHBondContact O-CG1 3.44Å; V338-I342 PolarHBondContact O-N 3.28Å; Q339-I342 PolarHBondContact O-N 3.5Å; I342-G344 PolarHBondContact O-N 3.23Å
343	D	96.7	Very high	96.3	Very high	75 Å²	75	52.7 Å²	52.7	40%	0.401	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-3.1	177.9	-70.5	0.4	0	0	0	113.9	Q339 R340 T341 K345	Q339-D343 PolarHBondContact NE2-OD1 2.85Å; Q339-D343 WeakPolarHBondContact O-CB 3.36Å; Q339-D343 PolarHBondContact O-N 2.94Å; R340-D343 PolarHBondContact O-N 3.35Å; T341-D343 VanDerWaalsContact C-N 3.26Å; T341-D343 PolarHBondContact O-N 3.22Å; D343-K345 VanDerWaalsContact C-N 3.3Å; D343-K345 HydrophobicContact CB-CD 3.83Å; D343-K345 HydrophobicContact CB-CG 3.94Å; D343-K345 PolarHBondContact O-N 3.15Å; D343-K345 IonicContact OD2-NZ 3.29Å; D343-K345 PolarHBondContact OD2-NZ 2.78Å
344	G	95.3	Very high	96.2	Very high	61 Å²	61	58.2 Å²	58.2	63%	0.629	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	23.3	-176.4	0	0	0	0	0	114.4	R340 T341 I342	R340-G344 PolarHBondContact O-N 2.76Å; T341-G344 PolarHBondContact O-N 2.85Å; I342-G344 PolarHBondContact O-N 3.23Å
345	K	97.6	Very high	96.1	Very high	143 Å²	143	62.1 Å²	62.1	62%	0.622	32%	0.32	S	S	*	.			trans	-94.2	-6.3	-177.9	-65.6	171.5	-177.3	155.8	0	113.9	R340 D343	R340-K345 HydrophobicContact CB-CB 4.17Å; R340-K345 HydrophobicContact CG-CB 4.5Å; R340-K345 WeakPolarHBondContact O-CB 3.24Å; R340-K345 PolarHBondContact O-N 2.76Å; D343-K345 VanDerWaalsContact C-N 3.3Å; D343-K345 HydrophobicContact CB-CD 3.83Å; D343-K345 HydrophobicContact CB-CG 3.94Å; D343-K345 PolarHBondContact O-N 3.15Å; D343-K345 IonicContact OD2-NZ 3.29Å; D343-K345 PolarHBondContact OD2-NZ 2.78Å
346	V	97.2	Very high	96	Very high	16 Å²	16	63.6 Å²	63.6	10%	0.097	33%	0.329	C	S	.	.	S	Bend	trans	-101.4	130.8	176.7	-174.4	0	0	0	0	108.3	Y322 F337 R340 T341	Y322-V346 HydrophobicContact CD1-CB 3.97Å; Y322-V346 HydrophobicContact CD1-CG1 3.79Å; Y322-V346 VanDerWaalsContact CE1-O 3.3Å; Y322-V346 WeakPolarHBondContact CE1-O 3.48Å; Y322-V346 HydrophobicContact CG-CG1 4.42Å; F337-V346 HydrophobicContact CD2-CG2 4.24Å; F337-V346 HydrophobicContact CE2-CG1 3.82Å; F337-V346 HydrophobicContact CE2-CG2 4.15Å; R340-V346 HydrophobicContact CB-CG2 3.65Å; T341-V346 WeakPolarHBondContact OG1-CG2 3.47Å
347	K	93.9	Very high	95.7	Very high	180 Å²	180	66.1 Å²	66.1	78%	0.783	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-72	144.2	174.6	-69.6	-171	176.1	-168.8	0	110.6	F349	K347-F349 PolarHBondContact O-N 3.47Å
348	P	94.4	Very high	95.3	Very high	55 Å²	55	70.7 Å²	70.7	36%	0.357	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-50.8	135.1	168.9	-28.3	36.8	0	0	0	111.7	T320 K321 Y322	T320-P348 HydrophobicContact CG2-CB 3.82Å; T320-P348 HydrophobicContact CG2-CG 3.84Å; K321-P348 CarbonylContact O-C 3.6Å; K321-P348 WeakPolarHBondContact O-CA 3.47Å; Y322-P348 HydrophobicContact CE1-CG 4.4Å
349	F	94.8	Very high	94.9	Very high	56 Å²	56	73.5 Å²	73.5	25%	0.246	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-83.6	117.7	167.7	175.1	-104.4	0	0	0	108.6	K321 K323 K347 M351	K321-F349 PolarHBondContact O-N 3.33Å; K323-F349 HydrophobicContact CB-CB 3.86Å; K323-F349 HydrophobicContact CB-CD1 4.5Å; K323-F349 HydrophobicContact CB-CD2 3.82Å; K323-F349 HydrophobicContact CB-CG 3.79Å; K323-F349 HydrophobicContact CD-CD2 3.84Å; K323-F349 HydrophobicContact CD-CE2 3.77Å; K323-F349 HydrophobicContact CD-CG 4.48Å; K323-F349 HydrophobicContact CD-CZ 4.34Å; K323-F349 HydrophobicContact CG-CD2 4.47Å; K347-F349 PolarHBondContact O-N 3.47Å; F349-M351 HydrophobicContact CE1-CG 3.98Å
350	L	93.8	Very high	94.4	Very high	69 Å²	69	76 Å²	76	36%	0.361	41%	0.411	S	S	.	.			trans	-104.9	125.4	176.2	-59.3	171.6	0	0	0	108.8	E424 E426	L350-E424 HydrophobicContact CB-CB 4.03Å; L350-E424 HydrophobicContact CD2-CB 3.99Å; L350-E426 HydrophobicContact CD1-CB 3.83Å; L350-E426 VanDerWaalsContact CD1-N 3.29Å
351	M	92.4	Very high	94	Very high	12 Å²	12	75.3 Å²	75.3	6%	0.059	42%	0.423	C	S	.	.			trans	-64.2	141.6	175.7	-69	175.3	52.9	0	0	110.8	E298 G301 F349 N423 E424	E298-M351 WeakPolarHBondContact O-CE 3.47Å; G301-M351 PolarHBondContact N-SD 2.91Å; F349-M351 HydrophobicContact CE1-CG 3.98Å; M351-N423 CarbonylContact O-C 3.5Å; M351-N423 WeakPolarHBondContact O-CA 3.25Å; M351-E424 HydrophobicContact CB-CG 4.28Å; M351-E424 PolarHBondContact N-OE2 3.38Å; M351-E424 PolarHBondContact O-N 2.84Å
352	S	95.1	Very high	93.9	Very high	35 Å²	35	76.3 Å²	76.3	25%	0.245	43%	0.432	C	S	.	.			trans	-157.8	137.1	169.7	179.8	0	0	0	0	109.9	G368 K369 N423	S352-G368 WeakPolarHBondContact OG-CA 3.43Å; S352-G368 PolarHBondContact OG-N 3.06Å; S352-K369 WeakPolarHBondContact OG-CG 3.27Å; S352-K369 PolarHBondContact OG-N 3.36Å; S352-N423 WeakPolarHBondContact CA-OD1 3.37Å; S352-N423 PolarHBondContact OG-OD1 2.85Å
353	E	94	Very high	94	Very high	93 Å²	93	74.5 Å²	74.5	44%	0.435	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-65.4	168.5	163.5	-64.3	175.2	105.9	0	0	110.8	V367 V422 N423	E353-V367 HydrophobicContact CB-CB 4.39Å; E353-V367 HydrophobicContact CB-CG1 3.8Å; E353-V422 VanDerWaalsContact CD-CG2 3.5Å; E353-V422 HydrophobicContact CG-CB 4.37Å; E353-V422 HydrophobicContact CG-CG2 3.88Å; E353-V422 WeakPolarHBondContact OE2-CG2 3.37Å; E353-N423 PolarHBondContact N-OD1 3.42Å; E353-N423 PolarHBondContact OE2-ND2 3.18Å
354	E	94.8	Very high	94	Very high	138 Å²	138	74.4 Å²	74.4	65%	0.645	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-69.9	147.7	167.6	-66.5	-54.6	148.7	0	0	110.7	P356 K369	E354-P356 VanDerWaalsContact O-CD 3.25Å; E354-P356 WeakPolarHBondContact O-CD 3.5Å; E354-K369 IonicContact OE1-NZ 2.8Å; E354-K369 PolarHBondContact OE1-NZ 2.94Å; E354-K369 IonicContact OE2-NZ 2.86Å; E354-K369 PolarHBondContact OE2-NZ 2.99Å
355	I	96.7	Very high	94.2	Very high	82 Å²	82	73.6 Å²	73.6	42%	0.421	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-60.4	122.9	173.9	-59.1	171.1	0	0	0	107.6	S357 V367 K369 N370	I355-S357 PolarHBondContact O-N 3.43Å; I355-V367 HydrophobicContact CB-CG2 4.38Å; I355-V367 HydrophobicContact CG1-CG2 3.75Å; I355-K369 HydrophobicContact CD1-CB 4.42Å; I355-K369 HydrophobicContact CG1-CB 4.19Å; I355-N370 HydrophobicContact CD1-CB 3.8Å; I355-N370 HydrophobicContact CG1-CB 3.95Å
356	P	94.7	Very high	94.2	Very high	43 Å²	43	66.8 Å²	66.8	28%	0.279	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-53.9	132.7	176.9	-28.3	35.3	0	0	0	111	E354 D358 Q359 V365	E354-P356 VanDerWaalsContact O-CD 3.25Å; E354-P356 WeakPolarHBondContact O-CD 3.5Å; P356-D358 PolarHBondContact O-N 3.4Å; P356-Q359 PolarHBondContact O-NE2 2.96Å; P356-V365 HydrophobicContact CG-CB 4.03Å; P356-V365 HydrophobicContact CG-CG1 3.75Å
357	S	92.3	Very high	94.2	Very high	134 Å²	134	66.1 Å²	66.1	94%	0.937	37%	0.368	S	S	*	.	S	Bend	trans	-65.1	-30.8	-179.6	52.5	0	0	0	0	112.5	I355	I355-S357 PolarHBondContact O-N 3.43Å
358	D	90.3	Very high	94.3	Very high	99 Å²	99	58.2 Å²	58.2	53%	0.529	34%	0.338	S	S	.	.			trans	-97.3	123.4	171	-174.7	11.1	0	0	0	110.7	P356 T360	P356-D358 PolarHBondContact O-N 3.4Å; D358-T360 VanDerWaalsContact OD1-CB 3.29Å; D358-T360 WeakPolarHBondContact OD1-CB 3.42Å; D358-T360 VanDerWaalsContact OD1-CG2 3.31Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.48Å; D358-T360 PolarHBondContact OD1-N 2.98Å; D358-T360 PolarHBondContact OD1-OG1 3.3Å
359	Q	89.4	Confident	94.4	Very high	60 Å²	60	60.3 Å²	60.3	28%	0.28	34%	0.342	S	S	.	.			trans	-128.2	20.7	175.9	-66.8	-72.4	-16.1	0	0	110.9	P356 G361 V365	P356-Q359 PolarHBondContact O-NE2 2.96Å; Q359-G361 VanDerWaalsContact C-N 3.33Å; Q359-V365 PolarHBondContact NE2-O 2.99Å; Q359-V365 PolarHBondContact OE1-O 2.85Å
360	T	86.8	Confident	94.5	Very high	127 Å²	127	58.1 Å²	58.1	78%	0.779	33%	0.333	S	S	*	.			trans	-80.6	-11.8	-175.4	61.4	0	0	0	0	113.9	D358	D358-T360 VanDerWaalsContact OD1-CB 3.29Å; D358-T360 WeakPolarHBondContact OD1-CB 3.42Å; D358-T360 VanDerWaalsContact OD1-CG2 3.31Å; D358-T360 WeakPolarHBondContact OD1-CG2 3.48Å; D358-T360 PolarHBondContact OD1-N 2.98Å; D358-T360 PolarHBondContact OD1-OG1 3.3Å
361	G	89.8	Confident	94.7	Very high	48 Å²	48	55 Å²	55	50%	0.495	32%	0.316	S	S	.	.	S	Bend	trans	-65.8	150.6	177.8	0	0	0	0	0	113.1	Q359 V363	Q359-G361 VanDerWaalsContact C-N 3.33Å; G361-V363 PolarHBondContact O-N 2.99Å
362	A	96.2	Very high	94.9	Very high	25 Å²	25	57 Å²	57	21%	0.207	33%	0.327	C	S	.	.	S	Bend	trans	-65.2	-19.6	178.9	0	0	0	0	0	113.9	G405 E406 K409	A362-G405 WeakPolarHBondContact O-CA 3.36Å; A362-E406 HydrophobicContact CB-CG 4.06Å; A362-E406 WeakPolarHBondContact CB-OE1 3.44Å; A362-K409 HydrophobicContact CB-CB 4.1Å; A362-K409 HydrophobicContact CB-CD 4.46Å
363	V	98	Very high	94.9	Very high	14 Å²	14	61.3 Å²	61.3	9%	0.085	35%	0.347	C	S	.	.	S	Bend	trans	-106.5	117.3	166.9	-179.6	0	0	0	0	109	G361 W401 I415 K417	G361-V363 PolarHBondContact O-N 2.99Å; V363-W401 WeakPolarHBondContact CG2-O 3.48Å; V363-I415 CarbonylContact C-O 3.48Å; V363-I415 WeakPolarHBondContact CA-O 3.42Å; V363-I415 HydrophobicContact CG1-CG2 4.46Å; V363-I415 HydrophobicContact CG2-CG2 4.16Å; V363-K417 HydrophobicContact CG1-CB 4.12Å; V363-K417 HydrophobicContact CG1-CD 3.82Å; V363-K417 HydrophobicContact CG1-CG 3.77Å
364	K	97.4	Very high	95	Very high	73 Å²	73	57.5 Å²	57.5	32%	0.317	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.7	178.1	-164.8	168.4	-174.8	172.3	0	110.9	L366 V374 V414 I415 A416 K417	K364-L366 HydrophobicContact CD-CD2 4.41Å; K364-L366 HydrophobicContact CG-CD2 4.27Å; K364-V374 HydrophobicContact CD-CG1 4.18Å; K364-V374 HydrophobicContact CD-CG2 4.18Å; K364-V414 HydrophobicContact CB-CG1 4.02Å; K364-V414 HydrophobicContact CD-CG1 4.02Å; K364-I415 PolarHBondContact N-O 3.17Å; K364-A416 HydrophobicContact CB-CB 4.23Å; K364-A416 CarbonylContact O-C 3.59Å; K364-A416 WeakPolarHBondContact O-CA 3.44Å; K364-K417 PolarHBondContact O-N 2.62Å
365	V	98	Very high	95.1	Very high	43 Å²	43	51.2 Å²	51.2	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.7	177.6	-176.4	0	0	0	0	109.1	P356 Q359 N370	P356-V365 HydrophobicContact CG-CB 4.03Å; P356-V365 HydrophobicContact CG-CG1 3.75Å; Q359-V365 PolarHBondContact NE2-O 2.99Å; Q359-V365 PolarHBondContact OE1-O 2.85Å; V365-N370 PolarHBondContact O-ND2 2.94Å
366	L	98.2	Very high	95	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.6	175.7	-50.9	-178.8	0	0	0	110.5	K364 N370 Y371 V374 V375 V384 A416 K417 M418	K364-L366 HydrophobicContact CD-CD2 4.41Å; K364-L366 HydrophobicContact CG-CD2 4.27Å; L366-N370 VanDerWaalsContact CA-OD1 3.25Å; L366-N370 WeakPolarHBondContact CA-OD1 3.38Å; L366-Y371 HydrophobicContact CB-CD2 4.2Å; L366-Y371 HydrophobicContact CD1-CD2 3.76Å; L366-Y371 HydrophobicContact CD1-CE2 4.05Å; L366-V374 HydrophobicContact CD2-CB 3.76Å; L366-V374 HydrophobicContact CD2-CG1 3.92Å; L366-V374 HydrophobicContact CD2-CG2 3.61Å; L366-V375 HydrophobicContact CD1-CG1 4.28Å; L366-V384 HydrophobicContact CD1-CG1 4Å; L366-V384 HydrophobicContact CD1-CG2 4.08Å; L366-A416 HydrophobicContact CD1-CB 3.74Å; L366-A416 HydrophobicContact CD2-CB 4.37Å; L366-A416 HydrophobicContact CG-CB 3.87Å; L366-K417 PolarHBondContact N-O 2.88Å; L366-M418 HydrophobicContact CB-CB 4.08Å; L366-M418 HydrophobicContact CB-CG 4.42Å; L366-M418 HydrophobicContact CB-SD 4.38Å; L366-M418 WeakPolarHBondContact O-CG 3.05Å
