A0A3Q0KLJ9_SCHMA Loading...

tRNA pseudouridine synthase D, putative

AlphaFold DB (A0A5K4ELS2), UniProt , Accession A0A3Q0KLJ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 617 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	34.5	Very low	32.6	Very low	244 Å²	244	161.3 Å²	161.3	100%	1.202	84%	0.837	S	S	*	*				0	123.1	0	-70.2	-153	-171.9	0	0	107.5
2	D	38	Very low	32.3	Very low	136 Å²	136	163 Å²	163	73%	0.727	84%	0.838	S	S	*	*			trans	-74.6	120.2	-172.1	-163.2	-15.1	0	0	0	110.8	K4	D2-K4 PolarHBondContact O-N 3.06Å; D2-K4 VanDerWaalsContact O-N 3.14Å
3	P	39	Very low	32	Very low	123 Å²	123	160.3 Å²	160.3	80%	0.799	83%	0.834	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	7	-172.7	29.7	-34.3	0	0	0	114.6
4	K	36.1	Very low	32.1	Very low	185 Å²	185	158.4 Å²	158.4	80%	0.804	83%	0.826	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	11.7	-177.2	-74.9	-171.8	177.6	179.9	0	116.3	D2	D2-K4 PolarHBondContact O-N 3.06Å; D2-K4 VanDerWaalsContact O-N 3.14Å
5	R	32.2	Very low	32.1	Very low	227 Å²	227	154.8 Å²	154.8	86%	0.857	82%	0.819	S	S	*	*	S	Bend	trans	-97.6	113.4	167.1	-85.5	-173.5	179	-170.2	0.5	110.3	K7	R5-K7 PolarHBondContact O-N 3.23Å; R5-K7 VanDerWaalsContact O-N 3.1Å
6	P	30.4	Very low	32.9	Very low	120 Å²	120	151 Å²	151	78%	0.779	82%	0.817	S	S	*	*			trans	-59.1	119.4	169.6	22.7	-29.2	0	0	0	108.3	L8	P6-L8 PolarHBondContact O-N 3.37Å
7	K	28.3	Very low	33.3	Very low	200 Å²	200	151.6 Å²	151.6	87%	0.87	82%	0.819	S	S	*	*			trans	-57.4	123.4	171	-72.6	-180	176	-179.8	0	107.1	R5 C9	R5-K7 PolarHBondContact O-N 3.23Å; R5-K7 VanDerWaalsContact O-N 3.1Å; K7-C9 PolarHBondContact O-N 3.48Å
8	L	30.7	Very low	34.2	Very low	174 Å²	174	148.2 Å²	148.2	91%	0.911	80%	0.801	S	S	*	*			trans	-55.8	106.8	163.7	-101.5	86	0	0	0	106.2	P6 S10	P6-L8 PolarHBondContact O-N 3.37Å; L8-S10 PolarHBondContact O-N 3.43Å; L8-S10 VanDerWaalsContact O-N 3.14Å
9	C	29.1	Very low	34.7	Very low	116 Å²	116	149.6 Å²	149.6	78%	0.784	80%	0.802	S	S	*	*			trans	-61.3	116	169.1	-165.1	0	0	0	0	105.9	K7 L11	K7-C9 PolarHBondContact O-N 3.48Å; C9-L11 PolarHBondContact O-N 2.92Å; C9-L11 VanDerWaalsContact O-N 3.09Å
10	S	28.5	Very low	35.8	Very low	98 Å²	98	147.6 Å²	147.6	69%	0.685	79%	0.794	S	S	*	*			trans	-53.7	112.4	172.8	40.5	0	0	0	0	108.2	L8 E12	L8-S10 PolarHBondContact O-N 3.43Å; L8-S10 VanDerWaalsContact O-N 3.14Å; S10-E12 PolarHBondContact O-N 2.98Å
11	L	31.3	Very low	37.4	Very low	151 Å²	151	141.4 Å²	141.4	79%	0.791	76%	0.761	S	S	*	*			trans	-64.4	100.9	170.2	-73.1	159	0	0	0	106.9	C9 T13	C9-L11 PolarHBondContact O-N 2.92Å; C9-L11 VanDerWaalsContact O-N 3.09Å; L11-T13 PolarHBondContact O-N 3.49Å; L11-T13 VanDerWaalsContact O-N 3.15Å
12	E	28.9	Very low	39.5	Very low	182 Å²	182	133.3 Å²	133.3	85%	0.85	72%	0.722	S	S	*	*			trans	-58.3	115.1	162.6	-71.4	-179.8	166.5	0	0	106.9	S10 D14	S10-E12 PolarHBondContact O-N 2.98Å; E12-D14 PolarHBondContact O-N 3.37Å; E12-D14 VanDerWaalsContact O-N 3.11Å
13	T	29.4	Very low	41.7	Very low	128 Å²	128	127.1 Å²	127.1	79%	0.785	69%	0.689	S	S	*	*			trans	-76.2	95.6	179.7	49.4	0	0	0	0	108.2	L11 S15	L11-T13 PolarHBondContact O-N 3.49Å; L11-T13 VanDerWaalsContact O-N 3.15Å; T13-S15 PolarHBondContact O-N 3.48Å
14	D	33.5	Very low	44	Very low	134 Å²	134	125.3 Å²	125.3	72%	0.717	67%	0.67	S	S	*	*			trans	-53.8	134.7	162.6	-84.7	-30.4	0	0	0	109.1	E12 N18	E12-D14 PolarHBondContact O-N 3.37Å; E12-D14 VanDerWaalsContact O-N 3.11Å; D14-N18 PolarHBondContact O-ND2 3.44Å
15	S	32.4	Very low	46.6	Very low	104 Å²	104	118.7 Å²	118.7	73%	0.727	65%	0.646	S	S	*	*			trans	-80.6	143.7	-161.2	46.7	0	0	0	0	115.4	T13 D17	T13-S15 PolarHBondContact O-N 3.48Å; S15-D17 PolarHBondContact O-N 2.89Å
16	A	44.4	Very low	49.4	Very low	94 Å²	94	111.8 Å²	111.8	78%	0.777	63%	0.632	S	S	*	*	S	Bend	trans	64.7	-32.4	151	0	0	0	0	0	122	N18	A16-N18 VanDerWaalsContact C-N 3.32Å; A16-N18 PolarHBondContact O-N 3.29Å
17	D	39.9	Very low	52.3	Low	162 Å²	162	109.4 Å²	109.4	87%	0.866	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-89.5	4.9	179.6	-78.8	-18.5	0	0	0	114	S15 E19	S15-D17 PolarHBondContact O-N 2.89Å; D17-E19 PolarHBondContact O-N 3.02Å
18	N	48.5	Very low	55.4	Low	90 Å²	90	99.9 Å²	99.9	48%	0.481	57%	0.569	S	S	.	*	G	3₁₀ helix	trans	-77.5	-9.1	-172.6	-71.9	-31.1	0	0	0	115.3	D14 A16 V20	D14-N18 PolarHBondContact O-ND2 3.44Å; A16-N18 VanDerWaalsContact C-N 3.32Å; A16-N18 PolarHBondContact O-N 3.29Å; N18-V20 PolarHBondContact O-N 2.87Å
19	E	43.8	Very low	58.5	Low	175 Å²	175	91.8 Å²	91.8	82%	0.818	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-84.8	0.3	-159.3	-124.6	178.7	-171.2	0	0	116.9	D17	D17-E19 PolarHBondContact O-N 3.02Å