367	V	97.6	Very high	95	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	31%	0.308	C	S	.	.			trans	-133.9	166.5	171.1	-63.1	0	0	0	0	107.1	E353 I355 K369 N370 Y371 N423	E353-V367 HydrophobicContact CB-CB 4.39Å; E353-V367 HydrophobicContact CB-CG1 3.8Å; I355-V367 HydrophobicContact CB-CG2 4.38Å; I355-V367 HydrophobicContact CG1-CG2 3.75Å; V367-K369 HydrophobicContact CG2-CB 4.11Å; V367-K369 PolarHBondContact O-N 3.33Å; V367-K369 VanDerWaalsContact O-N 3.07Å; V367-N370 PolarHBondContact N-OD1 2.98Å; V367-N370 PolarHBondContact O-N 2.88Å; V367-N370 VanDerWaalsContact O-N 3.11Å; V367-N370 PolarHBondContact O-OD1 2.9Å; V367-Y371 WeakPolarHBondContact O-CB 3.48Å; V367-Y371 PolarHBondContact O-N 3.03Å; V367-N423 VanDerWaalsContact CA-OD1 3.26Å; V367-N423 WeakPolarHBondContact CA-OD1 3.38Å; V367-N423 WeakPolarHBondContact CB-OD1 3.48Å
368	G	96.2	Very high	95.2	Very high	15 Å²	15	50 Å²	50	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-52.6	-37.1	-178.8	0	0	0	0	0	113	S352 N370 N423	S352-G368 WeakPolarHBondContact OG-CA 3.43Å; S352-G368 PolarHBondContact OG-N 3.06Å; G368-N370 PolarHBondContact O-N 3.29Å; G368-N423 PolarHBondContact N-OD1 3.13Å; G368-N423 VanDerWaalsContact N-OD1 3.15Å
369	K	95.9	Very high	95.5	Very high	98 Å²	98	48.5 Å²	48.5	43%	0.426	27%	0.272	S	S	.	.	H	α-helix	trans	-64.7	-32.4	179.8	-70.4	172.9	-162.7	-162.3	0	115.5	S352 E354 I355 V367	S352-K369 WeakPolarHBondContact OG-CG 3.27Å; S352-K369 PolarHBondContact OG-N 3.36Å; E354-K369 IonicContact OE1-NZ 2.8Å; E354-K369 PolarHBondContact OE1-NZ 2.94Å; E354-K369 IonicContact OE2-NZ 2.86Å; E354-K369 PolarHBondContact OE2-NZ 2.99Å; I355-K369 HydrophobicContact CD1-CB 4.42Å; I355-K369 HydrophobicContact CG1-CB 4.19Å; V367-K369 HydrophobicContact CG2-CB 4.11Å; V367-K369 PolarHBondContact O-N 3.33Å; V367-K369 VanDerWaalsContact O-N 3.07Å
370	N	96.9	Very high	95.8	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.059	27%	0.271	C	S	.	.	H	α-helix	trans	-113	-3.7	-177.8	73.4	-7.7	0	0	0	113.4	I355 V365 L366 V367 G368 N372 D373 V374	I355-N370 HydrophobicContact CD1-CB 3.8Å; I355-N370 HydrophobicContact CG1-CB 3.95Å; V365-N370 PolarHBondContact O-ND2 2.94Å; L366-N370 VanDerWaalsContact CA-OD1 3.25Å; L366-N370 WeakPolarHBondContact CA-OD1 3.38Å; V367-N370 PolarHBondContact N-OD1 2.98Å; V367-N370 PolarHBondContact O-N 2.88Å; V367-N370 VanDerWaalsContact O-N 3.11Å; V367-N370 PolarHBondContact O-OD1 2.9Å; G368-N370 PolarHBondContact O-N 3.29Å; N370-N372 PolarHBondContact O-N 2.97Å; N370-D373 PolarHBondContact O-N 3.41Å; N370-V374 WeakPolarHBondContact O-CG2 3.48Å; N370-V374 PolarHBondContact O-N 3.45Å; N370-V374 VanDerWaalsContact O-N 3.12Å
371	Y	97.7	Very high	96.3	Very high	3 Å²	3	43 Å²	43	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-54.4	-55.5	-175.7	-171.3	-89	0	0	0	111.4	L366 V367 D373 V374 V375 V384 L386 M418 V425 L428 Y439	L366-Y371 HydrophobicContact CB-CD2 4.2Å; L366-Y371 HydrophobicContact CD1-CD2 3.76Å; L366-Y371 HydrophobicContact CD1-CE2 4.05Å; V367-Y371 WeakPolarHBondContact O-CB 3.48Å; V367-Y371 PolarHBondContact O-N 3.03Å; Y371-D373 PolarHBondContact O-N 2.66Å; Y371-V374 PolarHBondContact O-N 2.84Å; Y371-V375 HydrophobicContact CD1-CG1 4.1Å; Y371-V375 HydrophobicContact CD1-CG2 3.8Å; Y371-V375 HydrophobicContact CE1-CB 4.33Å; Y371-V375 HydrophobicContact CE1-CG1 3.78Å; Y371-V375 HydrophobicContact CE1-CG2 3.67Å; Y371-V375 HydrophobicContact CE2-CG1 4.3Å; Y371-V375 HydrophobicContact CG-CG1 4.47Å; Y371-V375 WeakPolarHBondContact O-CG1 3.44Å; Y371-V375 WeakPolarHBondContact O-CG2 3.35Å; Y371-V375 PolarHBondContact O-N 2.61Å; Y371-V384 HydrophobicContact CE2-CG1 3.91Å; Y371-L386 HydrophobicContact CE2-CD2 3.87Å; Y371-M418 HydrophobicContact CD2-CE 3.6Å; Y371-M418 HydrophobicContact CD2-SD 3.49Å; Y371-M418 WeakPolarHBondContact CD2-SD 3.15Å; Y371-M418 HydrophobicContact CE2-CE 3.73Å; Y371-M418 HydrophobicContact CE2-SD 4.14Å; Y371-M418 HydrophobicContact CG-CE 4.42Å; Y371-M418 HydrophobicContact CG-SD 4.29Å; Y371-V425 HydrophobicContact CD1-CB 4.46Å; Y371-V425 HydrophobicContact CD1-CG1 4.02Å; Y371-V425 HydrophobicContact CD1-CG2 3.97Å; Y371-V425 HydrophobicContact CD2-CG2 4.36Å; Y371-V425 HydrophobicContact CG-CG2 3.75Å; Y371-L428 HydrophobicContact CD2-CD2 4.45Å; Y371-L428 HydrophobicContact CE1-CD2 3.97Å; Y371-L428 HydrophobicContact CE2-CD2 3.82Å; Y371-Y439 PolarHBondContact OH-OH 3Å
372	N	96.1	Very high	96.7	Very high	53 Å²	53	40.7 Å²	40.7	28%	0.283	21%	0.213	S	C	.	.	H	α-helix	trans	-63	-40.9	-177.8	-80.2	-32.2	0	0	0	112.6	N370 V374 K376	N370-N372 PolarHBondContact O-N 2.97Å; N372-V374 PolarHBondContact O-N 2.98Å; N372-K376 HydrophobicContact CB-CD 4.28Å; N372-K376 WeakPolarHBondContact O-CB 3.15Å; N372-K376 VanDerWaalsContact O-CG 3.3Å; N372-K376 WeakPolarHBondContact O-CG 3.4Å; N372-K376 PolarHBondContact O-N 3.38Å; N372-K376 WeakPolarHBondContact OD1-CE 3.4Å
373	D	95.9	Very high	96.8	Very high	126 Å²	126	39.5 Å²	39.5	67%	0.674	20%	0.204	S	C	*	.	H	α-helix	trans	-61.8	-34.5	178.6	-66	-16.1	0	0	0	111.7	N370 Y371	N370-D373 PolarHBondContact O-N 3.41Å; Y371-D373 PolarHBondContact O-N 2.66Å
374	V	96.5	Very high	96.9	Very high	13 Å²	13	38.8 Å²	38.8	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-81.3	-52.6	178.4	179.9	0	0	0	0	111.5	K364 L366 N370 Y371 N372 K376 D377 V382 V414	K364-V374 HydrophobicContact CD-CG1 4.18Å; K364-V374 HydrophobicContact CD-CG2 4.18Å; L366-V374 HydrophobicContact CD2-CB 3.76Å; L366-V374 HydrophobicContact CD2-CG1 3.92Å; L366-V374 HydrophobicContact CD2-CG2 3.61Å; N370-V374 WeakPolarHBondContact O-CG2 3.48Å; N370-V374 PolarHBondContact O-N 3.45Å; N370-V374 VanDerWaalsContact O-N 3.12Å; Y371-V374 PolarHBondContact O-N 2.84Å; N372-V374 PolarHBondContact O-N 2.98Å; V374-K376 VanDerWaalsContact C-N 3.29Å; V374-K376 PolarHBondContact O-N 3.17Å; V374-D377 PolarHBondContact O-N 2.72Å; V374-V382 HydrophobicContact CG1-CG1 4.11Å; V374-V414 HydrophobicContact CG1-CG1 4.18Å
375	V	96.7	Very high	96.9	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-74.1	-20.1	-173.1	-53.9	0	0	0	0	113.5	L366 Y371 V382 V384 Y439	L366-V375 HydrophobicContact CD1-CG1 4.28Å; Y371-V375 HydrophobicContact CD1-CG1 4.1Å; Y371-V375 HydrophobicContact CD1-CG2 3.8Å; Y371-V375 HydrophobicContact CE1-CB 4.33Å; Y371-V375 HydrophobicContact CE1-CG1 3.78Å; Y371-V375 HydrophobicContact CE1-CG2 3.67Å; Y371-V375 HydrophobicContact CE2-CG1 4.3Å; Y371-V375 HydrophobicContact CG-CG1 4.47Å; Y371-V375 WeakPolarHBondContact O-CG1 3.44Å; Y371-V375 WeakPolarHBondContact O-CG2 3.35Å; Y371-V375 PolarHBondContact O-N 2.61Å; V375-V382 HydrophobicContact CG1-CG1 4.16Å; V375-V384 HydrophobicContact CG1-CG2 3.71Å; V375-Y439 HydrophobicContact CB-CD1 3.81Å; V375-Y439 HydrophobicContact CB-CD2 3.79Å; V375-Y439 HydrophobicContact CB-CE1 3.92Å; V375-Y439 HydrophobicContact CB-CE2 3.91Å; V375-Y439 HydrophobicContact CB-CG 3.75Å; V375-Y439 HydrophobicContact CG1-CD2 3.87Å; V375-Y439 HydrophobicContact CG1-CE2 3.74Å; V375-Y439 HydrophobicContact CG1-CG 4.36Å; V375-Y439 HydrophobicContact CG2-CD1 4.09Å; V375-Y439 HydrophobicContact CG2-CE1 3.84Å; V375-Y439 HydrophobicContact CG2-CE2 4.49Å
376	K	94.4	Very high	96.9	Very high	107 Å²	107	33.6 Å²	33.6	47%	0.465	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	1	176.3	-58.7	-177.6	177.5	-179.6	0	113.1	N372 V374 K378	N372-K376 HydrophobicContact CB-CD 4.28Å; N372-K376 WeakPolarHBondContact O-CB 3.15Å; N372-K376 VanDerWaalsContact O-CG 3.3Å; N372-K376 WeakPolarHBondContact O-CG 3.4Å; N372-K376 PolarHBondContact O-N 3.38Å; N372-K376 WeakPolarHBondContact OD1-CE 3.4Å; V374-K376 VanDerWaalsContact C-N 3.29Å; V374-K376 PolarHBondContact O-N 3.17Å; K376-K378 PolarHBondContact O-N 3.01Å
377	D	95.6	Very high	96.9	Very high	69 Å²	69	36.2 Å²	36.2	37%	0.369	18%	0.184	S	C	.	.			trans	-67.9	97.5	170.7	-178.4	-3.7	0	0	0	110.3	V374 S379 K380	V374-D377 PolarHBondContact O-N 2.72Å; D377-S379 VanDerWaalsContact CG-OG 3.29Å; D377-S379 PolarHBondContact O-N 2.84Å; D377-S379 VanDerWaalsContact O-N 3.08Å; D377-S379 VanDerWaalsContact OD1-CB 3.28Å; D377-S379 WeakPolarHBondContact OD1-CB 3.24Å; D377-S379 PolarHBondContact OD1-N 3.33Å; D377-S379 PolarHBondContact OD1-OG 3.46Å; D377-S379 PolarHBondContact OD2-OG 3.13Å; D377-K380 PolarHBondContact O-N 3.27Å; D377-K380 VanDerWaalsContact O-N 3.17Å
378	K	95.3	Very high	96.7	Very high	59 Å²	59	36.2 Å²	36.2	26%	0.257	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.4	-177.3	-54.9	-53.3	-177	-179.5	0	114	K376 K380 K441 N442 S443 E444	K376-K378 PolarHBondContact O-N 3.01Å; K378-K380 VanDerWaalsContact C-N 3.33Å; K378-K441 WeakPolarHBondContact O-CB 3.49Å; K378-N442 PolarHBondContact O-N 3.47Å; K378-N442 PolarHBondContact O-OD1 3.16Å; K378-S443 PolarHBondContact NZ-O 3.21Å; K378-E444 WeakPolarHBondContact CE-OE1 3.43Å; K378-E444 WeakPolarHBondContact CE-OE2 3.4Å; K378-E444 IonicContact NZ-OE1 3.32Å; K378-E444 PolarHBondContact NZ-OE1 2.94Å; K378-E444 IonicContact NZ-OE2 2.74Å; K378-E444 PolarHBondContact NZ-OE2 3.12Å
379	S	96.2	Very high	96.4	Very high	67 Å²	67	38.5 Å²	38.5	47%	0.469	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.6	174.8	76.3	0	0	0	0	113.4	D377	D377-S379 VanDerWaalsContact CG-OG 3.29Å; D377-S379 PolarHBondContact O-N 2.84Å; D377-S379 VanDerWaalsContact O-N 3.08Å; D377-S379 VanDerWaalsContact OD1-CB 3.28Å; D377-S379 WeakPolarHBondContact OD1-CB 3.24Å; D377-S379 PolarHBondContact OD1-N 3.33Å; D377-S379 PolarHBondContact OD1-OG 3.46Å; D377-S379 PolarHBondContact OD2-OG 3.13Å
380	K	96.4	Very high	95.9	Very high	57 Å²	57	42.4 Å²	42.4	25%	0.248	21%	0.208	C	C	.	.	S	Bend	trans	-126.9	148.1	-174.9	-60.8	-65.2	178.8	175.3	0	111.7	D377 K378 V382 D412 V414 K441	D377-K380 PolarHBondContact O-N 3.27Å; D377-K380 VanDerWaalsContact O-N 3.17Å; K378-K380 VanDerWaalsContact C-N 3.33Å; K380-V382 HydrophobicContact CB-CG2 4.4Å; K380-D412 VanDerWaalsContact CA-O 3.31Å; K380-D412 WeakPolarHBondContact CA-O 3.46Å; K380-D412 HydrophobicContact CD-CB 4.1Å; K380-D412 WeakPolarHBondContact CD-O 3.41Å; K380-D412 IonicContact NZ-OD1 2.69Å; K380-D412 PolarHBondContact NZ-OD1 3.28Å; K380-V414 HydrophobicContact CB-CG2 4.23Å; K380-V414 HydrophobicContact CG-CG2 4.35Å; K380-K441 WeakPolarHBondContact O-CA 3.22Å; K380-K441 WeakPolarHBondContact O-CB 3.4Å
381	D	97.9	Very high	95.5	Very high	13 Å²	13	42.6 Å²	42.6	7%	0.07	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	131.9	162.8	-67.7	-57	0	0	0	107.7	D412 T413 V414 F438 P440 K441	D381-D412 PolarHBondContact N-O 3.22Å; D381-T413 HydrophobicContact CB-CG2 4.23Å; D381-T413 CarbonylContact O-C 3.48Å; D381-T413 VanDerWaalsContact O-CA 3.24Å; D381-T413 WeakPolarHBondContact O-CA 3.43Å; D381-V414 PolarHBondContact O-N 3.5Å; D381-F438 HydrophobicContact CB-CE2 4.23Å; D381-F438 HydrophobicContact CB-CZ 3.76Å; D381-P440 WeakPolarHBondContact OD1-CA 3.41Å; D381-K441 WeakPolarHBondContact OD1-CG 3.46Å; D381-K441 PolarHBondContact OD1-N 3.33Å; D381-K441 WeakPolarHBondContact OD2-CD 3.23Å; D381-K441 WeakPolarHBondContact OD2-CE 3.41Å; D381-K441 IonicContact OD2-NZ 3.36Å; D381-K441 PolarHBondContact OD2-NZ 3.09Å