20	V	57.4	Low	61.7	Low	108 Å²	108	86.4 Å²	86.4	66%	0.655	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-139.1	46.7	-177.4	-152.3	0	0	0	0	115.9	N18 I22	N18-V20 PolarHBondContact O-N 2.87Å; V20-I22 VanDerWaalsContact C-N 3.32Å
21	D	70.1	Confident	64.8	Low	18 Å²	18	85 Å²	85	10%	0.096	48%	0.481	C	S	.	.			trans	-98.3	38.6	160.7	-160.2	-4.9	0	0	0	111.5	S297 S298 K299 Y326	D21-S297 PolarHBondContact OD1-OG 3.41Å; D21-S298 WeakPolarHBondContact CA-OG 3.32Å; D21-S298 PolarHBondContact OD1-N 3.27Å; D21-S298 PolarHBondContact OD1-OG 3.44Å; D21-K299 PolarHBondContact OD1-N 2.98Å; D21-Y326 PolarHBondContact OD2-N 2.82Å
22	I	77.3	Confident	67.8	Low	74 Å²	74	78.7 Å²	78.7	38%	0.379	45%	0.449	S	S	.	.	S	Bend	trans	-120.4	125.5	178.4	-54.5	178.5	0	0	0	109.2	V20 Q24 K617	V20-I22 VanDerWaalsContact C-N 3.32Å; I22-Q24 PolarHBondContact O-N 3.23Å; I22-Q24 PolarHBondContact O-NE2 2.71Å; I22-Q24 VanDerWaalsContact O-NE2 3.11Å; I22-K617 HydrophobicContact CD1-CD 4.49Å
23	L	84.4	Confident	71	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.031	42%	0.416	C	S	.	.			trans	-62.6	124.7	177.2	-175.5	65.1	0	0	0	111.3	E27 V28 L291 F294 K301 F303	L23-E27 HydrophobicContact CD1-CB 4Å; L23-V28 HydrophobicContact CD1-CG1 4.2Å; L23-V28 HydrophobicContact CD2-CG1 3.71Å; L23-V28 HydrophobicContact CG-CG1 4.09Å; L23-L291 HydrophobicContact CG-CD2 4.44Å; L23-F294 HydrophobicContact CD2-CB 3.43Å; L23-F294 VanDerWaalsContact CD2-CB 3.43Å; L23-F294 HydrophobicContact CD2-CG 4.36Å; L23-K301 HydrophobicContact CD1-CD 4.29Å; L23-K301 VanDerWaalsContact CD1-CE 3.4Å; L23-K301 HydrophobicContact CD1-CG 4.13Å; L23-F303 HydrophobicContact CD1-CE1 4.49Å; L23-F303 HydrophobicContact CD2-CE1 4.49Å
24	Q	87.3	Confident	74.2	Confident	85 Å²	85	66.2 Å²	66.2	40%	0.397	38%	0.382	S	S	.	.			trans	-86.2	149.1	-178.8	-60.1	-58.5	-42.4	0	0	112.4	I22 S26 E27	I22-Q24 PolarHBondContact O-N 3.23Å; I22-Q24 PolarHBondContact O-NE2 2.71Å; I22-Q24 VanDerWaalsContact O-NE2 3.11Å; Q24-S26 VanDerWaalsContact C-N 3.28Å; Q24-S26 PolarHBondContact O-N 3.48Å; Q24-E27 HydrophobicContact CB-CG 4.24Å; Q24-E27 PolarHBondContact N-OE1 3.18Å; Q24-E27 VanDerWaalsContact N-OE1 3.1Å; Q24-E27 WeakPolarHBondContact O-CB 3.45Å; Q24-E27 PolarHBondContact O-N 2.64Å; Q24-E27 VanDerWaalsContact O-N 3.15Å
25	P	90.6	Very high	77	Confident	47 Å²	47	61 Å²	61	31%	0.305	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-53.9	-39.9	176.9	-26.5	33.6	0	0	0	114.2	E27 V28 G29 I30 L291	P25-E27 VanDerWaalsContact C-N 3.32Å; P25-E27 PolarHBondContact O-N 2.82Å; P25-V28 VanDerWaalsContact O-CG2 3.28Å; P25-V28 WeakPolarHBondContact O-CG2 3.31Å; P25-V28 PolarHBondContact O-N 3Å; P25-G29 PolarHBondContact O-N 3.02Å; P25-I30 HydrophobicContact CB-CB 3.93Å; P25-I30 HydrophobicContact CB-CD1 4.47Å; P25-I30 HydrophobicContact CB-CG2 4.2Å; P25-I30 WeakPolarHBondContact O-CB 3.4Å; P25-I30 PolarHBondContact O-N 2.96Å; P25-L291 HydrophobicContact CG-CD1 4.19Å
26	S	90.9	Very high	79.9	Confident	82 Å²	82	59.5 Å²	59.5	57%	0.573	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-64.4	-33.6	-179.7	52.2	0	0	0	0	113	Q24 V28 G29	Q24-S26 VanDerWaalsContact C-N 3.28Å; Q24-S26 PolarHBondContact O-N 3.48Å; S26-V28 PolarHBondContact O-N 2.89Å; S26-G29 PolarHBondContact O-N 3.28Å; S26-G29 VanDerWaalsContact O-N 3.17Å
27	E	91.3	Very high	82.2	Confident	70 Å²	70	61.7 Å²	61.7	33%	0.327	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-66.6	-21	178.2	-67.4	179.9	-109	0	0	113.1	L23 Q24 P25 K301 F392	L23-E27 HydrophobicContact CD1-CB 4Å; Q24-E27 HydrophobicContact CB-CG 4.24Å; Q24-E27 PolarHBondContact N-OE1 3.18Å; Q24-E27 VanDerWaalsContact N-OE1 3.1Å; Q24-E27 WeakPolarHBondContact O-CB 3.45Å; Q24-E27 PolarHBondContact O-N 2.64Å; Q24-E27 VanDerWaalsContact O-N 3.15Å; P25-E27 VanDerWaalsContact C-N 3.32Å; P25-E27 PolarHBondContact O-N 2.82Å; E27-K301 VanDerWaalsContact OE2-CE 3.23Å; E27-K301 WeakPolarHBondContact OE2-CE 3.41Å; E27-K301 IonicContact OE2-NZ 2.76Å; E27-K301 PolarHBondContact OE2-NZ 2.6Å; E27-F392 WeakPolarHBondContact O-CE2 3.28Å