382	V	98.3	Very high	95.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	121.1	-178.9	-170.9	0	0	0	0	110.3	V374 V375 K380 V384 V414 F438 Y439	V374-V382 HydrophobicContact CG1-CG1 4.11Å; V375-V382 HydrophobicContact CG1-CG1 4.16Å; K380-V382 HydrophobicContact CB-CG2 4.4Å; V382-V384 HydrophobicContact CG1-CG2 3.82Å; V382-V414 WeakPolarHBondContact CA-O 3.04Å; V382-V414 HydrophobicContact CG1-CB 4.22Å; V382-V414 HydrophobicContact CG1-CG1 4.35Å; V382-V414 HydrophobicContact CG2-CB 4.22Å; V382-F438 CarbonylContact O-C 3.58Å; V382-F438 WeakPolarHBondContact O-CA 3.25Å; V382-Y439 PolarHBondContact N-O 2.7Å; V382-Y439 PolarHBondContact O-N 3.07Å
383	F	98.4	Very high	95.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	116.3	175.5	-162.4	-159.1	0	0	0	110.4	W401 L404 V414 I415 A416 L436 K437 F438 Y449 L458 F461 V462	F383-W401 AromaticContact CD1-CH2 3.52Å; F383-W401 HydrophobicContact CD1-CH2 3.52Å; F383-W401 HydrophobicContact CD1-CZ2 4.24Å; F383-W401 HydrophobicContact CD1-CZ3 4.1Å; F383-W401 HydrophobicContact CD2-CH2 4.05Å; F383-W401 AromaticContact CE1-CH2 3.59Å; F383-W401 HydrophobicContact CE1-CH2 3.59Å; F383-W401 AromaticContact CE1-CZ3 3.79Å; F383-W401 HydrophobicContact CE1-CZ3 3.79Å; F383-W401 HydrophobicContact CE2-CH2 4.1Å; F383-W401 AromaticContact CG-CH2 3.77Å; F383-W401 HydrophobicContact CG-CH2 3.77Å; F383-W401 HydrophobicContact CG-CZ2 4.28Å; F383-W401 AromaticContact CZ-CH2 3.88Å; F383-W401 HydrophobicContact CZ-CH2 3.88Å; F383-W401 HydrophobicContact CZ-CZ3 4.15Å; F383-L404 HydrophobicContact CD1-CD2 3.95Å; F383-L404 HydrophobicContact CE1-CD2 4.21Å; F383-V414 PolarHBondContact N-O 3.21Å; F383-I415 HydrophobicContact CB-CD1 3.93Å; F383-I415 HydrophobicContact CD1-CD1 4.44Å; F383-A416 PolarHBondContact O-N 2.93Å; F383-L436 HydrophobicContact CE2-CB 3.99Å; F383-L436 HydrophobicContact CZ-CB 4.24Å; F383-L436 HydrophobicContact CZ-CD1 4.37Å; F383-K437 WeakPolarHBondContact CD2-O 3.42Å; F383-F438 HydrophobicContact CB-CD2 3.75Å; F383-F438 HydrophobicContact CB-CE2 4.28Å; F383-F438 HydrophobicContact CD2-CB 3.83Å; F383-F438 AromaticContact CD2-CD2 3.85Å; F383-F438 HydrophobicContact CD2-CD2 3.85Å; F383-F438 HydrophobicContact CD2-CG 4.36Å; F383-F438 HydrophobicContact CE2-CB 4.21Å; F383-F438 AromaticContact CG-CD2 3.87Å; F383-F438 HydrophobicContact CG-CD2 3.87Å; F383-Y449 HydrophobicContact CE2-CG 4.49Å; F383-Y449 HydrophobicContact CZ-CD1 4.45Å; F383-Y449 HydrophobicContact CZ-CD2 4.43Å; F383-Y449 HydrophobicContact CZ-CG 4.04Å; F383-L458 HydrophobicContact CE1-CB 4.49Å; F383-L458 HydrophobicContact CE1-CD2 3.86Å; F383-L458 HydrophobicContact CZ-CD2 3.97Å; F383-F461 HydrophobicContact CD2-CE1 4.34Å; F383-F461 HydrophobicContact CE1-CD1 4.08Å; F383-F461 HydrophobicContact CE1-CE1 4.43Å; F383-F461 HydrophobicContact CE2-CD1 4.24Å; F383-F461 AromaticContact CE2-CE1 3.79Å; F383-F461 HydrophobicContact CE2-CE1 3.79Å; F383-F461 AromaticContact CZ-CD1 3.82Å; F383-F461 HydrophobicContact CZ-CD1 3.82Å; F383-F461 AromaticContact CZ-CE1 3.83Å; F383-F461 HydrophobicContact CZ-CE1 3.83Å; F383-V462 HydrophobicContact CB-CG2 4.33Å; F383-V462 HydrophobicContact CD1-CG2 3.41Å; F383-V462 VanDerWaalsContact CD1-CG2 3.41Å; F383-V462 HydrophobicContact CE1-CG2 3.95Å; F383-V462 HydrophobicContact CG-CG2 4.15Å
384	V	98.6	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.7	-171	-170	0	0	0	0	111.2	L366 Y371 V375 V382 L386 A416 L436 K437 Y439	L366-V384 HydrophobicContact CD1-CG1 4Å; L366-V384 HydrophobicContact CD1-CG2 4.08Å; Y371-V384 HydrophobicContact CE2-CG1 3.91Å; V375-V384 HydrophobicContact CG1-CG2 3.71Å; V382-V384 HydrophobicContact CG1-CG2 3.82Å; V384-L386 HydrophobicContact CG1-CD2 3.91Å; V384-L386 HydrophobicContact CG1-CG 4.39Å; V384-A416 WeakPolarHBondContact CA-O 3.41Å; V384-A416 HydrophobicContact CG2-CB 4.31Å; V384-L436 WeakPolarHBondContact O-CA 3.38Å; V384-K437 PolarHBondContact N-O 2.84Å; V384-K437 PolarHBondContact O-N 2.88Å; V384-Y439 HydrophobicContact CB-CE2 4.48Å; V384-Y439 HydrophobicContact CG2-CD2 4.07Å; V384-Y439 HydrophobicContact CG2-CE2 3.86Å
385	K	98.5	Very high	95.2	Very high	6 Å²	6	48.3 Å²	48.3	3%	0.026	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	111.6	166.2	176.8	179.4	72.2	177.6	0	110.7	L397 W401 A416 K417 M418 P434 L436	K385-L397 HydrophobicContact CD-CD2 3.76Å; K385-L397 HydrophobicContact CD-CG 4.06Å; K385-L397 HydrophobicContact CG-CD2 4.37Å; K385-W401 HydrophobicContact CB-CD2 3.75Å; K385-W401 HydrophobicContact CB-CE3 4.19Å; K385-W401 HydrophobicContact CB-CG 4.34Å; K385-W401 HydrophobicContact CB-CH2 3.91Å; K385-W401 HydrophobicContact CB-CZ2 3.44Å; K385-W401 VanDerWaalsContact CB-CZ2 3.44Å; K385-W401 HydrophobicContact CB-CZ3 4.26Å; K385-W401 HydrophobicContact CD-CB 4.39Å; K385-W401 HydrophobicContact CD-CD2 3.93Å; K385-W401 HydrophobicContact CD-CE3 4.26Å; K385-W401 HydrophobicContact CD-CG 3.96Å; K385-W401 HydrophobicContact CG-CD2 4.42Å; K385-W401 VanDerWaalsContact N-CZ2 3.3Å; K385-A416 PolarHBondContact N-O 3.34Å; K385-K417 HydrophobicContact CB-CB 4.45Å; K385-K417 CarbonylContact O-C 3.41Å; K385-K417 VanDerWaalsContact O-CA 3.27Å; K385-K417 WeakPolarHBondContact O-CA 3.28Å; K385-M418 PolarHBondContact O-N 2.91Å; K385-P434 HydrophobicContact CG-CB 4.24Å; K385-L436 HydrophobicContact CB-CD2 3.7Å; K385-L436 HydrophobicContact CD-CD2 4.49Å; K385-L436 HydrophobicContact CG-CD2 3.71Å
386	L	98.5	Very high	95.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.9	171	-53.5	170.4	0	0	0	107.9	Y371 V384 M418 A420 L428 V430 P434 T435 K437	Y371-L386 HydrophobicContact CE2-CD2 3.87Å; V384-L386 HydrophobicContact CG1-CD2 3.91Å; V384-L386 HydrophobicContact CG1-CG 4.39Å; L386-M418 WeakPolarHBondContact CA-O 3.39Å; L386-M418 HydrophobicContact CD2-CB 4Å; L386-M418 HydrophobicContact CD2-CE 3.68Å; L386-A420 HydrophobicContact CB-CB 4.43Å; L386-L428 HydrophobicContact CD1-CD1 3.8Å; L386-L428 HydrophobicContact CD1-CD2 3.99Å; L386-L428 HydrophobicContact CD1-CG 4.17Å; L386-L428 HydrophobicContact CD2-CD2 3.89Å; L386-V430 HydrophobicContact CB-CG1 4.36Å; L386-V430 HydrophobicContact CB-CG2 4.29Å; L386-V430 HydrophobicContact CD1-CG2 3.61Å; L386-V430 HydrophobicContact CG-CG2 4.43Å; L386-P434 VanDerWaalsContact O-CA 3.25Å; L386-P434 WeakPolarHBondContact O-CA 3.19Å; L386-T435 WeakPolarHBondContact CB-O 3.25Å; L386-T435 HydrophobicContact CD1-CG2 4.01Å; L386-T435 PolarHBondContact N-O 3.42Å; L386-T435 PolarHBondContact O-N 2.94Å; L386-K437 HydrophobicContact CD1-CD 4.21Å
387	Y	97.4	Very high	95.4	Very high	57 Å²	57	46.9 Å²	46.9	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	166.7	-170.8	75.1	-82	0	0	0	112.8	P389 C394 K417 M418 D419 A420 F433	Y387-P389 HydrophobicContact CE2-CG 4.42Å; Y387-C394 VanDerWaalsContact CB-SG 3.55Å; Y387-K417 HydrophobicContact CD1-CB 4.22Å; Y387-K417 HydrophobicContact CE1-CB 3.98Å; Y387-K417 HydrophobicContact CE1-CD 4.4Å; Y387-K417 HydrophobicContact CE1-CG 4.17Å; Y387-M418 VanDerWaalsContact CD1-C 3.46Å; Y387-M418 WeakPolarHBondContact CD1-O 3.28Å; Y387-M418 WeakPolarHBondContact CE1-O 3.27Å; Y387-M418 PolarHBondContact N-O 2.96Å; Y387-D419 HydrophobicContact CE1-CB 4.22Å; Y387-D419 HydrophobicContact CE2-CB 4.28Å; Y387-D419 WeakPolarHBondContact O-CA 3.43Å; Y387-A420 PolarHBondContact O-N 3.5Å; Y387-F433 WeakPolarHBondContact O-CE1 3.22Å
388	A	92.4	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.			trans	-121.7	136	167.4	0	0	0	0	0	108.8	W390 C391 T421 F433	A388-W390 HydrophobicContact CB-CD2 4.11Å; A388-W390 HydrophobicContact CB-CH2 4.36Å; A388-W390 HydrophobicContact CB-CZ2 3.83Å; A388-W390 PolarHBondContact O-N 3.44Å; A388-C391 HydrophobicContact CB-CB 4.12Å; A388-C391 WeakPolarHBondContact O-CB 3.38Å; A388-C391 PolarHBondContact O-N 3.32Å; A388-T421 HydrophobicContact CB-CG2 3.41Å; A388-T421 VanDerWaalsContact CB-CG2 3.41Å; A388-F433 HydrophobicContact CB-CB 4.35Å; A388-F433 HydrophobicContact CB-CD1 4.03Å; A388-F433 HydrophobicContact CB-CD2 3.72Å; A388-F433 HydrophobicContact CB-CE1 4.17Å; A388-F433 HydrophobicContact CB-CE2 3.91Å; A388-F433 HydrophobicContact CB-CG 3.77Å; A388-F433 HydrophobicContact CB-CZ 4.13Å
389	P	90.5	Very high	95.6	Very high	64 Å²	64	46.3 Å²	46.3	42%	0.416	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.2	-176.4	-27	35	0	0	0	113.9	Y387 K395 D419	Y387-P389 HydrophobicContact CE2-CG 4.42Å; P389-K395 WeakPolarHBondContact O-CE 3.35Å; P389-D419 WeakPolarHBondContact CD-OD1 3.36Å; P389-D419 WeakPolarHBondContact CD-OD2 3.18Å; P389-D419 WeakPolarHBondContact CG-OD2 3.23Å
390	W	84.8	Confident	95.7	Very high	180 Å²	180	44.7 Å²	44.7	68%	0.682	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-9.9	179.6	49.9	-101	0	0	0	113.7	A388 G392 F433	A388-W390 HydrophobicContact CB-CD2 4.11Å; A388-W390 HydrophobicContact CB-CH2 4.36Å; A388-W390 HydrophobicContact CB-CZ2 3.83Å; A388-W390 PolarHBondContact O-N 3.44Å; W390-G392 PolarHBondContact O-N 2.77Å; W390-F433 HydrophobicContact CH2-CD2 4.21Å; W390-F433 HydrophobicContact CZ2-CD2 4.42Å; W390-F433 HydrophobicContact CZ2-CE2 4.41Å
391	C	90	Very high	95.8	Very high	14 Å²	14	42 Å²	42	10%	0.095	23%	0.233	C	C	.	.			trans	-76.9	121.5	-176.8	174	0	0	0	0	112.2	A388 H393 C394 K395 F433	A388-C391 HydrophobicContact CB-CB 4.12Å; A388-C391 WeakPolarHBondContact O-CB 3.38Å; A388-C391 PolarHBondContact O-N 3.32Å; C391-H393 PolarHBondContact O-N 3.08Å; C391-C394 HydrophobicContact CB-CB 3.93Å; C391-C394 VanDerWaalsContact CB-SG 3.51Å; C391-C394 WeakPolarHBondContact O-CB 3.36Å; C391-C394 PolarHBondContact O-N 3.5Å; C391-C394 PolarHBondContact SG-SG 2.89Å; C391-K395 PolarHBondContact O-N 3.01Å; C391-K395 VanDerWaalsContact O-N 3.12Å; C391-F433 HydrophobicContact CB-CB 4.04Å; C391-F433 PolarHBondContact SG-O 2.8Å; C391-F433 VanDerWaalsContact SG-O 3.35Å
392	G	92	Very high	95.8	Very high	49 Å²	49	44.7 Å²	44.7	51%	0.505	25%	0.248	S	C	.	.	H	α-helix	trans	-59.3	-41.8	178.6	0	0	0	0	0	113.5	W390 C394 K395 A396	W390-G392 PolarHBondContact O-N 2.77Å; G392-C394 VanDerWaalsContact C-N 3.32Å; G392-C394 PolarHBondContact O-N 3.15Å; G392-K395 PolarHBondContact O-N 2.96Å; G392-A396 PolarHBondContact O-N 3.43Å
393	H	94.1	Very high	95.8	Very high	128 Å²	128	49.5 Å²	49.5	59%	0.593	27%	0.27	S	S	*	.	H	α-helix	trans	-65.4	-33.8	176.9	-62.9	163.9	0	0	0	112.4	C391 L397	C391-H393 PolarHBondContact O-N 3.08Å; H393-L397 WeakPolarHBondContact O-CB 3.19Å; H393-L397 PolarHBondContact O-N 3.36Å; H393-L397 VanDerWaalsContact O-N 3.08Å
394	C	96	Very high	95.8	Very high	6 Å²	6	49.5 Å²	49.5	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-40.8	174.9	-64	0	0	0	0	112.2	Y387 C391 G392 L397 A398 P434	Y387-C394 VanDerWaalsContact CB-SG 3.55Å; C391-C394 HydrophobicContact CB-CB 3.93Å; C391-C394 VanDerWaalsContact CB-SG 3.51Å; C391-C394 WeakPolarHBondContact O-CB 3.36Å; C391-C394 PolarHBondContact O-N 3.5Å; C391-C394 PolarHBondContact SG-SG 2.89Å; G392-C394 VanDerWaalsContact C-N 3.32Å; G392-C394 PolarHBondContact O-N 3.15Å; C394-L397 PolarHBondContact O-N 3Å; C394-A398 PolarHBondContact O-N 2.87Å; C394-A398 VanDerWaalsContact O-N 3.12Å; C394-P434 VanDerWaalsContact SG-CD 3.58Å; C394-P434 VanDerWaalsContact SG-N 3.42Å
395	K	96.8	Very high	95.8	Very high	132 Å²	132	49.5 Å²	49.5	57%	0.574	27%	0.27	S	S	*	.	H	α-helix	trans	-64	-44.1	175.9	-67.4	177.4	-174.5	178.4	0	111.2	P389 C391 G392 L397 A398	P389-K395 WeakPolarHBondContact O-CE 3.35Å; C391-K395 PolarHBondContact O-N 3.01Å; C391-K395 VanDerWaalsContact O-N 3.12Å; G392-K395 PolarHBondContact O-N 2.96Å; K395-L397 VanDerWaalsContact C-N 3.32Å; K395-L397 PolarHBondContact O-N 3.4Å; K395-A398 WeakPolarHBondContact O-CB 3.34Å; K395-A398 PolarHBondContact O-N 2.78Å
396	A	97.1	Very high	95.8	Very high	76 Å²	76	54 Å²	54	63%	0.628	29%	0.291	S	S	*	.	H	α-helix	trans	-62.8	-37	177	0	0	0	0	0	112.7	G392 A398	G392-A396 PolarHBondContact O-N 3.43Å; A396-A398 VanDerWaalsContact C-N 3.33Å
397	L	98.1	Very high	95.7	Very high	7 Å²	7	57 Å²	57	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-76	-16.7	176.7	-178.3	56.2	0	0	0	113.4	K385 H393 C394 K395 V400 W401 P434 L436 R453 L458	K385-L397 HydrophobicContact CD-CD2 3.76Å; K385-L397 HydrophobicContact CD-CG 4.06Å; K385-L397 HydrophobicContact CG-CD2 4.37Å; H393-L397 WeakPolarHBondContact O-CB 3.19Å; H393-L397 PolarHBondContact O-N 3.36Å; H393-L397 VanDerWaalsContact O-N 3.08Å; C394-L397 PolarHBondContact O-N 3Å; K395-L397 VanDerWaalsContact C-N 3.32Å; K395-L397 PolarHBondContact O-N 3.4Å; L397-V400 HydrophobicContact CD1-CB 4.19Å; L397-V400 HydrophobicContact CD1-CG1 4.31Å; L397-V400 PolarHBondContact O-N 3.49Å; L397-W401 HydrophobicContact CD1-CE3 4.27Å; L397-W401 HydrophobicContact CD2-CE3 4.19Å; L397-W401 HydrophobicContact CG-CE3 4.25Å; L397-W401 WeakPolarHBondContact O-CB 3.26Å; L397-W401 PolarHBondContact O-N 2.98Å; L397-P434 HydrophobicContact CD2-CB 4.22Å; L397-P434 HydrophobicContact CD2-CG 3.84Å; L397-L436 HydrophobicContact CD2-CD1 4.1Å; L397-L436 HydrophobicContact CD2-CD2 3.92Å; L397-R453 HydrophobicContact CD1-CB 4.14Å; L397-L458 HydrophobicContact CD1-CD1 3.91Å
398	A	97.8	Very high	95.7	Very high	31 Å²	31	55.1 Å²	55.1	26%	0.256	30%	0.303	S	S	.	.	H	α-helix	trans	-58.6	-49.2	-172.2	0	0	0	0	0	114.2	C394 K395 A396 V400 W401 D402	C394-A398 PolarHBondContact O-N 2.87Å; C394-A398 VanDerWaalsContact O-N 3.12Å; K395-A398 WeakPolarHBondContact O-CB 3.34Å; K395-A398 PolarHBondContact O-N 2.78Å; A396-A398 VanDerWaalsContact C-N 3.33Å; A398-V400 PolarHBondContact O-N 3Å; A398-W401 WeakPolarHBondContact O-CB 3.38Å; A398-W401 PolarHBondContact O-N 3.41Å; A398-D402 PolarHBondContact O-N 2.87Å
399	P	97.9	Very high	95.8	Very high	86 Å²	86	60.5 Å²	60.5	56%	0.558	33%	0.326	S	S	*	.	H	α-helix	trans	-62.8	-41.8	179.9	-21.7	34	0	0	0	113	W401 D402 E403	P399-W401 VanDerWaalsContact C-N 3.29Å; P399-W401 PolarHBondContact O-N 2.95Å; P399-D402 PolarHBondContact O-N 3.29Å; P399-E403 PolarHBondContact O-N 3.27Å
400	V	98.5	Very high	95.8	Very high	32 Å²	32	64.8 Å²	64.8	19%	0.194	35%	0.346	C	S	.	.	H	α-helix	trans	-62.8	-39	177.2	175.9	0	0	0	0	110.9	L397 A398 E403 L404 F455 L458	L397-V400 HydrophobicContact CD1-CB 4.19Å; L397-V400 HydrophobicContact CD1-CG1 4.31Å; L397-V400 PolarHBondContact O-N 3.49Å; A398-V400 PolarHBondContact O-N 3Å; V400-E403 PolarHBondContact O-N 3.24Å; V400-L404 WeakPolarHBondContact O-CB 3.47Å; V400-L404 PolarHBondContact O-N 3.23Å; V400-F455 HydrophobicContact CG1-CB 3.95Å; V400-L458 HydrophobicContact CG1-CD1 3.86Å
401	W	98.5	Very high	96.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-68.6	-38.7	178.2	-156.8	-95.3	0	0	0	112.5	V363 F383 K385 L397 A398 P399 L404 G405 I415 A416 L436 L458	V363-W401 WeakPolarHBondContact CG2-O 3.48Å; F383-W401 AromaticContact CD1-CH2 3.52Å; F383-W401 HydrophobicContact CD1-CH2 3.52Å; F383-W401 HydrophobicContact CD1-CZ2 4.24Å; F383-W401 HydrophobicContact CD1-CZ3 4.1Å; F383-W401 HydrophobicContact CD2-CH2 4.05Å; F383-W401 AromaticContact CE1-CH2 3.59Å; F383-W401 HydrophobicContact CE1-CH2 3.59Å; F383-W401 AromaticContact CE1-CZ3 3.79Å; F383-W401 HydrophobicContact CE1-CZ3 3.79Å; F383-W401 HydrophobicContact CE2-CH2 4.1Å; F383-W401 AromaticContact CG-CH2 3.77Å; F383-W401 HydrophobicContact CG-CH2 3.77Å; F383-W401 HydrophobicContact CG-CZ2 4.28Å; F383-W401 AromaticContact CZ-CH2 3.88Å; F383-W401 HydrophobicContact CZ-CH2 3.88Å; F383-W401 HydrophobicContact CZ-CZ3 4.15Å; K385-W401 HydrophobicContact CB-CD2 3.75Å; K385-W401 HydrophobicContact CB-CE3 4.19Å; K385-W401 HydrophobicContact CB-CG 4.34Å; K385-W401 HydrophobicContact CB-CH2 3.91Å; K385-W401 HydrophobicContact CB-CZ2 3.44Å; K385-W401 VanDerWaalsContact CB-CZ2 3.44Å; K385-W401 HydrophobicContact CB-CZ3 4.26Å; K385-W401 HydrophobicContact CD-CB 4.39Å; K385-W401 HydrophobicContact CD-CD2 3.93Å; K385-W401 HydrophobicContact CD-CE3 4.26Å; K385-W401 HydrophobicContact CD-CG 3.96Å; K385-W401 HydrophobicContact CG-CD2 4.42Å; K385-W401 VanDerWaalsContact N-CZ2 3.3Å; L397-W401 HydrophobicContact CD1-CE3 4.27Å; L397-W401 HydrophobicContact CD2-CE3 4.19Å; L397-W401 HydrophobicContact CG-CE3 4.25Å; L397-W401 WeakPolarHBondContact O-CB 3.26Å; L397-W401 PolarHBondContact O-N 2.98Å; A398-W401 WeakPolarHBondContact O-CB 3.38Å; A398-W401 PolarHBondContact O-N 3.41Å; P399-W401 VanDerWaalsContact C-N 3.29Å; P399-W401 PolarHBondContact O-N 2.95Å; W401-L404 HydrophobicContact CE3-CD2 4.42Å; W401-L404 HydrophobicContact CZ3-CD2 4.38Å; W401-L404 WeakPolarHBondContact O-CB 3.35Å; W401-L404 PolarHBondContact O-N 2.84Å; W401-G405 PolarHBondContact O-N 2.9Å; W401-I415 HydrophobicContact CD2-CG2 4.4Å; W401-I415 HydrophobicContact CG-CG2 4.5Å; W401-I415 HydrophobicContact CZ2-CG2 4.1Å; W401-A416 PolarHBondContact NE1-O 2.91Å; W401-L436 HydrophobicContact CE3-CD2 4.44Å; W401-L436 HydrophobicContact CH2-CD2 3.87Å; W401-L436 HydrophobicContact CZ3-CD1 3.96Å; W401-L436 HydrophobicContact CZ3-CD2 3.74Å; W401-L436 HydrophobicContact CZ3-CG 4.42Å; W401-L458 HydrophobicContact CE3-CD1 4.33Å; W401-L458 HydrophobicContact CZ3-CD1 4.34Å
402	D	98.2	Very high	96.5	Very high	70 Å²	70	62 Å²	62	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-67.7	-40.2	176.3	-65.7	-26.8	0	0	0	110.9	A398 P399 G405 E406 K417	A398-D402 PolarHBondContact O-N 2.87Å; P399-D402 PolarHBondContact O-N 3.29Å; D402-G405 PolarHBondContact O-N 3.42Å; D402-E406 PolarHBondContact O-N 2.81Å; D402-K417 IonicContact OD1-NZ 3.13Å
403	E	98.3	Very high	96.7	Very high	102 Å²	102	60.5 Å²	60.5	48%	0.477	33%	0.328	S	S	.	.	H	α-helix	trans	-63	-39.7	172.7	-169.4	179.9	-176.8	0	0	112.6	P399 V400 G405 E406 T407 F455	P399-E403 PolarHBondContact O-N 3.27Å; V400-E403 PolarHBondContact O-N 3.24Å; E403-G405 VanDerWaalsContact C-N 3.34Å; E403-E406 PolarHBondContact O-N 2.88Å; E403-T407 PolarHBondContact O-N 3.45Å; E403-T407 PolarHBondContact O-OG1 2.85Å; E403-F455 HydrophobicContact CB-CD2 4.13Å; E403-F455 HydrophobicContact CB-CE2 4.14Å; E403-F455 HydrophobicContact CG-CD2 3.85Å; E403-F455 HydrophobicContact CG-CE2 3.59Å; E403-F455 HydrophobicContact CG-CZ 4.19Å
404	L	98.3	Very high	96.9	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-43.8	173.4	-165.3	71.6	0	0	0	110.9	F383 V400 W401 E406 T407 F408 I415 F455 L458 K459 V462	F383-L404 HydrophobicContact CD1-CD2 3.95Å; F383-L404 HydrophobicContact CE1-CD2 4.21Å; V400-L404 WeakPolarHBondContact O-CB 3.47Å; V400-L404 PolarHBondContact O-N 3.23Å; W401-L404 HydrophobicContact CE3-CD2 4.42Å; W401-L404 HydrophobicContact CZ3-CD2 4.38Å; W401-L404 WeakPolarHBondContact O-CB 3.35Å; W401-L404 PolarHBondContact O-N 2.84Å; L404-E406 PolarHBondContact O-N 3.01Å; L404-T407 WeakPolarHBondContact O-CB 3.49Å; L404-T407 PolarHBondContact O-N 2.76Å; L404-F408 HydrophobicContact CD1-CD2 4.03Å; L404-F408 HydrophobicContact CD1-CE2 3.63Å; L404-F408 HydrophobicContact CG-CD2 4.11Å; L404-F408 HydrophobicContact CG-CE2 4.19Å; L404-F408 WeakPolarHBondContact O-CD2 3.42Å; L404-F408 PolarHBondContact O-N 2.77Å; L404-F408 VanDerWaalsContact O-N 3.13Å; L404-I415 HydrophobicContact CD2-CD1 3.94Å; L404-I415 HydrophobicContact CD2-CG2 4.42Å; L404-I415 HydrophobicContact CG-CD1 4.04Å; L404-I415 HydrophobicContact CG-CG1 4.25Å; L404-F455 HydrophobicContact CD1-CE2 4.36Å; L404-L458 HydrophobicContact CD1-CB 4.26Å; L404-L458 HydrophobicContact CD2-CB 4.07Å; L404-K459 HydrophobicContact CD1-CB 4.07Å; L404-V462 HydrophobicContact CD2-CG2 4.44Å
405	G	98.2	Very high	97	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-56.1	-50.2	173.2	0	0	0	0	0	112.4	A362 W401 D402 E403 T407 F408 K409	A362-G405 WeakPolarHBondContact O-CA 3.36Å; W401-G405 PolarHBondContact O-N 2.9Å; D402-G405 PolarHBondContact O-N 3.42Å; E403-G405 VanDerWaalsContact C-N 3.34Å; G405-T407 PolarHBondContact O-N 3.23Å; G405-F408 PolarHBondContact O-N 2.83Å; G405-K409 PolarHBondContact O-N 3.14Å
406	E	98	Very high	97.1	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	28%	0.281	S	S	.	.	H	α-helix	trans	-59.5	-35.8	178	-75.4	-62.6	148.4	0	0	112.9	A362 D402 E403 L404 K409	A362-E406 HydrophobicContact CB-CG 4.06Å; A362-E406 WeakPolarHBondContact CB-OE1 3.44Å; D402-E406 PolarHBondContact O-N 2.81Å; E403-E406 PolarHBondContact O-N 2.88Å; L404-E406 PolarHBondContact O-N 3.01Å; E406-K409 WeakPolarHBondContact O-CG 3.48Å; E406-K409 WeakPolarHBondContact OE2-CD 3.46Å; E406-K409 WeakPolarHBondContact OE2-CE 3.19Å; E406-K409 IonicContact OE2-NZ 2.7Å; E406-K409 PolarHBondContact OE2-NZ 3.13Å
407	T	98.1	Very high	97.2	Very high	64 Å²	64	48.4 Å²	48.4	39%	0.393	26%	0.262	S	S	.	.	H	α-helix	trans	-65.5	-41.6	177.9	-59.8	0	0	0	0	112	E403 L404 G405 F455 K459	E403-T407 PolarHBondContact O-N 3.45Å; E403-T407 PolarHBondContact O-OG1 2.85Å; L404-T407 WeakPolarHBondContact O-CB 3.49Å; L404-T407 PolarHBondContact O-N 2.76Å; G405-T407 PolarHBondContact O-N 3.23Å; T407-F455 WeakPolarHBondContact OG1-CZ 3.31Å; T407-K459 HydrophobicContact CG2-CD 4.47Å
408	F	97.2	Very high	97.2	Very high	18 Å²	18	48.1 Å²	48.1	8%	0.079	26%	0.26	C	S	.	.	H	α-helix	trans	-98.9	-1.9	-174.3	-71.8	-77	0	0	0	114.9	L404 G405 N410 S411 T413 I415 K459 V462 E463	L404-F408 HydrophobicContact CD1-CD2 4.03Å; L404-F408 HydrophobicContact CD1-CE2 3.63Å; L404-F408 HydrophobicContact CG-CD2 4.11Å; L404-F408 HydrophobicContact CG-CE2 4.19Å; L404-F408 WeakPolarHBondContact O-CD2 3.42Å; L404-F408 PolarHBondContact O-N 2.77Å; L404-F408 VanDerWaalsContact O-N 3.13Å; G405-F408 PolarHBondContact O-N 2.83Å; F408-N410 PolarHBondContact O-N 2.81Å; F408-S411 WeakPolarHBondContact O-CB 3.3Å; F408-S411 PolarHBondContact O-N 2.71Å; F408-S411 PolarHBondContact O-OG 2.97Å; F408-T413 HydrophobicContact CB-CG2 4.38Å; F408-T413 HydrophobicContact CD1-CG2 4.32Å; F408-T413 HydrophobicContact CG-CG2 4.31Å; F408-I415 HydrophobicContact CB-CD1 4.49Å; F408-I415 HydrophobicContact CB-CG1 4.02Å; F408-I415 HydrophobicContact CD2-CD1 4.15Å; F408-I415 HydrophobicContact CD2-CG1 4.25Å; F408-I415 HydrophobicContact CG-CG1 4.5Å; F408-K459 HydrophobicContact CE2-CG 4.24Å; F408-K459 HydrophobicContact CZ-CG 4.14Å; F408-V462 HydrophobicContact CD1-CG1 4Å; F408-V462 HydrophobicContact CD2-CG1 4.15Å; F408-V462 HydrophobicContact CE1-CB 4.39Å; F408-V462 HydrophobicContact CE1-CG1 3.54Å; F408-V462 HydrophobicContact CE2-CB 3.99Å; F408-V462 HydrophobicContact CE2-CG1 3.72Å; F408-V462 HydrophobicContact CE2-CG2 4.5Å; F408-V462 HydrophobicContact CG-CG1 4.3Å; F408-V462 HydrophobicContact CZ-CB 3.78Å; F408-V462 HydrophobicContact CZ-CG1 3.39Å; F408-E463 HydrophobicContact CE1-CG 4.17Å; F408-E463 HydrophobicContact CZ-CG 3.93Å