28	V	94.7	Very high	84.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-111.8	22.9	177.5	-63.3	0	0	0	0	112	L23 P25 S26 I30 L291 F294 F303 N395	L23-V28 HydrophobicContact CD1-CG1 4.2Å; L23-V28 HydrophobicContact CD2-CG1 3.71Å; L23-V28 HydrophobicContact CG-CG1 4.09Å; P25-V28 VanDerWaalsContact O-CG2 3.28Å; P25-V28 WeakPolarHBondContact O-CG2 3.31Å; P25-V28 PolarHBondContact O-N 3Å; S26-V28 PolarHBondContact O-N 2.89Å; V28-I30 VanDerWaalsContact C-N 3.32Å; V28-I30 HydrophobicContact CG2-CD1 3.63Å; V28-I30 HydrophobicContact CG2-CG1 3.97Å; V28-I30 PolarHBondContact O-N 2.74Å; V28-L291 HydrophobicContact CG2-CD2 3.72Å; V28-F294 HydrophobicContact CB-CD2 3.82Å; V28-F294 HydrophobicContact CB-CE2 3.72Å; V28-F294 HydrophobicContact CB-CG 4.27Å; V28-F294 HydrophobicContact CB-CZ 4.09Å; V28-F294 HydrophobicContact CG1-CB 4.15Å; V28-F294 HydrophobicContact CG1-CD1 4.15Å; V28-F294 HydrophobicContact CG1-CD2 3.7Å; V28-F294 HydrophobicContact CG1-CE2 4.11Å; V28-F294 HydrophobicContact CG1-CG 3.72Å; V28-F294 HydrophobicContact CG1-CZ 4.5Å; V28-F294 HydrophobicContact CG2-CD2 3.86Å; V28-F294 HydrophobicContact CG2-CE2 3.8Å; V28-F303 HydrophobicContact CG1-CD1 4.33Å; V28-F303 HydrophobicContact CG1-CE1 3.77Å; V28-F303 HydrophobicContact CG1-CZ 4.46Å; V28-N395 WeakPolarHBondContact O-CB 3.48Å; V28-N395 PolarHBondContact O-ND2 2.95Å; V28-N395 VanDerWaalsContact O-ND2 3.14Å
29	G	95.7	Very high	86.9	Confident	3 Å²	3	57.7 Å²	57.7	3%	0.031	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.9	17.4	172	0	0	0	0	0	114.4	P25 S26 S31 Y288 H396 S399	P25-G29 PolarHBondContact O-N 3.02Å; S26-G29 PolarHBondContact O-N 3.28Å; S26-G29 VanDerWaalsContact O-N 3.17Å; G29-S31 PolarHBondContact O-N 2.76Å; G29-Y288 WeakPolarHBondContact O-CE1 3.42Å; G29-H396 PolarHBondContact N-CE1 3.18Å; G29-H396 PolarHBondContact N-NE2 3.36Å; G29-S399 PolarHBondContact O-OG 3.19Å
30	I	95.6	Very high	89.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	29%	0.285	C	S	.	.			trans	-90.6	86.8	175.7	-56.2	165.7	0	0	0	108	P25 V28 Y288 Y289 L291 M604	P25-I30 HydrophobicContact CB-CB 3.93Å; P25-I30 HydrophobicContact CB-CD1 4.47Å; P25-I30 HydrophobicContact CB-CG2 4.2Å; P25-I30 WeakPolarHBondContact O-CB 3.4Å; P25-I30 PolarHBondContact O-N 2.96Å; V28-I30 VanDerWaalsContact C-N 3.32Å; V28-I30 HydrophobicContact CG2-CD1 3.63Å; V28-I30 HydrophobicContact CG2-CG1 3.97Å; V28-I30 PolarHBondContact O-N 2.74Å; I30-Y288 HydrophobicContact CB-CG 4.49Å; I30-Y288 HydrophobicContact CG1-CD1 4.26Å; I30-Y288 HydrophobicContact CG1-CG 4.08Å; I30-Y288 HydrophobicContact CG2-CD2 3.8Å; I30-Y288 HydrophobicContact CG2-CE2 4.08Å; I30-Y288 HydrophobicContact CG2-CG 4.17Å; I30-Y289 WeakPolarHBondContact CD1-O 3.23Å; I30-L291 HydrophobicContact CD1-CD2 4.44Å; I30-M604 HydrophobicContact CD1-CE 4.41Å; I30-M604 HydrophobicContact CD1-SD 3.93Å; I30-M604 HydrophobicContact CG1-SD 4.5Å; I30-M604 HydrophobicContact CG2-SD 3.96Å
31	S	94.2	Very high	91	Very high	67 Å²	67	45.3 Å²	45.3	47%	0.469	25%	0.254	S	S	.	.			trans	-130.4	-21.6	-170.9	58.6	0	0	0	0	115.6	G29 S399	G29-S31 PolarHBondContact O-N 2.76Å; S31-S399 WeakPolarHBondContact OG-CB 3.34Å; S31-S399 PolarHBondContact OG-OG 2.84Å; S31-S399 VanDerWaalsContact OG-OG 3.14Å
32	T	94.6	Very high	92	Very high	19 Å²	19	50 Å²	50	12%	0.117	28%	0.275	C	S	.	.			trans	-105.9	172.4	-176.2	71.5	0	0	0	0	112.9	Y288 S399 M402 R607	T32-Y288 PolarHBondContact N-OH 3.37Å; T32-Y288 PolarHBondContact OG1-OH 2.85Å; T32-S399 WeakPolarHBondContact CG2-O 3.32Å; T32-M402 HydrophobicContact CG2-CB 4.28Å; T32-M402 VanDerWaalsContact OG1-CB 3.24Å; T32-M402 WeakPolarHBondContact OG1-CB 3.39Å; T32-R607 PolarHBondContact O-NH1 3.31Å
33	F	95.2	Very high	92.7	Very high	39 Å²	39	47 Å²	47	17%	0.171	26%	0.262	C	S	.	.			trans	-134.6	153.8	178.8	-63.4	-82.3	0	0	0	108.7	Q35 P36 R607 E608 K611	F33-Q35 VanDerWaalsContact C-N 3.34Å; F33-P36 HydrophobicContact CB-CB 4.47Å; F33-R607 VanDerWaalsContact CD1-NH1 3.31Å; F33-R607 HydrophobicContact CE1-CG 3.98Å; F33-R607 WeakPolarHBondContact CE1-O 3.4Å; F33-E608 WeakPolarHBondContact CA-OE2 3.43Å; F33-E608 WeakPolarHBondContact CB-OE2 3.14Å; F33-K611 HydrophobicContact CD1-CD 3.49Å; F33-K611 VanDerWaalsContact CD1-CD 3.49Å; F33-K611 HydrophobicContact CD2-CD 4.29Å; F33-K611 HydrophobicContact CE1-CB 4.34Å; F33-K611 HydrophobicContact CE1-CD 3.49Å; F33-K611 VanDerWaalsContact CE1-CD 3.49Å; F33-K611 HydrophobicContact CE1-CG 4.49Å; F33-K611 HydrophobicContact CE2-CD 4.32Å; F33-K611 HydrophobicContact CG-CD 3.89Å; F33-K611 HydrophobicContact CZ-CB 4.18Å; F33-K611 HydrophobicContact CZ-CD 3.93Å; F33-K611 WeakPolarHBondContact CZ-O 3.24Å
34	V	95.6	Very high	92.9	Very high	10 Å²	10	47.8 Å²	47.8	6%	0.061	27%	0.267	C	S	.	.	S	Bend	trans	-69.4	-40	173.5	-179.5	0	0	0	0	110.2	P36 F285 V286 L410 I529 E608	V34-P36 WeakPolarHBondContact O-CD 3.4Å; V34-F285 VanDerWaalsContact CG2-C 3.47Å; V34-F285 VanDerWaalsContact CG2-CA 3.49Å; V34-V286 HydrophobicContact CG2-CG2 3.76Å; V34-L410 HydrophobicContact CG1-CD2 4.35Å; V34-I529 HydrophobicContact CG2-CD1 3.49Å; V34-I529 VanDerWaalsContact CG2-CD1 3.49Å; V34-I529 HydrophobicContact CG2-CG1 4.44Å; V34-I529 HydrophobicContact CG2-CG2 4.41Å; V34-E608 PolarHBondContact N-OE1 2.88Å; V34-E608 VanDerWaalsContact N-OE1 3.15Å; V34-E608 PolarHBondContact N-OE2 3.33Å