409	K	94.4	Very high	97.1	Very high	113 Å²	113	47.6 Å²	47.6	49%	0.491	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-28.5	-172.7	72.6	-175.9	175	-171.6	0	116.4	A362 G405 E406	A362-K409 HydrophobicContact CB-CB 4.1Å; A362-K409 HydrophobicContact CB-CD 4.46Å; G405-K409 PolarHBondContact O-N 3.14Å; E406-K409 WeakPolarHBondContact O-CG 3.48Å; E406-K409 WeakPolarHBondContact OE2-CD 3.46Å; E406-K409 WeakPolarHBondContact OE2-CE 3.19Å; E406-K409 IonicContact OE2-NZ 2.7Å; E406-K409 PolarHBondContact OE2-NZ 3.13Å
410	N	90.9	Very high	97	Very high	153 Å²	153	44.4 Å²	44.4	82%	0.818	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107	19.8	-178.9	-64.8	-35	0	0	0	112.9	F408	F408-N410 PolarHBondContact O-N 2.81Å
411	S	93.7	Very high	96.6	Very high	48 Å²	48	45.5 Å²	45.5	34%	0.336	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-177.8	-177.2	75.9	0	0	0	0	112.3	F408 T413	F408-S411 WeakPolarHBondContact O-CB 3.3Å; F408-S411 PolarHBondContact O-N 2.71Å; F408-S411 PolarHBondContact O-OG 2.97Å; S411-T413 PolarHBondContact O-N 2.89Å; S411-T413 WeakPolarHBondContact OG-CB 3.32Å; S411-T413 PolarHBondContact OG-N 3.03Å; S411-T413 VanDerWaalsContact OG-N 3.11Å
412	D	93.7	Very high	96.3	Very high	88 Å²	88	47.8 Å²	47.8	47%	0.471	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	18.7	169.7	-69.1	-34.2	0	0	0	113.3	K380 D381	K380-D412 VanDerWaalsContact CA-O 3.31Å; K380-D412 WeakPolarHBondContact CA-O 3.46Å; K380-D412 HydrophobicContact CD-CB 4.1Å; K380-D412 WeakPolarHBondContact CD-O 3.41Å; K380-D412 IonicContact NZ-OD1 2.69Å; K380-D412 PolarHBondContact NZ-OD1 3.28Å; D381-D412 PolarHBondContact N-O 3.22Å
413	T	97.4	Very high	96.1	Very high	18 Å²	18	44.6 Å²	44.6	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.1	177.4	-55.9	0	0	0	0	111.2	D381 F408 S411 I415 V462	D381-T413 HydrophobicContact CB-CG2 4.23Å; D381-T413 CarbonylContact O-C 3.48Å; D381-T413 VanDerWaalsContact O-CA 3.24Å; D381-T413 WeakPolarHBondContact O-CA 3.43Å; F408-T413 HydrophobicContact CB-CG2 4.38Å; F408-T413 HydrophobicContact CD1-CG2 4.32Å; F408-T413 HydrophobicContact CG-CG2 4.31Å; S411-T413 PolarHBondContact O-N 2.89Å; S411-T413 WeakPolarHBondContact OG-CB 3.32Å; S411-T413 PolarHBondContact OG-N 3.03Å; S411-T413 VanDerWaalsContact OG-N 3.11Å; T413-I415 HydrophobicContact CG2-CD1 3.91Å; T413-V462 HydrophobicContact CG2-CG1 3.6Å
414	V	97.8	Very high	95.9	Very high	34 Å²	34	42.6 Å²	42.6	21%	0.206	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.6	172.4	-180	0	0	0	0	108.9	K364 V374 K380 D381 V382 F383 A416	K364-V414 HydrophobicContact CB-CG1 4.02Å; K364-V414 HydrophobicContact CD-CG1 4.02Å; V374-V414 HydrophobicContact CG1-CG1 4.18Å; K380-V414 HydrophobicContact CB-CG2 4.23Å; K380-V414 HydrophobicContact CG-CG2 4.35Å; D381-V414 PolarHBondContact O-N 3.5Å; V382-V414 WeakPolarHBondContact CA-O 3.04Å; V382-V414 HydrophobicContact CG1-CB 4.22Å; V382-V414 HydrophobicContact CG1-CG1 4.35Å; V382-V414 HydrophobicContact CG2-CB 4.22Å; F383-V414 PolarHBondContact N-O 3.21Å; V414-A416 HydrophobicContact CG1-CB 4.37Å
415	I	98.6	Very high	95.7	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.7	167.3	-54.4	-55.7	0	0	0	107.7	V363 K364 F383 W401 L404 F408 T413 V462	V363-I415 CarbonylContact C-O 3.48Å; V363-I415 WeakPolarHBondContact CA-O 3.42Å; V363-I415 HydrophobicContact CG1-CG2 4.46Å; V363-I415 HydrophobicContact CG2-CG2 4.16Å; K364-I415 PolarHBondContact N-O 3.17Å; F383-I415 HydrophobicContact CB-CD1 3.93Å; F383-I415 HydrophobicContact CD1-CD1 4.44Å; W401-I415 HydrophobicContact CD2-CG2 4.4Å; W401-I415 HydrophobicContact CG-CG2 4.5Å; W401-I415 HydrophobicContact CZ2-CG2 4.1Å; L404-I415 HydrophobicContact CD2-CD1 3.94Å; L404-I415 HydrophobicContact CD2-CG2 4.42Å; L404-I415 HydrophobicContact CG-CD1 4.04Å; L404-I415 HydrophobicContact CG-CG1 4.25Å; F408-I415 HydrophobicContact CB-CD1 4.49Å; F408-I415 HydrophobicContact CB-CG1 4.02Å; F408-I415 HydrophobicContact CD2-CD1 4.15Å; F408-I415 HydrophobicContact CD2-CG1 4.25Å; F408-I415 HydrophobicContact CG-CG1 4.5Å; T413-I415 HydrophobicContact CG2-CD1 3.91Å; I415-V462 HydrophobicContact CD1-CG2 4.38Å
416	A	98.4	Very high	95.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.4	-172	0	0	0	0	0	112.8	K364 L366 F383 V384 K385 W401 V414	K364-A416 HydrophobicContact CB-CB 4.23Å; K364-A416 CarbonylContact O-C 3.59Å; K364-A416 WeakPolarHBondContact O-CA 3.44Å; L366-A416 HydrophobicContact CD1-CB 3.74Å; L366-A416 HydrophobicContact CD2-CB 4.37Å; L366-A416 HydrophobicContact CG-CB 3.87Å; F383-A416 PolarHBondContact O-N 2.93Å; V384-A416 WeakPolarHBondContact CA-O 3.41Å; V384-A416 HydrophobicContact CG2-CB 4.31Å; K385-A416 PolarHBondContact N-O 3.34Å; W401-A416 PolarHBondContact NE1-O 2.91Å; V414-A416 HydrophobicContact CG1-CB 4.37Å
417	K	98.5	Very high	94.6	Very high	50 Å²	50	51 Å²	51	22%	0.217	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.1	174.4	65.7	-172.7	170.3	-167.9	0	111.3	V363 K364 L366 K385 Y387 D402	V363-K417 HydrophobicContact CG1-CB 4.12Å; V363-K417 HydrophobicContact CG1-CD 3.82Å; V363-K417 HydrophobicContact CG1-CG 3.77Å; K364-K417 PolarHBondContact O-N 2.62Å; L366-K417 PolarHBondContact N-O 2.88Å; K385-K417 HydrophobicContact CB-CB 4.45Å; K385-K417 CarbonylContact O-C 3.41Å; K385-K417 VanDerWaalsContact O-CA 3.27Å; K385-K417 WeakPolarHBondContact O-CA 3.28Å; Y387-K417 HydrophobicContact CD1-CB 4.22Å; Y387-K417 HydrophobicContact CE1-CB 3.98Å; Y387-K417 HydrophobicContact CE1-CD 4.4Å; Y387-K417 HydrophobicContact CE1-CG 4.17Å; D402-K417 IonicContact OD1-NZ 3.13Å
418	M	98.1	Very high	94.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	131.4	173.7	-171.6	165.6	73.5	0	0	110	L366 Y371 K385 L386 Y387 A420 N423 V425 L428	L366-M418 HydrophobicContact CB-CB 4.08Å; L366-M418 HydrophobicContact CB-CG 4.42Å; L366-M418 HydrophobicContact CB-SD 4.38Å; L366-M418 WeakPolarHBondContact O-CG 3.05Å; Y371-M418 HydrophobicContact CD2-CE 3.6Å; Y371-M418 HydrophobicContact CD2-SD 3.49Å; Y371-M418 WeakPolarHBondContact CD2-SD 3.15Å; Y371-M418 HydrophobicContact CE2-CE 3.73Å; Y371-M418 HydrophobicContact CE2-SD 4.14Å; Y371-M418 HydrophobicContact CG-CE 4.42Å; Y371-M418 HydrophobicContact CG-SD 4.29Å; K385-M418 PolarHBondContact O-N 2.91Å; L386-M418 WeakPolarHBondContact CA-O 3.39Å; L386-M418 HydrophobicContact CD2-CB 4Å; L386-M418 HydrophobicContact CD2-CE 3.68Å; Y387-M418 VanDerWaalsContact CD1-C 3.46Å; Y387-M418 WeakPolarHBondContact CD1-O 3.28Å; Y387-M418 WeakPolarHBondContact CE1-O 3.27Å; Y387-M418 PolarHBondContact N-O 2.96Å; M418-A420 PolarHBondContact O-N 2.62Å; M418-N423 HydrophobicContact CE-CB 4.35Å; M418-N423 HydrophobicContact CG-CB 3.77Å; M418-N423 HydrophobicContact SD-CB 3.65Å; M418-V425 HydrophobicContact CE-CG2 4.14Å; M418-L428 HydrophobicContact CE-CD2 3.55Å
419	D	96.8	Very high	93.8	Very high	19 Å²	19	54.5 Å²	54.5	10%	0.102	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	103.9	166	-175.7	-14.2	0	0	0	108.4	Y387 P389 T421 V422 N423	Y387-D419 HydrophobicContact CE1-CB 4.22Å; Y387-D419 HydrophobicContact CE2-CB 4.28Å; Y387-D419 WeakPolarHBondContact O-CA 3.43Å; P389-D419 WeakPolarHBondContact CD-OD1 3.36Å; P389-D419 WeakPolarHBondContact CD-OD2 3.18Å; P389-D419 WeakPolarHBondContact CG-OD2 3.23Å; D419-T421 VanDerWaalsContact CG-OG1 3.31Å; D419-T421 PolarHBondContact O-N 3.41Å; D419-T421 VanDerWaalsContact OD1-CB 3.3Å; D419-T421 WeakPolarHBondContact OD1-CB 3.49Å; D419-T421 PolarHBondContact OD1-N 3.47Å; D419-T421 PolarHBondContact OD1-OG1 2.76Å; D419-T421 PolarHBondContact OD2-OG1 3.41Å; D419-V422 HydrophobicContact CB-CG2 4.05Å; D419-N423 VanDerWaalsContact O-CB 3.31Å; D419-N423 WeakPolarHBondContact O-CB 3.29Å; D419-N423 PolarHBondContact O-N 2.75Å; D419-N423 PolarHBondContact O-ND2 3.46Å
420	A	95.5	Very high	93.6	Very high	19 Å²	19	51 Å²	51	16%	0.157	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	9	-178.3	0	0	0	0	0	112.9	L386 Y387 M418 V430 F433	L386-A420 HydrophobicContact CB-CB 4.43Å; Y387-A420 PolarHBondContact O-N 3.5Å; M418-A420 PolarHBondContact O-N 2.62Å; A420-V430 HydrophobicContact CB-CB 4.35Å; A420-V430 HydrophobicContact CB-CG1 4.31Å; A420-V430 HydrophobicContact CB-CG2 4.05Å; A420-F433 HydrophobicContact CB-CE1 3.84Å; A420-F433 HydrophobicContact CB-CZ 4.27Å
421	T	89.5	Confident	93.5	Very high	56 Å²	56	50.3 Å²	50.3	34%	0.344	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-22.1	170.1	68.5	0	0	0	0	112.6	A388 D419 F433	A388-T421 HydrophobicContact CB-CG2 3.41Å; A388-T421 VanDerWaalsContact CB-CG2 3.41Å; D419-T421 VanDerWaalsContact CG-OG1 3.31Å; D419-T421 PolarHBondContact O-N 3.41Å; D419-T421 VanDerWaalsContact OD1-CB 3.3Å; D419-T421 WeakPolarHBondContact OD1-CB 3.49Å; D419-T421 PolarHBondContact OD1-N 3.47Å; D419-T421 PolarHBondContact OD1-OG1 2.76Å; D419-T421 PolarHBondContact OD2-OG1 3.41Å; T421-F433 HydrophobicContact CG2-CE2 4.5Å; T421-F433 HydrophobicContact CG2-CZ 4.21Å
422	V	92.1	Very high	93.4	Very high	48 Å²	48	51.2 Å²	51.2	29%	0.291	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.2	3	-179	-64.4	0	0	0	0	113.3	E353 D419	E353-V422 VanDerWaalsContact CD-CG2 3.5Å; E353-V422 HydrophobicContact CG-CB 4.37Å; E353-V422 HydrophobicContact CG-CG2 3.88Å; E353-V422 WeakPolarHBondContact OE2-CG2 3.37Å; D419-V422 HydrophobicContact CB-CG2 4.05Å
423	N	95.1	Very high	93.5	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.016	27%	0.266	C	S	.	.			trans	-132.5	124.7	176.5	-62.3	-79	0	0	0	111.1	M351 S352 E353 V367 G368 M418 D419	M351-N423 CarbonylContact O-C 3.5Å; M351-N423 WeakPolarHBondContact O-CA 3.25Å; S352-N423 WeakPolarHBondContact CA-OD1 3.37Å; S352-N423 PolarHBondContact OG-OD1 2.85Å; E353-N423 PolarHBondContact N-OD1 3.42Å; E353-N423 PolarHBondContact OE2-ND2 3.18Å; V367-N423 VanDerWaalsContact CA-OD1 3.26Å; V367-N423 WeakPolarHBondContact CA-OD1 3.38Å; V367-N423 WeakPolarHBondContact CB-OD1 3.48Å; G368-N423 PolarHBondContact N-OD1 3.13Å; G368-N423 VanDerWaalsContact N-OD1 3.15Å; M418-N423 HydrophobicContact CE-CB 4.35Å; M418-N423 HydrophobicContact CG-CB 3.77Å; M418-N423 HydrophobicContact SD-CB 3.65Å; D419-N423 VanDerWaalsContact O-CB 3.31Å; D419-N423 WeakPolarHBondContact O-CB 3.29Å; D419-N423 PolarHBondContact O-N 2.75Å; D419-N423 PolarHBondContact O-ND2 3.46Å
424	E	94	Very high	93.5	Very high	60 Å²	60	48.4 Å²	48.4	28%	0.28	26%	0.261	S	S	.	.			trans	-118.6	148.8	179.9	-65	169.8	151.5	0	0	109.9	K321 L350 M351	K321-E424 IonicContact NZ-OE1 2.76Å; K321-E424 PolarHBondContact NZ-OE1 2.76Å; K321-E424 IonicContact NZ-OE2 3.62Å; L350-E424 HydrophobicContact CB-CB 4.03Å; L350-E424 HydrophobicContact CD2-CB 3.99Å; M351-E424 HydrophobicContact CB-CG 4.28Å; M351-E424 PolarHBondContact N-OE2 3.38Å; M351-E424 PolarHBondContact O-N 2.84Å
425	V	94.1	Very high	93.5	Very high	12 Å²	12	47.7 Å²	47.7	7%	0.073	26%	0.257	C	S	.	.			trans	-140.5	135.7	179.3	179.6	0	0	0	0	108.5	Y371 M418 D427 L428	Y371-V425 HydrophobicContact CD1-CB 4.46Å; Y371-V425 HydrophobicContact CD1-CG1 4.02Å; Y371-V425 HydrophobicContact CD1-CG2 3.97Å; Y371-V425 HydrophobicContact CD2-CG2 4.36Å; Y371-V425 HydrophobicContact CG-CG2 3.75Å; M418-V425 HydrophobicContact CE-CG2 4.14Å; V425-D427 VanDerWaalsContact C-N 3.3Å; V425-D427 PolarHBondContact O-N 3.07Å; V425-D427 VanDerWaalsContact O-N 3.14Å; V425-L428 HydrophobicContact CB-CB 3.74Å; V425-L428 HydrophobicContact CB-CD2 4.2Å; V425-L428 HydrophobicContact CG1-CB 4.23Å; V425-L428 HydrophobicContact CG2-CD2 4.27Å; V425-L428 PolarHBondContact O-N 3.42Å
426	E	88	Confident	93.5	Very high	136 Å²	136	47.6 Å²	47.6	64%	0.636	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-42.9	-167.7	-164.5	167.8	-172.8	0	0	114	L350	L350-E426 HydrophobicContact CD1-CB 3.83Å; L350-E426 VanDerWaalsContact CD1-N 3.29Å
427	D	85.6	Confident	93.5	Very high	128 Å²	128	48.8 Å²	48.8	68%	0.684	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	15.5	-177.3	-56.9	-52	0	0	0	113.5	V425	V425-D427 VanDerWaalsContact C-N 3.3Å; V425-D427 PolarHBondContact O-N 3.07Å; V425-D427 VanDerWaalsContact O-N 3.14Å
428	L	91.5	Very high	93.4	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.12	25%	0.252	C	S	.	.			trans	-116.2	102.3	-174.1	-173.1	67	0	0	0	112.1	Y371 L386 M418 V425 V430 K437	Y371-L428 HydrophobicContact CD2-CD2 4.45Å; Y371-L428 HydrophobicContact CE1-CD2 3.97Å; Y371-L428 HydrophobicContact CE2-CD2 3.82Å; L386-L428 HydrophobicContact CD1-CD1 3.8Å; L386-L428 HydrophobicContact CD1-CD2 3.99Å; L386-L428 HydrophobicContact CD1-CG 4.17Å; L386-L428 HydrophobicContact CD2-CD2 3.89Å; M418-L428 HydrophobicContact CE-CD2 3.55Å; V425-L428 HydrophobicContact CB-CB 3.74Å; V425-L428 HydrophobicContact CB-CD2 4.2Å; V425-L428 HydrophobicContact CG1-CB 4.23Å; V425-L428 HydrophobicContact CG2-CD2 4.27Å; V425-L428 PolarHBondContact O-N 3.42Å; L428-V430 HydrophobicContact CD2-CG2 4.41Å; L428-V430 HydrophobicContact CG-CG2 4.11Å; L428-K437 HydrophobicContact CD1-CD 3.61Å
429	K	85.7	Confident	93.4	Very high	131 Å²	131	47.7 Å²	47.7	57%	0.57	26%	0.257	S	S	*	.			trans	-94.5	123	175	-58.5	-178.2	-169	178.8	0	110.6	E318	E318-K429 WeakPolarHBondContact OE1-CE 3.42Å; E318-K429 IonicContact OE1-NZ 3.86Å; E318-K429 PolarHBondContact OE1-NZ 2.56Å; E318-K429 WeakPolarHBondContact OE2-CE 3.45Å; E318-K429 IonicContact OE2-NZ 2.62Å
430	V	91.2	Very high	93.4	Very high	40 Å²	40	47.5 Å²	47.5	24%	0.242	26%	0.257	C	S	.	.			trans	-119.6	102.3	177.9	-172.5	0	0	0	0	109.1	L386 A420 L428 S432 F433	L386-V430 HydrophobicContact CB-CG1 4.36Å; L386-V430 HydrophobicContact CB-CG2 4.29Å; L386-V430 HydrophobicContact CD1-CG2 3.61Å; L386-V430 HydrophobicContact CG-CG2 4.43Å; A420-V430 HydrophobicContact CB-CB 4.35Å; A420-V430 HydrophobicContact CB-CG1 4.31Å; A420-V430 HydrophobicContact CB-CG2 4.05Å; L428-V430 HydrophobicContact CD2-CG2 4.41Å; L428-V430 HydrophobicContact CG-CG2 4.11Å; V430-S432 WeakPolarHBondContact CG1-O 3.45Å; V430-F433 HydrophobicContact CG1-CD1 3.98Å; V430-F433 HydrophobicContact CG1-CE1 3.49Å; V430-F433 VanDerWaalsContact CG1-CE1 3.49Å; V430-F433 HydrophobicContact CG1-CZ 3.89Å
431	T	87.5	Confident	93.4	Very high	138 Å²	138	50.7 Å²	50.7	85%	0.847	27%	0.267	S	S	*	.			trans	-98.2	-16.2	-177.6	55.5	0	0	0	0	113.1
432	S	93	Very high	93.6	Very high	68 Å²	68	54.5 Å²	54.5	48%	0.476	29%	0.285	S	S	.	.	S	Bend	trans	-149	164.4	179	72.2	0	0	0	0	112.2	V430 T435	V430-S432 WeakPolarHBondContact CG1-O 3.45Å; S432-T435 PolarHBondContact O-OG1 2.92Å
433	F	95.6	Very high	93.7	Very high	45 Å²	45	53.9 Å²	53.9	20%	0.197	28%	0.283	C	S	.	.	S	Bend	trans	-130.7	138	-175.1	-66.9	-69.2	0	0	0	112.3	Y387 A388 W390 C391 A420 T421 V430	Y387-F433 WeakPolarHBondContact O-CE1 3.22Å; A388-F433 HydrophobicContact CB-CB 4.35Å; A388-F433 HydrophobicContact CB-CD1 4.03Å; A388-F433 HydrophobicContact CB-CD2 3.72Å; A388-F433 HydrophobicContact CB-CE1 4.17Å; A388-F433 HydrophobicContact CB-CE2 3.91Å; A388-F433 HydrophobicContact CB-CG 3.77Å; A388-F433 HydrophobicContact CB-CZ 4.13Å; W390-F433 HydrophobicContact CH2-CD2 4.21Å; W390-F433 HydrophobicContact CZ2-CD2 4.42Å; W390-F433 HydrophobicContact CZ2-CE2 4.41Å; C391-F433 HydrophobicContact CB-CB 4.04Å; C391-F433 PolarHBondContact SG-O 2.8Å; C391-F433 VanDerWaalsContact SG-O 3.35Å; A420-F433 HydrophobicContact CB-CE1 3.84Å; A420-F433 HydrophobicContact CB-CZ 4.27Å; T421-F433 HydrophobicContact CG2-CE2 4.5Å; T421-F433 HydrophobicContact CG2-CZ 4.21Å; V430-F433 HydrophobicContact CG1-CD1 3.98Å; V430-F433 HydrophobicContact CG1-CE1 3.49Å; V430-F433 VanDerWaalsContact CG1-CE1 3.49Å; V430-F433 HydrophobicContact CG1-CZ 3.89Å
434	P	97.5	Very high	93.5	Very high	1 Å²	1	61 Å²	61	1%	0.006	32%	0.316	C	S	.	.	S	Bend	cis	-70.4	146.6	-14.2	27.9	-31.3	0	0	0	111.4	K385 L386 C394 L397 L436 R453	K385-P434 HydrophobicContact CG-CB 4.24Å; L386-P434 VanDerWaalsContact O-CA 3.25Å; L386-P434 WeakPolarHBondContact O-CA 3.19Å; C394-P434 VanDerWaalsContact SG-CD 3.58Å; C394-P434 VanDerWaalsContact SG-N 3.42Å; L397-P434 HydrophobicContact CD2-CB 4.22Å; L397-P434 HydrophobicContact CD2-CG 3.84Å; P434-L436 HydrophobicContact CB-CD2 4.25Å; P434-R453 VanDerWaalsContact CD-NH1 3.31Å; P434-R453 VanDerWaalsContact CG-NH1 3.31Å; P434-R453 PolarHBondContact O-NH2 2.89Å
435	T	97.8	Very high	93.4	Very high	19 Å²	19	64 Å²	64	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.5	164.3	-68.3	0	0	0	0	108.1	L386 S432 K437	L386-T435 WeakPolarHBondContact CB-O 3.25Å; L386-T435 HydrophobicContact CD1-CG2 4.01Å; L386-T435 PolarHBondContact N-O 3.42Å; L386-T435 PolarHBondContact O-N 2.94Å; S432-T435 PolarHBondContact O-OG1 2.92Å; T435-K437 HydrophobicContact CG2-CG 4.32Å
436	L	98.2	Very high	93.5	Very high	3 Å²	3	66.5 Å²	66.5	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	119.3	-176.2	-57.6	-173.6	0	0	0	109.3	F383 V384 K385 L397 W401 P434 Y449 R453 L458	F383-L436 HydrophobicContact CE2-CB 3.99Å; F383-L436 HydrophobicContact CZ-CB 4.24Å; F383-L436 HydrophobicContact CZ-CD1 4.37Å; V384-L436 WeakPolarHBondContact O-CA 3.38Å; K385-L436 HydrophobicContact CB-CD2 3.7Å; K385-L436 HydrophobicContact CD-CD2 4.49Å; K385-L436 HydrophobicContact CG-CD2 3.71Å; L397-L436 HydrophobicContact CD2-CD1 4.1Å; L397-L436 HydrophobicContact CD2-CD2 3.92Å; W401-L436 HydrophobicContact CE3-CD2 4.44Å; W401-L436 HydrophobicContact CH2-CD2 3.87Å; W401-L436 HydrophobicContact CZ3-CD1 3.96Å; W401-L436 HydrophobicContact CZ3-CD2 3.74Å; W401-L436 HydrophobicContact CZ3-CG 4.42Å; P434-L436 HydrophobicContact CB-CD2 4.25Å; L436-Y449 HydrophobicContact CB-CD1 4.46Å; L436-Y449 HydrophobicContact CD1-CD1 3.84Å; L436-Y449 HydrophobicContact CD1-CE1 4.5Å; L436-Y449 PolarHBondContact O-N 3.29Å; L436-R453 HydrophobicContact CD1-CG 4.43Å; L436-L458 HydrophobicContact CD1-CD2 4.1Å
437	K	97.6	Very high	93.8	Very high	24 Å²	24	61.2 Å²	61.2	10%	0.104	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.7	-178	-77.6	-175.9	-179.3	-67.2	0	111.2	F383 V384 L386 L428 T435 Y439 V446 I447 D448	F383-K437 WeakPolarHBondContact CD2-O 3.42Å; V384-K437 PolarHBondContact N-O 2.84Å; V384-K437 PolarHBondContact O-N 2.88Å; L386-K437 HydrophobicContact CD1-CD 4.21Å; L428-K437 HydrophobicContact CD1-CD 3.61Å; T435-K437 HydrophobicContact CG2-CG 4.32Å; K437-Y439 HydrophobicContact CB-CE2 3.76Å; K437-V446 HydrophobicContact CB-CG1 4.25Å; K437-V446 HydrophobicContact CD-CG1 3.93Å; K437-V446 HydrophobicContact CG-CG1 4.22Å; K437-I447 WeakPolarHBondContact CA-O 3.39Å; K437-D448 WeakPolarHBondContact CE-OD1 3.24Å; K437-D448 WeakPolarHBondContact CG-OD1 3.44Å; K437-D448 IonicContact NZ-OD1 2.85Å; K437-D448 PolarHBondContact NZ-OD1 3.45Å; K437-D448 IonicContact NZ-OD2 2.76Å; K437-D448 PolarHBondContact NZ-OD2 3.11Å
438	F	97.6	Very high	94.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.5	177.2	-172.5	-91.7	0	0	0	110.6	D381 V382 F383 P440 I447 F461 V462 G465	D381-F438 HydrophobicContact CB-CE2 4.23Å; D381-F438 HydrophobicContact CB-CZ 3.76Å; V382-F438 CarbonylContact O-C 3.58Å; V382-F438 WeakPolarHBondContact O-CA 3.25Å; F383-F438 HydrophobicContact CB-CD2 3.75Å; F383-F438 HydrophobicContact CB-CE2 4.28Å; F383-F438 HydrophobicContact CD2-CB 3.83Å; F383-F438 AromaticContact CD2-CD2 3.85Å; F383-F438 HydrophobicContact CD2-CD2 3.85Å; F383-F438 HydrophobicContact CD2-CG 4.36Å; F383-F438 HydrophobicContact CE2-CB 4.21Å; F383-F438 AromaticContact CG-CD2 3.87Å; F383-F438 HydrophobicContact CG-CD2 3.87Å; F438-P440 HydrophobicContact CD1-CB 4.35Å; F438-P440 HydrophobicContact CD1-CG 3.78Å; F438-P440 HydrophobicContact CE1-CB 3.86Å; F438-P440 HydrophobicContact CE1-CG 3.79Å; F438-I447 HydrophobicContact CB-CB 4.31Å; F438-I447 HydrophobicContact CD1-CD1 4.34Å; F438-I447 PolarHBondContact N-O 2.98Å; F438-I447 PolarHBondContact O-N 3.43Å; F438-F461 HydrophobicContact CB-CE1 3.69Å; F438-F461 HydrophobicContact CB-CZ 3.91Å; F438-F461 HydrophobicContact CD2-CE1 4.01Å; F438-F461 AromaticContact CG-CE1 3.9Å; F438-F461 HydrophobicContact CG-CE1 3.9Å; F438-F461 HydrophobicContact CG-CZ 4.22Å; F438-V462 HydrophobicContact CE2-CG2 4.43Å; F438-G465 VanDerWaalsContact CE1-C 3.41Å
439	Y	97.1	Very high	94.4	Very high	28 Å²	28	58 Å²	58	11%	0.11	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	98.8	180	-59.9	-96.8	0	0	0	107	Y371 V375 V382 V384 K437 V446	Y371-Y439 PolarHBondContact OH-OH 3Å; V375-Y439 HydrophobicContact CB-CD1 3.81Å; V375-Y439 HydrophobicContact CB-CD2 3.79Å; V375-Y439 HydrophobicContact CB-CE1 3.92Å; V375-Y439 HydrophobicContact CB-CE2 3.91Å; V375-Y439 HydrophobicContact CB-CG 3.75Å; V375-Y439 HydrophobicContact CG1-CD2 3.87Å; V375-Y439 HydrophobicContact CG1-CE2 3.74Å; V375-Y439 HydrophobicContact CG1-CG 4.36Å; V375-Y439 HydrophobicContact CG2-CD1 4.09Å; V375-Y439 HydrophobicContact CG2-CE1 3.84Å; V375-Y439 HydrophobicContact CG2-CE2 4.49Å; V382-Y439 PolarHBondContact N-O 2.7Å; V382-Y439 PolarHBondContact O-N 3.07Å; V384-Y439 HydrophobicContact CB-CE2 4.48Å; V384-Y439 HydrophobicContact CG2-CD2 4.07Å; V384-Y439 HydrophobicContact CG2-CE2 3.86Å; K437-Y439 HydrophobicContact CB-CE2 3.76Å; Y439-V446 HydrophobicContact CD1-CB 4.5Å; Y439-V446 HydrophobicContact CD1-CG1 4.23Å; Y439-V446 HydrophobicContact CD1-CG2 3.81Å; Y439-V446 HydrophobicContact CE1-CB 4.19Å; Y439-V446 HydrophobicContact CE1-CG1 3.67Å; Y439-V446 HydrophobicContact CE1-CG2 3.49Å; Y439-V446 VanDerWaalsContact CE1-CG2 3.49Å; Y439-V446 HydrophobicContact CE2-CG1 4.45Å