35	Q	93.9	Very high	92.9	Very high	23 Å²	23	43.9 Å²	43.9	11%	0.107	25%	0.249	C	C	.	.			trans	-122.2	78.4	179.8	-68.1	-67.8	-9.3	0	0	110.1	F33 L37 V38 T279 T283 E608 K611	F33-Q35 VanDerWaalsContact C-N 3.34Å; Q35-L37 PolarHBondContact O-N 2.89Å; Q35-V38 HydrophobicContact CB-CB 4.09Å; Q35-V38 HydrophobicContact CB-CG2 3.8Å; Q35-V38 HydrophobicContact CG-CG2 4.46Å; Q35-V38 PolarHBondContact O-N 2.9Å; Q35-T279 HydrophobicContact CB-CG2 4.41Å; Q35-T279 HydrophobicContact CG-CG2 3.71Å; Q35-T283 HydrophobicContact CG-CG2 4.4Å; Q35-T283 WeakPolarHBondContact CG-OG1 3.2Å; Q35-E608 PolarHBondContact N-OE1 3.29Å; Q35-K611 WeakPolarHBondContact O-CE 3.23Å; Q35-K611 PolarHBondContact O-NZ 2.7Å
36	P	92.2	Very high	92.3	Very high	73 Å²	73	43.1 Å²	43.1	47%	0.474	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.5	-178	28.4	-35.3	0	0	0	113.5	F33 V34	F33-P36 HydrophobicContact CB-CB 4.47Å; V34-P36 WeakPolarHBondContact O-CD 3.4Å
37	L	93.2	Very high	91.7	Very high	140 Å²	140	42 Å²	42	73%	0.733	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-12.4	178.7	-59.8	-178.4	0	0	0	113.5	Q35 P407	Q35-L37 PolarHBondContact O-N 2.89Å; L37-P407 HydrophobicContact CD1-CB 3.51Å; L37-P407 HydrophobicContact CD1-CG 4.2Å; L37-P407 HydrophobicContact CG-CB 3.96Å; L37-P407 HydrophobicContact CG-CG 4.43Å
38	V	93.8	Very high	91.4	Very high	30 Å²	30	40.7 Å²	40.7	18%	0.182	22%	0.22	C	C	.	.	S	Bend	trans	-81.4	122.7	175	175.1	0	0	0	0	108.3	Q35 G40 A276 T279 K611	Q35-V38 HydrophobicContact CB-CB 4.09Å; Q35-V38 HydrophobicContact CB-CG2 3.8Å; Q35-V38 HydrophobicContact CG-CG2 4.46Å; Q35-V38 PolarHBondContact O-N 2.9Å; V38-G40 PolarHBondContact O-N 2.96Å; V38-A276 HydrophobicContact CG1-CB 4.35Å; V38-T279 HydrophobicContact CG2-CG2 4.08Å; V38-K611 WeakPolarHBondContact O-CE 3.08Å
39	E	94.2	Very high	91	Very high	139 Å²	139	44.6 Å²	44.6	65%	0.65	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-59.3	133.1	177.1	-174.5	173.6	-167.2	0	0	110.8	V272	E39-V272 HydrophobicContact CB-CG1 4.28Å; E39-V272 HydrophobicContact CG-CG1 4.05Å
40	G	92.8	Very high	90.7	Very high	19 Å²	19	46.8 Å²	46.8	20%	0.196	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-91.3	172.3	172.4	0	0	0	0	0	112.2	V38 L609	V38-G40 PolarHBondContact O-N 2.96Å; G40-L609 VanDerWaalsContact CA-O 3.23Å; G40-L609 WeakPolarHBondContact CA-O 3.39Å
41	F	93.2	Very high	90.6	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.018	24%	0.244	C	C	.	.			trans	-129.9	145.8	175.3	58.7	-91.2	0	0	0	111.7	A43 L263 V266 A268 I273 A276 L609 T610	F41-A43 HydrophobicContact CD2-CB 4.39Å; F41-A43 HydrophobicContact CE2-CB 4.35Å; F41-L263 HydrophobicContact CE2-CD1 3.77Å; F41-L263 HydrophobicContact CZ-CD1 3.95Å; F41-V266 HydrophobicContact CD2-CG1 3.83Å; F41-V266 HydrophobicContact CE2-CG1 4.32Å; F41-A268 HydrophobicContact CB-CB 3.45Å; F41-A268 VanDerWaalsContact CB-CB 3.45Å; F41-I273 HydrophobicContact CB-CG1 4.4Å; F41-I273 HydrophobicContact CD1-CB 4.44Å; F41-I273 HydrophobicContact CD1-CG1 3.94Å; F41-I273 HydrophobicContact CD2-CG1 4.36Å; F41-I273 HydrophobicContact CE1-CB 4.43Å; F41-I273 HydrophobicContact CE1-CG1 4.28Å; F41-I273 HydrophobicContact CE1-CG2 4.16Å; F41-I273 HydrophobicContact CG-CG1 3.98Å; F41-I273 HydrophobicContact CZ-CG2 4.28Å; F41-A276 HydrophobicContact CD1-CB 4.26Å; F41-A276 HydrophobicContact CE1-CB 4.11Å; F41-L609 HydrophobicContact CE1-CB 4Å; F41-L609 HydrophobicContact CZ-CB 4.14Å; F41-T610 HydrophobicContact CD2-CG2 4.43Å; F41-T610 HydrophobicContact CE2-CG2 4.09Å; F41-T610 HydrophobicContact CZ-CG2 4.4Å; F41-T610 PolarHBondContact N-O 2.94Å; F41-T610 WeakPolarHBondContact O-CA 3.41Å; F41-T610 WeakPolarHBondContact O-CB 3.41Å
42	E	91.5	Very high	90.5	Very high	116 Å²	116	44.4 Å²	44.4	54%	0.542	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.3	176.7	-63.9	-169.2	167	0	0	111.3	V266 C267	E42-V266 WeakPolarHBondContact O-CA 3.22Å; E42-C267 PolarHBondContact O-N 2.59Å
43	A	91.4	Very high	90.6	Very high	12 Å²	12	43.7 Å²	43.7	10%	0.099	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	157	174.1	0	0	0	0	0	111.4	F41 L263 V266	F41-A43 HydrophobicContact CD2-CB 4.39Å; F41-A43 HydrophobicContact CE2-CB 4.35Å; A43-L263 HydrophobicContact CB-CB 3.89Å; A43-V266 HydrophobicContact CB-CG2 3.98Å
44	T	89	Confident	90.7	Very high	21 Å²	21	42.2 Å²	42.2	13%	0.129	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117	170.9	-51.8	0	0	0	0	110.1	N47 R264 K616	T44-N47 HydrophobicContact CG2-CB 3.87Å; T44-R264 PolarHBondContact N-O 3.2Å; T44-R264 PolarHBondContact O-N 2.94Å; T44-K616 HydrophobicContact CG2-CD 3.85Å; T44-K616 HydrophobicContact CG2-CG 4.02Å
45	L	87	Confident	90.8	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	145.6	173.1	-179.1	62.4	0	0	0	110.7	N47 V261 L263 T603 I606 E615	L45-N47 PolarHBondContact O-N 3.24Å; L45-N47 VanDerWaalsContact O-N 3.16Å; L45-V261 HydrophobicContact CD1-CG1 3.31Å; L45-L263 HydrophobicContact CD1-CD2 3.91Å; L45-T603 HydrophobicContact CD2-CG2 4.32Å; L45-I606 HydrophobicContact CD1-CD1 4.13Å; L45-I606 HydrophobicContact CD2-CD1 4.14Å; L45-E615 HydrophobicContact CD2-CG 4.37Å
46	K	79.1	Confident	91	Very high	31 Å²	31	41.6 Å²	41.6	14%	0.135	21%	0.211	C	C	.	.			trans	56.2	27.8	175.7	-72	173	178.1	174.6	0	114.7	R48 R210	K46-R48 CarbonylContact C-O 3.58Å; K46-R48 PolarHBondContact O-N 2.71Å; K46-R210 PolarHBondContact O-NH2 3.49Å
47	N	77.2	Confident	91.3	Very high	59 Å²	59	39 Å²	39	32%	0.316	19%	0.192	S	C	.	.	S	Bend	trans	-55.7	-35.6	171.1	-171.5	70.4	0	0	0	111.5	T44 L45	T44-N47 HydrophobicContact CG2-CB 3.87Å; L45-N47 PolarHBondContact O-N 3.24Å; L45-N47 VanDerWaalsContact O-N 3.16Å
48	R	85.3	Confident	91.3	Very high	42 Å²	42	36.6 Å²	36.6	16%	0.158	17%	0.173	C	C	.	.	S	Bend	trans	-117.1	145	161.5	-57.5	-179.5	57	-155.8	-7.4	108.8	K46 E50 D51 G546 I547	K46-R48 CarbonylContact C-O 3.58Å; K46-R48 PolarHBondContact O-N 2.71Å; R48-E50 WeakPolarHBondContact CB-OE2 3.36Å; R48-E50 IonicContact CZ-OE1 2.86Å; R48-E50 IonicContact NE-OE1 3.25Å; R48-E50 IonicContact NE-OE2 3.79Å; R48-E50 IonicContact NH2-OE1 3.41Å; R48-E50 PolarHBondContact NH2-OE1 2.94Å; R48-E50 IonicContact NH2-OE2 3.75Å; R48-E50 PolarHBondContact O-N 3.3Å; R48-D51 HydrophobicContact CB-CB 4.32Å; R48-D51 WeakPolarHBondContact CB-OD2 3.36Å; R48-D51 WeakPolarHBondContact O-CB 3.41Å; R48-D51 PolarHBondContact O-N 2.84Å; R48-G546 PolarHBondContact NH1-O 3.36Å; R48-G546 VanDerWaalsContact NH1-O 3.14Å; R48-I547 VanDerWaalsContact NH1-C 3.25Å; R48-I547 PolarHBondContact NH1-O 3.39Å
49	W	85.7	Confident	91.2	Very high	81 Å²	81	37.1 Å²	37.1	31%	0.307	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-74.6	-20.9	176.4	62.5	-90.3	0	0	0	111.3	D51 E179 R210 I212	W49-D51 VanDerWaalsContact C-N 3.31Å; W49-E179 HydrophobicContact CH2-CB 3.65Å; W49-E179 HydrophobicContact CH2-CG 3.95Å; W49-E179 HydrophobicContact CZ3-CB 3.66Å; W49-E179 HydrophobicContact CZ3-CG 4.46Å; W49-R210 HydrophobicContact CB-CB 4.27Å; W49-I212 HydrophobicContact CE3-CG1 4.4Å; W49-I212 HydrophobicContact CH2-CG1 4.47Å; W49-I212 HydrophobicContact CZ3-CG1 3.71Å
50	E	90	Very high	91	Very high	50 Å²	50	38.4 Å²	38.4	23%	0.234	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-75.1	-17.7	175.5	-53.7	97.4	119.8	0	0	113.5	R48 F52 I212	R48-E50 WeakPolarHBondContact CB-OE2 3.36Å; R48-E50 IonicContact CZ-OE1 2.86Å; R48-E50 IonicContact NE-OE1 3.25Å; R48-E50 IonicContact NE-OE2 3.79Å; R48-E50 IonicContact NH2-OE1 3.41Å; R48-E50 PolarHBondContact NH2-OE1 2.94Å; R48-E50 IonicContact NH2-OE2 3.75Å; R48-E50 PolarHBondContact O-N 3.3Å; E50-F52 PolarHBondContact O-N 2.83Å; E50-I212 HydrophobicContact CB-CD1 3.86Å; E50-I212 HydrophobicContact CB-CG1 4.48Å; E50-I212 HydrophobicContact CG-CD1 4.18Å
51	D	92.7	Very high	91.1	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-73.2	-0.3	175.7	-75.4	-22.2	0	0	0	112.9	R48 W49 V261 V262 R264	R48-D51 HydrophobicContact CB-CB 4.32Å; R48-D51 WeakPolarHBondContact CB-OD2 3.36Å; R48-D51 WeakPolarHBondContact O-CB 3.41Å; R48-D51 PolarHBondContact O-N 2.84Å; W49-D51 VanDerWaalsContact C-N 3.31Å; D51-V261 WeakPolarHBondContact O-CA 3.46Å; D51-V262 HydrophobicContact CB-CB 3.79Å; D51-V262 HydrophobicContact CB-CG2 3.93Å; D51-V262 PolarHBondContact O-N 3.23Å; D51-R264 IonicContact OD1-CZ 3.13Å; D51-R264 IonicContact OD1-NE 2.89Å; D51-R264 IonicContact OD1-NH2 2.63Å; D51-R264 PolarHBondContact OD1-NH2 2.73Å; D51-R264 IonicContact OD2-CZ 3.84Å; D51-R264 IonicContact OD2-NE 2.94Å; D51-R264 PolarHBondContact OD2-NE 2.85Å; D51-R264 IonicContact OD2-NH2 3.87Å; D51-R264 PolarHBondContact OD2-NH2 2.8Å
52	F	94	Very high	91.4	Very high	17 Å²	17	43.6 Å²	43.6	8%	0.075	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	98.1	-178.8	-162.9	-92.5	0	0	0	109.3	E50 V54 A211 I212 F259 V261 A602	E50-F52 PolarHBondContact O-N 2.83Å; F52-V54 HydrophobicContact CD1-CG2 3.63Å; F52-V54 HydrophobicContact CE1-CG2 3.32Å; F52-V54 HydrophobicContact CZ-CG2 4.33Å; F52-A211 HydrophobicContact CD1-CB 3.77Å; F52-A211 WeakPolarHBondContact O-CA 3.23Å; F52-A211 WeakPolarHBondContact O-CB 3.47Å; F52-I212 PolarHBondContact O-N 2.71Å; F52-F259 HydrophobicContact CE1-CD1 4.08Å; F52-F259 HydrophobicContact CE1-CE1 4.19Å; F52-F259 HydrophobicContact CE2-CD1 4.47Å; F52-F259 AromaticContact CZ-CD1 3.72Å; F52-F259 HydrophobicContact CZ-CD1 3.72Å; F52-F259 AromaticContact CZ-CE1 3.95Å; F52-F259 HydrophobicContact CZ-CE1 3.95Å; F52-V261 HydrophobicContact CD2-CB 4.4Å; F52-V261 HydrophobicContact CD2-CG1 4.01Å; F52-V261 HydrophobicContact CD2-CG2 3.69Å; F52-V261 HydrophobicContact CE2-CG1 4.35Å; F52-V261 HydrophobicContact CE2-CG2 3.59Å; F52-A602 HydrophobicContact CE2-CB 4.39Å; F52-A602 HydrophobicContact CZ-CB 4.05Å