440	P	96.7	Very high	94.8	Very high	16 Å²	16	54.9 Å²	54.9	10%	0.104	30%	0.296	C	S	.	.			trans	-67.9	142.9	-178.9	-12.6	25.8	0	0	0	111.4	D381 F438 S443 E445 I447	D381-P440 WeakPolarHBondContact OD1-CA 3.41Å; F438-P440 HydrophobicContact CD1-CB 4.35Å; F438-P440 HydrophobicContact CD1-CG 3.78Å; F438-P440 HydrophobicContact CE1-CB 3.86Å; F438-P440 HydrophobicContact CE1-CG 3.79Å; P440-S443 PolarHBondContact O-N 3.5Å; P440-E445 WeakPolarHBondContact CD-O 3.47Å; P440-I447 HydrophobicContact CG-CD1 3.79Å; P440-I447 HydrophobicContact CG-CG1 4.42Å
441	K	95.6	Very high	94.9	Very high	85 Å²	85	53.7 Å²	53.7	37%	0.37	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	146.5	170.2	69.8	-171.5	171.5	-155.2	0	110.8	K378 K380 D381 S443	K378-K441 WeakPolarHBondContact O-CB 3.49Å; K380-K441 WeakPolarHBondContact O-CA 3.22Å; K380-K441 WeakPolarHBondContact O-CB 3.4Å; D381-K441 WeakPolarHBondContact OD1-CG 3.46Å; D381-K441 PolarHBondContact OD1-N 3.33Å; D381-K441 WeakPolarHBondContact OD2-CD 3.23Å; D381-K441 WeakPolarHBondContact OD2-CE 3.41Å; D381-K441 IonicContact OD2-NZ 3.36Å; D381-K441 PolarHBondContact OD2-NZ 3.09Å; K441-S443 PolarHBondContact O-N 2.86Å; K441-S443 VanDerWaalsContact O-N 3.12Å
442	N	94.5	Very high	95.3	Very high	137 Å²	137	51.9 Å²	51.9	73%	0.733	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	22.1	-177.6	-49.2	-63.6	0	0	0	114.9	K378	K378-N442 PolarHBondContact O-N 3.47Å; K378-N442 PolarHBondContact O-OD1 3.16Å
443	S	93.2	Very high	95.4	Very high	34 Å²	34	52.9 Å²	52.9	24%	0.238	27%	0.27	C	S	.	.			trans	-127.9	149.8	176.8	-170.6	0	0	0	0	111.5	K378 P440 K441 E445	K378-S443 PolarHBondContact NZ-O 3.21Å; P440-S443 PolarHBondContact O-N 3.5Å; K441-S443 PolarHBondContact O-N 2.86Å; K441-S443 VanDerWaalsContact O-N 3.12Å; S443-E445 VanDerWaalsContact OG-CB 3.29Å; S443-E445 WeakPolarHBondContact OG-CB 3.39Å; S443-E445 PolarHBondContact OG-N 3.34Å
444	E	91.7	Very high	95.5	Very high	153 Å²	153	53 Å²	53	72%	0.715	28%	0.276	S	S	*	.			trans	-92.9	-5.9	166.5	-63.9	-59.3	157.3	0	0	112.6	K378	K378-E444 WeakPolarHBondContact CE-OE1 3.43Å; K378-E444 WeakPolarHBondContact CE-OE2 3.4Å; K378-E444 IonicContact NZ-OE1 3.32Å; K378-E444 PolarHBondContact NZ-OE1 2.94Å; K378-E444 IonicContact NZ-OE2 2.74Å; K378-E444 PolarHBondContact NZ-OE2 3.12Å
445	E	92.6	Very high	95.5	Very high	124 Å²	124	54.4 Å²	54.4	58%	0.579	28%	0.282	S	S	*	.			trans	-69.4	138.7	179.7	-169.6	178.5	-177	0	0	111.3	P440 S443 I447	P440-E445 WeakPolarHBondContact CD-O 3.47Å; S443-E445 VanDerWaalsContact OG-CB 3.29Å; S443-E445 WeakPolarHBondContact OG-CB 3.39Å; S443-E445 PolarHBondContact OG-N 3.34Å; E445-I447 HydrophobicContact CG-CG1 4.03Å
446	V	94.4	Very high	95.5	Very high	64 Å²	64	59.5 Å²	59.5	39%	0.388	31%	0.305	S	S	.	.			trans	-112.3	118.9	170.9	-175.1	0	0	0	0	107.5	K437 Y439	K437-V446 HydrophobicContact CB-CG1 4.25Å; K437-V446 HydrophobicContact CD-CG1 3.93Å; K437-V446 HydrophobicContact CG-CG1 4.22Å; Y439-V446 HydrophobicContact CD1-CB 4.5Å; Y439-V446 HydrophobicContact CD1-CG1 4.23Å; Y439-V446 HydrophobicContact CD1-CG2 3.81Å; Y439-V446 HydrophobicContact CE1-CB 4.19Å; Y439-V446 HydrophobicContact CE1-CG1 3.67Å; Y439-V446 HydrophobicContact CE1-CG2 3.49Å; Y439-V446 VanDerWaalsContact CE1-CG2 3.49Å; Y439-V446 HydrophobicContact CE2-CG1 4.45Å
447	I	95.1	Very high	95.4	Very high	24 Å²	24	59.8 Å²	59.8	12%	0.123	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.9	-174.8	-56.1	173.8	0	0	0	108.9	K437 F438 P440 E445 F461	K437-I447 WeakPolarHBondContact CA-O 3.39Å; F438-I447 HydrophobicContact CB-CB 4.31Å; F438-I447 HydrophobicContact CD1-CD1 4.34Å; F438-I447 PolarHBondContact N-O 2.98Å; F438-I447 PolarHBondContact O-N 3.43Å; P440-I447 HydrophobicContact CG-CD1 3.79Å; P440-I447 HydrophobicContact CG-CG1 4.42Å; E445-I447 HydrophobicContact CG-CG1 4.03Å; I447-F461 HydrophobicContact CG2-CE2 4.35Å; I447-F461 HydrophobicContact CG2-CZ 4Å
448	D	94.8	Very high	95.4	Very high	78 Å²	78	58.6 Å²	58.6	42%	0.417	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.8	170.6	-79.5	-49.3	0	0	0	110.6	K437	K437-D448 WeakPolarHBondContact CE-OD1 3.24Å; K437-D448 WeakPolarHBondContact CG-OD1 3.44Å; K437-D448 IonicContact NZ-OD1 2.85Å; K437-D448 PolarHBondContact NZ-OD1 3.45Å; K437-D448 IonicContact NZ-OD2 2.76Å; K437-D448 PolarHBondContact NZ-OD2 3.11Å
449	Y	96	Very high	95.4	Very high	7 Å²	7	61.3 Å²	61.3	3%	0.027	31%	0.314	C	S	.	.			trans	-90.7	113.4	176.2	-176.9	-88.8	0	0	0	110.7	F383 L436 G451 D452 L458 F461	F383-Y449 HydrophobicContact CE2-CG 4.49Å; F383-Y449 HydrophobicContact CZ-CD1 4.45Å; F383-Y449 HydrophobicContact CZ-CD2 4.43Å; F383-Y449 HydrophobicContact CZ-CG 4.04Å; L436-Y449 HydrophobicContact CB-CD1 4.46Å; L436-Y449 HydrophobicContact CD1-CD1 3.84Å; L436-Y449 HydrophobicContact CD1-CE1 4.5Å; L436-Y449 PolarHBondContact O-N 3.29Å; Y449-G451 VanDerWaalsContact CE1-C 3.42Å; Y449-G451 WeakPolarHBondContact CE1-O 3.5Å; Y449-D452 WeakPolarHBondContact CE1-O 3.43Å; Y449-D452 PolarHBondContact OH-N 2.94Å; Y449-D452 PolarHBondContact OH-O 3.2Å; Y449-L458 HydrophobicContact CD1-CD2 3.96Å; Y449-L458 HydrophobicContact CE1-CD2 3.49Å; Y449-L458 VanDerWaalsContact CE1-CD2 3.49Å; Y449-F461 HydrophobicContact CD2-CB 4.19Å; Y449-F461 AromaticContact CD2-CD1 3.47Å; Y449-F461 HydrophobicContact CD2-CD1 3.47Å; Y449-F461 VanDerWaalsContact CD2-CD1 3.47Å; Y449-F461 AromaticContact CD2-CD2 3.61Å; Y449-F461 HydrophobicContact CD2-CD2 3.61Å; Y449-F461 AromaticContact CD2-CE1 3.58Å; Y449-F461 HydrophobicContact CD2-CE1 3.58Å; Y449-F461 AromaticContact CD2-CE2 3.72Å; Y449-F461 HydrophobicContact CD2-CE2 3.72Å; Y449-F461 AromaticContact CD2-CG 3.47Å; Y449-F461 HydrophobicContact CD2-CG 3.47Å; Y449-F461 VanDerWaalsContact CD2-CG 3.47Å; Y449-F461 AromaticContact CD2-CZ 3.71Å; Y449-F461 HydrophobicContact CD2-CZ 3.71Å; Y449-F461 HydrophobicContact CE2-CB 3.69Å; Y449-F461 AromaticContact CE2-CD1 3.87Å; Y449-F461 HydrophobicContact CE2-CD1 3.87Å; Y449-F461 AromaticContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CE1 4.41Å; Y449-F461 HydrophobicContact CE2-CE2 4.31Å; Y449-F461 AromaticContact CE2-CG 3.48Å; Y449-F461 HydrophobicContact CE2-CG 3.48Å; Y449-F461 VanDerWaalsContact CE2-CG 3.48Å; Y449-F461 HydrophobicContact CG-CD1 4.32Å; Y449-F461 HydrophobicContact CG-CE1 4.22Å; Y449-F461 HydrophobicContact CG-CZ 4.46Å
450	T	93.5	Very high	95.4	Very high	65 Å²	65	65 Å²	65	40%	0.399	33%	0.331	S	S	.	.			trans	-110.3	2.9	179.2	66.4	0	0	0	0	113.7	A471	T450-A471 PolarHBondContact OG1-O 2.69Å
451	G	93.2	Very high	95.4	Very high	15 Å²	15	64.3 Å²	64.3	16%	0.155	33%	0.326	C	S	.	.	S	Bend	trans	-78.7	-171.1	-175.1	0	0	0	0	0	115.4	Y449	Y449-G451 VanDerWaalsContact CE1-C 3.42Å; Y449-G451 WeakPolarHBondContact CE1-O 3.5Å
452	D	94.7	Very high	95.4	Very high	99 Å²	99	60.4 Å²	60.4	53%	0.529	31%	0.31	S	S	.	.			trans	-61.3	137.5	177.1	176.1	-129.9	0	0	0	112.6	Y449 S454 A457	Y449-D452 WeakPolarHBondContact CE1-O 3.43Å; Y449-D452 PolarHBondContact OH-N 2.94Å; Y449-D452 PolarHBondContact OH-O 3.2Å; D452-S454 VanDerWaalsContact C-N 3.35Å; D452-S454 PolarHBondContact O-N 2.77Å; D452-S454 WeakPolarHBondContact OD1-CB 3.48Å; D452-S454 PolarHBondContact OD1-N 2.9Å; D452-S454 PolarHBondContact OD1-OG 3.36Å; D452-A457 HydrophobicContact CB-CB 3.98Å; D452-A457 WeakPolarHBondContact O-CB 3.29Å
453	R	96	Very high	95.5	Very high	89 Å²	89	60 Å²	60	34%	0.336	30%	0.303	S	S	.	.			trans	-97.7	18.3	-172.9	-65.1	174.6	179.2	173.9	-6.5	113.1	L397 P434 L436	L397-R453 HydrophobicContact CD1-CB 4.14Å; P434-R453 VanDerWaalsContact CD-NH1 3.31Å; P434-R453 VanDerWaalsContact CG-NH1 3.31Å; P434-R453 PolarHBondContact O-NH2 2.89Å; L436-R453 HydrophobicContact CD1-CG 4.43Å
454	S	96.8	Very high	95.5	Very high	48 Å²	48	60.2 Å²	60.2	34%	0.336	31%	0.305	S	S	.	.	S	Bend	trans	-70.2	156.3	170.8	71.8	0	0	0	0	111.6	D452 E456 A457 L458	D452-S454 VanDerWaalsContact C-N 3.35Å; D452-S454 PolarHBondContact O-N 2.77Å; D452-S454 WeakPolarHBondContact OD1-CB 3.48Å; D452-S454 PolarHBondContact OD1-N 2.9Å; D452-S454 PolarHBondContact OD1-OG 3.36Å; S454-E456 VanDerWaalsContact C-N 3.35Å; S454-E456 PolarHBondContact O-N 3.2Å; S454-A457 PolarHBondContact O-N 3.44Å; S454-A457 WeakPolarHBondContact OG-CB 3.36Å; S454-A457 PolarHBondContact OG-N 2.82Å; S454-L458 WeakPolarHBondContact O-CG 3.42Å; S454-L458 PolarHBondContact O-N 2.89Å; S454-L458 VanDerWaalsContact O-N 3.07Å
455	F	97.9	Very high	95.6	Very high	31 Å²	31	53.9 Å²	53.9	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-55	-48.3	179.3	174.6	-103	0	0	0	112.4	V400 E403 L404 T407 A457 L458 K459	V400-F455 HydrophobicContact CG1-CB 3.95Å; E403-F455 HydrophobicContact CB-CD2 4.13Å; E403-F455 HydrophobicContact CB-CE2 4.14Å; E403-F455 HydrophobicContact CG-CD2 3.85Å; E403-F455 HydrophobicContact CG-CE2 3.59Å; E403-F455 HydrophobicContact CG-CZ 4.19Å; L404-F455 HydrophobicContact CD1-CE2 4.36Å; T407-F455 WeakPolarHBondContact OG1-CZ 3.31Å; F455-A457 PolarHBondContact O-N 2.74Å; F455-L458 PolarHBondContact O-N 3.25Å; F455-K459 HydrophobicContact CE1-CD 4.03Å; F455-K459 HydrophobicContact CZ-CD 4.09Å; F455-K459 VanDerWaalsContact O-CB 3.24Å; F455-K459 WeakPolarHBondContact O-CB 3.45Å; F455-K459 PolarHBondContact O-N 2.63Å
456	E	97.4	Very high	95.4	Very high	125 Å²	125	48.3 Å²	48.3	58%	0.584	26%	0.256	S	S	*	.	H	α-helix	trans	-64.2	-39.9	-178.2	-64.4	-59	148.6	0	0	112.6	S454 K460	S454-E456 VanDerWaalsContact C-N 3.35Å; S454-E456 PolarHBondContact O-N 3.2Å; E456-K460 VanDerWaalsContact O-CB 3.23Å; E456-K460 WeakPolarHBondContact O-CB 3.31Å; E456-K460 PolarHBondContact O-N 3.4Å
457	A	96.9	Very high	94.9	Very high	9 Å²	9	53.8 Å²	53.8	7%	0.074	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-45	178.3	0	0	0	0	0	111.9	D452 S454 F455 F461	D452-A457 HydrophobicContact CB-CB 3.98Å; D452-A457 WeakPolarHBondContact O-CB 3.29Å; S454-A457 PolarHBondContact O-N 3.44Å; S454-A457 WeakPolarHBondContact OG-CB 3.36Å; S454-A457 PolarHBondContact OG-N 2.82Å; F455-A457 PolarHBondContact O-N 2.74Å; A457-F461 WeakPolarHBondContact O-CB 3.14Å; A457-F461 PolarHBondContact O-N 3.41Å
458	L	98	Very high	93.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.3	-43.6	177.6	-65.6	171.8	0	0	0	111.6	F383 L397 V400 W401 L404 L436 Y449 S454 F455 F461 V462	F383-L458 HydrophobicContact CE1-CB 4.49Å; F383-L458 HydrophobicContact CE1-CD2 3.86Å; F383-L458 HydrophobicContact CZ-CD2 3.97Å; L397-L458 HydrophobicContact CD1-CD1 3.91Å; V400-L458 HydrophobicContact CG1-CD1 3.86Å; W401-L458 HydrophobicContact CE3-CD1 4.33Å; W401-L458 HydrophobicContact CZ3-CD1 4.34Å; L404-L458 HydrophobicContact CD1-CB 4.26Å; L404-L458 HydrophobicContact CD2-CB 4.07Å; L436-L458 HydrophobicContact CD1-CD2 4.1Å; Y449-L458 HydrophobicContact CD1-CD2 3.96Å; Y449-L458 HydrophobicContact CE1-CD2 3.49Å; Y449-L458 VanDerWaalsContact CE1-CD2 3.49Å; S454-L458 WeakPolarHBondContact O-CG 3.42Å; S454-L458 PolarHBondContact O-N 2.89Å; S454-L458 VanDerWaalsContact O-N 3.07Å; F455-L458 PolarHBondContact O-N 3.25Å; L458-F461 PolarHBondContact O-N 3.06Å; L458-V462 WeakPolarHBondContact O-CG2 3.3Å; L458-V462 PolarHBondContact O-N 2.74Å