53	I	96.5	Very high	91.7	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131	177.9	-53.1	174.7	0	0	0	109.1	R55 I212 F259 V260 V550 K551	I53-R55 HydrophobicContact CG2-CG 4.3Å; I53-I212 CarbonylContact C-O 3.5Å; I53-I212 VanDerWaalsContact CA-O 3.25Å; I53-I212 WeakPolarHBondContact CA-O 3.41Å; I53-I212 HydrophobicContact CG1-CB 4.37Å; I53-F259 WeakPolarHBondContact O-CA 3.03Å; I53-V260 HydrophobicContact CB-CB 4.1Å; I53-V260 PolarHBondContact N-O 3.02Å; I53-V260 PolarHBondContact O-N 2.82Å; I53-V550 HydrophobicContact CD1-CB 4.16Å; I53-V550 HydrophobicContact CD1-CG2 3.83Å; I53-V550 HydrophobicContact CG1-CG2 4.41Å; I53-K551 WeakPolarHBondContact CD1-O 3.29Å
54	V	97.3	Very high	91.9	Very high	9 Å²	9	43.3 Å²	43.3	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.3	177.8	-169.2	0	0	0	0	109.9	F52 K207 A211 I212 T213 T214 N257 Q258 F259	F52-V54 HydrophobicContact CD1-CG2 3.63Å; F52-V54 HydrophobicContact CE1-CG2 3.32Å; F52-V54 HydrophobicContact CZ-CG2 4.33Å; V54-K207 HydrophobicContact CG1-CD 4.45Å; V54-A211 HydrophobicContact CG2-CB 4.28Å; V54-I212 PolarHBondContact N-O 2.74Å; V54-T213 HydrophobicContact CB-CG2 3.9Å; V54-T213 HydrophobicContact CG2-CG2 4.18Å; V54-T213 CarbonylContact O-C 3.52Å; V54-T213 WeakPolarHBondContact O-CA 3.36Å; V54-T214 PolarHBondContact O-N 3.3Å; V54-N257 HydrophobicContact CG1-CB 3.79Å; V54-Q258 CarbonylContact C-O 3.58Å; V54-Q258 WeakPolarHBondContact CA-O 3.32Å; V54-F259 HydrophobicContact CB-CE1 4.48Å; V54-F259 HydrophobicContact CG1-CD1 4.2Å; V54-F259 HydrophobicContact CG1-CE1 3.82Å; V54-F259 HydrophobicContact CG1-CZ 4.32Å; V54-F259 HydrophobicContact CG2-CD1 3.9Å; V54-F259 HydrophobicContact CG2-CE1 3.89Å
55	R	97.5	Very high	92.3	Very high	19 Å²	19	42.5 Å²	42.5	7%	0.072	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.1	176	-51.8	-167.4	178.8	83.7	3	109.9	I53 T214 N257 Q258 D553	I53-R55 HydrophobicContact CG2-CG 4.3Å; R55-T214 WeakPolarHBondContact CG-OG1 3.36Å; R55-N257 CarbonylContact O-C 3.56Å; R55-N257 VanDerWaalsContact O-CA 3.32Å; R55-N257 WeakPolarHBondContact O-CA 3.29Å; R55-Q258 HydrophobicContact CB-CB 4.34Å; R55-Q258 PolarHBondContact N-O 2.81Å; R55-Q258 PolarHBondContact O-N 3.49Å; R55-D553 IonicContact CZ-OD1 3.75Å; R55-D553 IonicContact NE-OD1 3.89Å; R55-D553 PolarHBondContact NE-OD1 3.26Å; R55-D553 IonicContact NE-OD2 3.69Å; R55-D553 PolarHBondContact NE-OD2 3.16Å; R55-D553 IonicContact NH2-OD1 3.82Å; R55-D553 PolarHBondContact NH2-OD1 3.22Å
56	E	97.7	Very high	92.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	148	172.3	-167	166.5	107.7	0	0	111.3	Y62 A63 A204 K207 T214 Q215 F216 L254	E56-Y62 WeakPolarHBondContact O-CA 3.23Å; E56-A63 HydrophobicContact CB-CB 4.17Å; E56-A63 PolarHBondContact O-N 2.87Å; E56-A204 WeakPolarHBondContact OE1-CB 3.37Å; E56-K207 WeakPolarHBondContact OE2-CE 3.32Å; E56-K207 IonicContact OE2-NZ 3.83Å; E56-K207 PolarHBondContact OE2-NZ 2.97Å; E56-T214 PolarHBondContact N-O 3.25Å; E56-Q215 HydrophobicContact CB-CB 4.35Å; E56-F216 HydrophobicContact CB-CD2 4.43Å; E56-F216 HydrophobicContact CG-CD2 4.2Å; E56-F216 WeakPolarHBondContact OE1-CD2 3.29Å; E56-L254 HydrophobicContact CG-CB 3.56Å; E56-L254 HydrophobicContact CG-CD1 3.81Å; E56-L254 HydrophobicContact CG-CG 4.33Å
57	F	97.3	Very high	93.7	Very high	18 Å²	18	47.9 Å²	47.9	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.1	170.4	74	-95.1	0	0	0	112.9	N61 Y62 D255 G256 N257 N595	F57-N61 CarbonylContact C-O 3.53Å; F57-N61 VanDerWaalsContact CA-O 3.23Å; F57-N61 WeakPolarHBondContact CA-O 3.38Å; F57-Y62 HydrophobicContact CB-CD1 3.6Å; F57-Y62 HydrophobicContact CB-CE1 3.78Å; F57-Y62 HydrophobicContact CB-CG 4.01Å; F57-Y62 HydrophobicContact CD1-CE1 4.15Å; F57-Y62 HydrophobicContact CG-CD1 4.37Å; F57-Y62 HydrophobicContact CG-CE1 4.09Å; F57-D255 HydrophobicContact CD2-CB 4.04Å; F57-D255 HydrophobicContact CE2-CB 3.66Å; F57-D255 HydrophobicContact CZ-CB 4.44Å; F57-D255 PolarHBondContact O-N 3.38Å; F57-D255 VanDerWaalsContact O-N 3.07Å; F57-G256 VanDerWaalsContact CD1-C 3.42Å; F57-G256 WeakPolarHBondContact CD1-O 3.25Å; F57-G256 PolarHBondContact N-O 3.46Å; F57-N257 VanDerWaalsContact CE1-N 3.32Å; F57-N595 HydrophobicContact CE1-CB 4.01Å; F57-N595 HydrophobicContact CZ-CB 4.42Å
58	R	94.1	Very high	94.6	Very high	90 Å²	90	47.1 Å²	47.1	34%	0.34	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	114.4	175.2	-62.7	180	75.9	-170.3	6.6	108.4	Q60 N61 F216 D253 D255	R58-Q60 PolarHBondContact O-N 3.27Å; R58-N61 PolarHBondContact N-O 2.83Å; R58-N61 WeakPolarHBondContact O-CA 3.43Å; R58-N61 VanDerWaalsContact O-CB 3.32Å; R58-N61 WeakPolarHBondContact O-CB 3.46Å; R58-N61 PolarHBondContact O-N 3.38Å; R58-F216 HydrophobicContact CB-CE2 4.44Å; R58-F216 HydrophobicContact CG-CD2 4.16Å; R58-F216 HydrophobicContact CG-CE2 4.05Å; R58-D253 PolarHBondContact NE-O 2.68Å; R58-D253 IonicContact NH2-OD2 2.79Å; R58-D255 WeakPolarHBondContact CA-OD2 3Å
59	G	91.1	Very high	95.2	Very high	41 Å²	41	49 Å²	49	42%	0.423	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-123.6	-166.1	0	0	0	0	0	110.3	D255	G59-D255 PolarHBondContact N-OD2 2.9Å
60	Q	91.2	Very high	95.6	Very high	167 Å²	167	48 Å²	48	78%	0.78	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	2.7	174.6	-60.9	-58.8	-32.1	0	0	113.4	R58 Y62	R58-Q60 PolarHBondContact O-N 3.27Å; Q60-Y62 WeakPolarHBondContact O-CD2 3.31Å
61	N	95.3	Very high	95.7	Very high	97 Å²	97	48.2 Å²	48.2	52%	0.519	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	116.7	-179	-171.4	16.7	0	0	0	110.8	F57 R58	F57-N61 CarbonylContact C-O 3.53Å; F57-N61 VanDerWaalsContact CA-O 3.23Å; F57-N61 WeakPolarHBondContact CA-O 3.38Å; R58-N61 PolarHBondContact N-O 2.83Å; R58-N61 WeakPolarHBondContact O-CA 3.43Å; R58-N61 VanDerWaalsContact O-CB 3.32Å; R58-N61 WeakPolarHBondContact O-CB 3.46Å; R58-N61 PolarHBondContact O-N 3.38Å
62	Y	97.8	Very high	95.5	Very high	35 Å²	35	53.7 Å²	53.7	14%	0.137	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	138.5	175.9	-64.7	-101.7	0	0	0	109.1	E56 F57 Q60 R64 Q258 N534 N595	E56-Y62 WeakPolarHBondContact O-CA 3.23Å; F57-Y62 HydrophobicContact CB-CD1 3.6Å; F57-Y62 HydrophobicContact CB-CE1 3.78Å; F57-Y62 HydrophobicContact CB-CG 4.01Å; F57-Y62 HydrophobicContact CD1-CE1 4.15Å; F57-Y62 HydrophobicContact CG-CD1 4.37Å; F57-Y62 HydrophobicContact CG-CE1 4.09Å; Q60-Y62 WeakPolarHBondContact O-CD2 3.31Å; Y62-R64 PolarHBondContact O-N 3.49Å; Y62-Q258 HydrophobicContact CD1-CB 4.06Å; Y62-Q258 HydrophobicContact CE1-CB 3.9Å; Y62-Q258 HydrophobicContact CE1-CG 4.47Å; Y62-N534 PolarHBondContact OH-ND2 3.27Å; Y62-N595 PolarHBondContact OH-ND2 3.25Å
63	A	97.7	Very high	95.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.			trans	-68.8	73.2	173	0	0	0	0	0	109.8	E56 V175 T214 F216	E56-A63 HydrophobicContact CB-CB 4.17Å; E56-A63 PolarHBondContact O-N 2.87Å; A63-V175 HydrophobicContact CB-CG1 4.29Å; A63-V175 HydrophobicContact CB-CG2 4.17Å; A63-T214 WeakPolarHBondContact O-CB 3.49Å; A63-T214 PolarHBondContact O-OG1 3.23Å; A63-F216 VanDerWaalsContact CA-CZ 3.49Å; A63-F216 HydrophobicContact CB-CD1 3.88Å; A63-F216 HydrophobicContact CB-CD2 3.99Å; A63-F216 HydrophobicContact CB-CE1 3.7Å; A63-F216 HydrophobicContact CB-CE2 3.81Å; A63-F216 HydrophobicContact CB-CG 4.04Å; A63-F216 HydrophobicContact CB-CZ 3.67Å; A63-F216 VanDerWaalsContact N-CZ 3.27Å
64	R	96.8	Very high	94.1	Very high	122 Å²	122	56.8 Å²	56.8	46%	0.46	31%	0.305	S	S	.	.			trans	-96.4	130.3	176.9	-71.8	-177.9	178.4	-171.2	-1.5	109.4	Y62 T66 N241 D553	Y62-R64 PolarHBondContact O-N 3.49Å; R64-T66 HydrophobicContact CB-CG2 3.94Å; R64-T66 PolarHBondContact O-N 2.84Å; R64-N241 VanDerWaalsContact O-CG 3.24Å; R64-N241 PolarHBondContact O-ND2 3.11Å; R64-N241 PolarHBondContact O-OD1 3.18Å; R64-N241 VanDerWaalsContact O-OD1 3.12Å; R64-D553 VanDerWaalsContact CA-OD2 3.32Å; R64-D553 WeakPolarHBondContact CA-OD2 3.24Å
65	L	97.8	Very high	92.7	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.016	34%	0.336	C	S	.	.			trans	-83.2	100.6	173.8	-173.2	74.6	0	0	0	109.2	L68 V175 Y177 T214 R238 N241 D553 L557	L65-L68 HydrophobicContact CD1-CD2 3.81Å; L65-L68 HydrophobicContact CD2-CD2 4.01Å; L65-L68 HydrophobicContact CG-CD2 4.07Å; L65-V175 HydrophobicContact CB-CG1 4.2Å; L65-V175 HydrophobicContact CD1-CB 4.45Å; L65-V175 HydrophobicContact CD1-CG1 4.39Å; L65-Y177 HydrophobicContact CD2-CD2 4.41Å; L65-Y177 HydrophobicContact CD2-CG 4.16Å; L65-T214 HydrophobicContact CB-CG2 4.43Å; L65-R238 HydrophobicContact CD2-CB 3.58Å; L65-R238 HydrophobicContact CD2-CG 4.41Å; L65-N241 WeakPolarHBondContact CA-OD1 3.32Å; L65-D553 HydrophobicContact CB-CB 3.94Å; L65-D553 PolarHBondContact N-OD2 3.02Å; L65-L557 HydrophobicContact CD2-CD2 4.4Å; L65-L557 HydrophobicContact CG-CD2 4.23Å