459	K	97.4	Very high	91.6	Very high	56 Å²	56	53.8 Å²	53.8	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-59.1	-50	176.4	179.3	-177.2	171.1	-171.6	0	111.5	L404 T407 F408 F455 F461 V462 E463	L404-K459 HydrophobicContact CD1-CB 4.07Å; T407-K459 HydrophobicContact CG2-CD 4.47Å; F408-K459 HydrophobicContact CE2-CG 4.24Å; F408-K459 HydrophobicContact CZ-CG 4.14Å; F455-K459 HydrophobicContact CE1-CD 4.03Å; F455-K459 HydrophobicContact CZ-CD 4.09Å; F455-K459 VanDerWaalsContact O-CB 3.24Å; F455-K459 WeakPolarHBondContact O-CB 3.45Å; F455-K459 PolarHBondContact O-N 2.63Å; K459-F461 VanDerWaalsContact C-N 3.3Å; K459-F461 PolarHBondContact O-N 2.98Å; K459-V462 PolarHBondContact O-N 2.86Å; K459-E463 WeakPolarHBondContact CE-OE1 3.34Å; K459-E463 HydrophobicContact CG-CG 4.46Å; K459-E463 WeakPolarHBondContact O-CG 3.44Å; K459-E463 PolarHBondContact O-N 2.93Å
460	K	96.4	Very high	89.5	Confident	107 Å²	107	56.6 Å²	56.6	47%	0.465	30%	0.297	S	S	.	.	H	α-helix	trans	-59.4	-40.4	177.4	-179	-174.1	171.1	-161.9	0	112	E456 S464 E470	E456-K460 VanDerWaalsContact O-CB 3.23Å; E456-K460 WeakPolarHBondContact O-CB 3.31Å; E456-K460 PolarHBondContact O-N 3.4Å; K460-S464 WeakPolarHBondContact O-CB 3.49Å; K460-S464 PolarHBondContact O-N 3.3Å; K460-S464 PolarHBondContact O-OG 3.31Å; K460-E470 IonicContact NZ-OE1 3.71Å; K460-E470 PolarHBondContact NZ-OE1 2.94Å; K460-E470 IonicContact NZ-OE2 2.78Å
461	F	97.1	Very high	87.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.6	-46.5	175.7	174.2	-105.7	0	0	0	112.1	F383 F438 I447 Y449 A457 L458 K459 S464 G466 A471	F383-F461 HydrophobicContact CD2-CE1 4.34Å; F383-F461 HydrophobicContact CE1-CD1 4.08Å; F383-F461 HydrophobicContact CE1-CE1 4.43Å; F383-F461 HydrophobicContact CE2-CD1 4.24Å; F383-F461 AromaticContact CE2-CE1 3.79Å; F383-F461 HydrophobicContact CE2-CE1 3.79Å; F383-F461 AromaticContact CZ-CD1 3.82Å; F383-F461 HydrophobicContact CZ-CD1 3.82Å; F383-F461 AromaticContact CZ-CE1 3.83Å; F383-F461 HydrophobicContact CZ-CE1 3.83Å; F438-F461 HydrophobicContact CB-CE1 3.69Å; F438-F461 HydrophobicContact CB-CZ 3.91Å; F438-F461 HydrophobicContact CD2-CE1 4.01Å; F438-F461 AromaticContact CG-CE1 3.9Å; F438-F461 HydrophobicContact CG-CE1 3.9Å; F438-F461 HydrophobicContact CG-CZ 4.22Å; I447-F461 HydrophobicContact CG2-CE2 4.35Å; I447-F461 HydrophobicContact CG2-CZ 4Å; Y449-F461 HydrophobicContact CD2-CB 4.19Å; Y449-F461 AromaticContact CD2-CD1 3.47Å; Y449-F461 HydrophobicContact CD2-CD1 3.47Å; Y449-F461 VanDerWaalsContact CD2-CD1 3.47Å; Y449-F461 AromaticContact CD2-CD2 3.61Å; Y449-F461 HydrophobicContact CD2-CD2 3.61Å; Y449-F461 AromaticContact CD2-CE1 3.58Å; Y449-F461 HydrophobicContact CD2-CE1 3.58Å; Y449-F461 AromaticContact CD2-CE2 3.72Å; Y449-F461 HydrophobicContact CD2-CE2 3.72Å; Y449-F461 AromaticContact CD2-CG 3.47Å; Y449-F461 HydrophobicContact CD2-CG 3.47Å; Y449-F461 VanDerWaalsContact CD2-CG 3.47Å; Y449-F461 AromaticContact CD2-CZ 3.71Å; Y449-F461 HydrophobicContact CD2-CZ 3.71Å; Y449-F461 HydrophobicContact CE2-CB 3.69Å; Y449-F461 AromaticContact CE2-CD1 3.87Å; Y449-F461 HydrophobicContact CE2-CD1 3.87Å; Y449-F461 AromaticContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CD2 3.75Å; Y449-F461 HydrophobicContact CE2-CE1 4.41Å; Y449-F461 HydrophobicContact CE2-CE2 4.31Å; Y449-F461 AromaticContact CE2-CG 3.48Å; Y449-F461 HydrophobicContact CE2-CG 3.48Å; Y449-F461 VanDerWaalsContact CE2-CG 3.48Å; Y449-F461 HydrophobicContact CG-CD1 4.32Å; Y449-F461 HydrophobicContact CG-CE1 4.22Å; Y449-F461 HydrophobicContact CG-CZ 4.46Å; A457-F461 WeakPolarHBondContact O-CB 3.14Å; A457-F461 PolarHBondContact O-N 3.41Å; L458-F461 PolarHBondContact O-N 3.06Å; K459-F461 VanDerWaalsContact C-N 3.3Å; K459-F461 PolarHBondContact O-N 2.98Å; F461-S464 PolarHBondContact O-N 3.38Å; F461-S464 PolarHBondContact O-OG 2.66Å; F461-G466 VanDerWaalsContact CE2-CA 3.49Å; F461-G466 VanDerWaalsContact CE2-O 3.28Å; F461-G466 WeakPolarHBondContact CE2-O 3.47Å; F461-G466 PolarHBondContact O-N 3.3Å; F461-G466 VanDerWaalsContact O-N 3.17Å; F461-A471 HydrophobicContact CD2-CB 4.45Å; F461-A471 HydrophobicContact CE2-CB 3.97Å
462	V	96.6	Very high	84.9	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.024	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-47.9	176.5	172.2	0	0	0	0	111.5	F383 L404 F408 T413 I415 F438 L458 K459 S464 G465	F383-V462 HydrophobicContact CB-CG2 4.33Å; F383-V462 HydrophobicContact CD1-CG2 3.41Å; F383-V462 VanDerWaalsContact CD1-CG2 3.41Å; F383-V462 HydrophobicContact CE1-CG2 3.95Å; F383-V462 HydrophobicContact CG-CG2 4.15Å; L404-V462 HydrophobicContact CD2-CG2 4.44Å; F408-V462 HydrophobicContact CD1-CG1 4Å; F408-V462 HydrophobicContact CD2-CG1 4.15Å; F408-V462 HydrophobicContact CE1-CB 4.39Å; F408-V462 HydrophobicContact CE1-CG1 3.54Å; F408-V462 HydrophobicContact CE2-CB 3.99Å; F408-V462 HydrophobicContact CE2-CG1 3.72Å; F408-V462 HydrophobicContact CE2-CG2 4.5Å; F408-V462 HydrophobicContact CG-CG1 4.3Å; F408-V462 HydrophobicContact CZ-CB 3.78Å; F408-V462 HydrophobicContact CZ-CG1 3.39Å; T413-V462 HydrophobicContact CG2-CG1 3.6Å; I415-V462 HydrophobicContact CD1-CG2 4.38Å; F438-V462 HydrophobicContact CE2-CG2 4.43Å; L458-V462 WeakPolarHBondContact O-CG2 3.3Å; L458-V462 PolarHBondContact O-N 2.74Å; K459-V462 PolarHBondContact O-N 2.86Å; V462-S464 PolarHBondContact O-N 3.31Å; V462-G465 PolarHBondContact O-N 2.96Å
463	E	95.4	Very high	82.2	Confident	127 Å²	127	60.7 Å²	60.7	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-61.3	-28.5	178.5	-72.3	174.9	165	0	0	112.7	F408 K459 G465	F408-E463 HydrophobicContact CE1-CG 4.17Å; F408-E463 HydrophobicContact CZ-CG 3.93Å; K459-E463 WeakPolarHBondContact CE-OE1 3.34Å; K459-E463 HydrophobicContact CG-CG 4.46Å; K459-E463 WeakPolarHBondContact O-CG 3.44Å; K459-E463 PolarHBondContact O-N 2.93Å; E463-G465 PolarHBondContact O-N 3.11Å
464	S	94.2	Very high	79.4	Confident	39 Å²	39	63 Å²	63	27%	0.273	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-5	174.8	77.1	0	0	0	0	114.1	K460 F461 V462 G466 K467	K460-S464 WeakPolarHBondContact O-CB 3.49Å; K460-S464 PolarHBondContact O-N 3.3Å; K460-S464 PolarHBondContact O-OG 3.31Å; F461-S464 PolarHBondContact O-N 3.38Å; F461-S464 PolarHBondContact O-OG 2.66Å; V462-S464 PolarHBondContact O-N 3.31Å; S464-G466 VanDerWaalsContact C-N 3.33Å; S464-K467 VanDerWaalsContact CB-O 3.25Å; S464-K467 WeakPolarHBondContact CB-O 3.28Å; S464-K467 WeakPolarHBondContact O-CB 3.09Å; S464-K467 PolarHBondContact O-N 2.95Å; S464-K467 PolarHBondContact OG-N 3.17Å; S464-K467 PolarHBondContact OG-O 2.97Å
465	G	92.3	Very high	76.4	Confident	20 Å²	20	68.8 Å²	68.8	21%	0.206	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	66	35.8	-172.9	0	0	0	0	0	112.4	F438 V462 E463 K467	F438-G465 VanDerWaalsContact CE1-C 3.41Å; V462-G465 PolarHBondContact O-N 2.96Å; E463-G465 PolarHBondContact O-N 3.11Å; G465-K467 VanDerWaalsContact C-N 3.35Å
466	G	90.2	Very high	73.5	Confident	7 Å²	7	73.8 Å²	73.8	7%	0.072	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	5.8	-177.4	0	0	0	0	0	114.9	F461 S464	F461-G466 VanDerWaalsContact CE2-CA 3.49Å; F461-G466 VanDerWaalsContact CE2-O 3.28Å; F461-G466 WeakPolarHBondContact CE2-O 3.47Å; F461-G466 PolarHBondContact O-N 3.3Å; F461-G466 VanDerWaalsContact O-N 3.17Å; S464-G466 VanDerWaalsContact C-N 3.33Å
467	K	83.5	Confident	70.5	Confident	179 Å²	179	75.3 Å²	75.3	78%	0.778	38%	0.383	S	S	*	.			trans	-101.2	74	-178.4	-56.9	178.6	-175	177.7	0	111.2	S464 G465	S464-K467 VanDerWaalsContact CB-O 3.25Å; S464-K467 WeakPolarHBondContact CB-O 3.28Å; S464-K467 WeakPolarHBondContact O-CB 3.09Å; S464-K467 PolarHBondContact O-N 2.95Å; S464-K467 PolarHBondContact OG-N 3.17Å; S464-K467 PolarHBondContact OG-O 2.97Å; G465-K467 VanDerWaalsContact C-N 3.35Å
468	S	66.6	Low	67.8	Low	14 Å²	14	81.4 Å²	81.4	10%	0.098	41%	0.413	C	S	.	.			trans	-117.2	135.7	169.3	-177.3	0	0	0	0	110.9	E470 A471	S468-E470 PolarHBondContact O-N 3.08Å; S468-E470 PolarHBondContact OG-N 3.12Å; S468-E470 PolarHBondContact OG-OE2 3.32Å; S468-A471 PolarHBondContact O-N 3.28Å; S468-A471 VanDerWaalsContact O-N 3.11Å
469	S	54.1	Low	64.9	Low	88 Å²	88	89.8 Å²	89.8	62%	0.615	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-5.8	172.2	57.7	0	0	0	0	113.8
470	E	52	Low	62.2	Low	67 Å²	67	94.2 Å²	94.2	31%	0.313	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-16.6	175.3	-67.6	153.7	-165.1	0	0	112.7	K460 S468 T472	K460-E470 IonicContact NZ-OE1 3.71Å; K460-E470 PolarHBondContact NZ-OE1 2.94Å; K460-E470 IonicContact NZ-OE2 2.78Å; S468-E470 PolarHBondContact O-N 3.08Å; S468-E470 PolarHBondContact OG-N 3.12Å; S468-E470 PolarHBondContact OG-OE2 3.32Å; E470-T472 VanDerWaalsContact C-N 3.31Å; E470-T472 PolarHBondContact O-N 3.43Å
471	A	49.2	Very low	59.6	Low	13 Å²	13	97.7 Å²	97.7	11%	0.107	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-14.1	-177.4	0	0	0	0	0	114.3	T450 F461 S468	T450-A471 PolarHBondContact OG1-O 2.69Å; F461-A471 HydrophobicContact CD2-CB 4.45Å; F461-A471 HydrophobicContact CE2-CB 3.97Å; S468-A471 PolarHBondContact O-N 3.28Å; S468-A471 VanDerWaalsContact O-N 3.11Å
472	T	41.1	Very low	57.1	Low	105 Å²	105	108.7 Å²	108.7	64%	0.644	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.2	4.2	-170.1	-23.3	0	0	0	0	113.9	E470 Q474	E470-T472 VanDerWaalsContact C-N 3.31Å; E470-T472 PolarHBondContact O-N 3.43Å; T472-Q474 PolarHBondContact O-N 2.63Å
473	K	37.7	Very low	55.1	Low	146 Å²	146	113.9 Å²	113.9	64%	0.635	58%	0.577	S	S	*	*			trans	-88	2.5	-165.9	-83.7	-171.7	178.8	-174.6	0	117.3
474	Q	36.3	Very low	53	Low	137 Å²	137	113.2 Å²	113.2	64%	0.64	58%	0.576	S	S	*	*	S	Bend	trans	-102.7	-13.8	-179.1	-90.7	-172.3	-4.2	0	0	116.6	T472	T472-Q474 PolarHBondContact O-N 2.63Å
475	E	34.8	Very low	50.7	Low	171 Å²	171	117.3 Å²	117.3	80%	0.799	59%	0.593	S	S	*	*	S	Bend	trans	-74.8	-26.7	173	-85.2	-173.9	156.6	0	0	113	Q477	E475-Q477 PolarHBondContact O-N 2.93Å
476	D	35.7	Very low	48.3	Very low	135 Å²	135	123.1 Å²	123.1	72%	0.722	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-7.5	-178.3	-75.4	-25.1	0	0	0	114.6
477	Q	35.3	Very low	45.7	Very low	158 Å²	158	130.3 Å²	130.3	74%	0.738	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	-4.8	-179.8	-77.8	-161.4	-20.4	0	0	115.7	E475	E475-Q477 PolarHBondContact O-N 2.93Å
478	I	39.3	Very low	43.2	Very low	136 Å²	136	127.1 Å²	127.1	70%	0.697	64%	0.641	S	S	*	*	S	Bend	trans	-91	-9.5	176	-61	178.4	0	0	0	112.1
479	K	37.6	Very low	41.5	Very low	177 Å²	177	135.1 Å²	135.1	77%	0.77	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-7.3	179.7	-79.4	-173.5	178.2	173	0	115.9
480	D	41.4	Very low	40.5	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	7.4	-177.4	-77	-12.2	0	0	0	114.6
481	E	41.7	Very low	39.6	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	72%	0.716	S	S	*	*			trans	-135.2	56.7	171.4	-69	-169	172.4	0	0	113
482	L	44.8	Very low	38.7	Very low	231 Å²	231	156.7 Å²	156.7	100%	1.209	77%	0.772	S	S	*	*			trans	-149.6	0	152.2	-84.2	176.1	0	0	0	107.7

Retrieved 482 of 482 residues in 270.7 ms (Link to these results)

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