66	T	96.7	Very high	90.7	Very high	86 Å²	86	65 Å²	65	53%	0.528	36%	0.358	S	S	.	.			trans	-121.9	-9.9	-176.5	63.3	0	0	0	0	113.6	R64 N241 L557	R64-T66 HydrophobicContact CB-CG2 3.94Å; R64-T66 PolarHBondContact O-N 2.84Å; T66-N241 PolarHBondContact N-OD1 2.81Å; T66-N241 PolarHBondContact OG1-ND2 3.11Å; T66-L557 WeakPolarHBondContact O-CD1 3.26Å
67	D	97.3	Very high	88.4	Confident	62 Å²	62	70.5 Å²	70.5	33%	0.332	38%	0.384	S	S	.	.			trans	-151.9	134.2	-177.7	-175.1	7.5	0	0	0	110.3	T69 G240 N241	D67-T69 VanDerWaalsContact CG-OG1 3.25Å; D67-T69 WeakPolarHBondContact OD1-CB 3.27Å; D67-T69 VanDerWaalsContact OD1-CG2 3.31Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.45Å; D67-T69 PolarHBondContact OD1-N 2.9Å; D67-T69 PolarHBondContact OD1-OG1 2.9Å; D67-T69 PolarHBondContact OD2-OG1 2.96Å; D67-G240 CarbonylContact O-C 3.52Å; D67-G240 WeakPolarHBondContact O-CA 3.33Å; D67-N241 PolarHBondContact N-OD1 2.75Å; D67-N241 PolarHBondContact O-N 2.83Å; D67-N241 PolarHBondContact O-OD1 3.18Å
68	L	97.3	Very high	86	Confident	44 Å²	44	74 Å²	74	23%	0.23	42%	0.416	C	S	.	.			trans	-106.9	-3.7	176.6	-53.1	-177	0	0	0	112.7	L65 S228 R238 L557	L65-L68 HydrophobicContact CD1-CD2 3.81Å; L65-L68 HydrophobicContact CD2-CD2 4.01Å; L65-L68 HydrophobicContact CG-CD2 4.07Å; L68-S228 PolarHBondContact O-OG 3.07Å; L68-R238 HydrophobicContact CD2-CB 4.48Å; L68-L557 HydrophobicContact CD1-CD2 4.16Å; L68-L557 HydrophobicContact CD2-CD2 3.83Å; L68-L557 HydrophobicContact CG-CD2 3.71Å
69	T	96.5	Very high	83.9	Confident	81 Å²	81	74 Å²	74	50%	0.497	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-71.5	134.6	-173.2	65.4	0	0	0	0	110.9	D67 F242	D67-T69 VanDerWaalsContact CG-OG1 3.25Å; D67-T69 WeakPolarHBondContact OD1-CB 3.27Å; D67-T69 VanDerWaalsContact OD1-CG2 3.31Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.45Å; D67-T69 PolarHBondContact OD1-N 2.9Å; D67-T69 PolarHBondContact OD1-OG1 2.9Å; D67-T69 PolarHBondContact OD2-OG1 2.96Å; T69-F242 WeakPolarHBondContact O-CD2 3.09Å
70	P	94.9	Very high	81.8	Confident	61 Å²	61	74.8 Å²	74.8	40%	0.396	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-71.8	145.5	175.5	31.1	-33.8	0	0	0	110.5	K225	P70-K225 HydrophobicContact CB-CB 4.24Å
71	I	93.2	Very high	79.8	Confident	54 Å²	54	74.4 Å²	74.4	28%	0.277	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-97.5	152.8	175.5	59.9	165.1	0	0	0	111.5	S224 F242 Y244	I71-S224 PolarHBondContact N-OG 3.07Å; I71-S224 VanDerWaalsContact N-OG 3.08Å; I71-S224 PolarHBondContact O-OG 2.94Å; I71-F242 HydrophobicContact CD1-CB 4.28Å; I71-F242 HydrophobicContact CG1-CB 3.98Å; I71-Y244 HydrophobicContact CD1-CD2 3.58Å; I71-Y244 HydrophobicContact CD1-CE2 3.64Å; I71-Y244 HydrophobicContact CG1-CD2 4.21Å; I71-Y244 HydrophobicContact CG1-CE2 3.73Å
72	P	88.1	Confident	78	Confident	118 Å²	118	74.4 Å²	74.4	77%	0.766	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-55.9	141	175.6	-23.9	34	0	0	0	112.4	Y244	P72-Y244 VanDerWaalsContact O-CE2 3.29Å; P72-Y244 WeakPolarHBondContact O-CE2 3.45Å
73	D	84.5	Confident	76.2	Confident	57 Å²	57	73.9 Å²	73.9	31%	0.305	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-61.6	148	176.4	-67.9	-13	0	0	0	110.6	T75 N223 Y244	D73-T75 PolarHBondContact O-N 3.14Å; D73-N223 WeakPolarHBondContact OD1-CB 3.3Å; D73-N223 PolarHBondContact OD1-ND2 2.8Å; D73-N223 PolarHBondContact OD2-ND2 2.93Å; D73-Y244 PolarHBondContact OD1-OH 3.35Å
74	P	75.1	Confident	74.4	Confident	29 Å²	29	78.3 Å²	78.3	19%	0.188	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-59.2	125.1	-179.3	-18	30.4	0	0	0	109.7	A169 Y244	P74-A169 HydrophobicContact CG-CB 4.14Å; P74-Y244 HydrophobicContact CG-CD1 4.01Å; P74-Y244 HydrophobicContact CG-CD2 3.57Å; P74-Y244 HydrophobicContact CG-CE2 4.1Å; P74-Y244 HydrophobicContact CG-CG 3.51Å
75	T	68	Low	73.1	Confident	115 Å²	115	79.8 Å²	79.8	71%	0.706	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-62	142.8	170.8	48.7	0	0	0	0	108.9	D73 E77	D73-T75 PolarHBondContact O-N 3.14Å; T75-E77 PolarHBondContact O-N 3.14Å
76	P	56.7	Low	71.8	Confident	84 Å²	84	84 Å²	84	55%	0.545	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-52.8	129.6	165.1	-20.4	31.7	0	0	0	108.7
77	E	49.9	Very low	71.1	Confident	116 Å²	116	79.9 Å²	79.9	54%	0.542	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-56.1	163.3	177.6	-74	165.7	-165	0	0	111.9	T75 N79 S168	T75-E77 PolarHBondContact O-N 3.14Å; E77-N79 PolarHBondContact O-N 3.36Å; E77-S168 WeakPolarHBondContact OE1-CB 3.04Å; E77-S168 PolarHBondContact OE1-OG 2.89Å
78	A	45.1	Very low	70.2	Confident	91 Å²	91	83 Å²	83	75%	0.752	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.3	15.4	-176.6	0	0	0	0	0	118.6	D80	A78-D80 PolarHBondContact O-N 3.35Å; A78-D80 VanDerWaalsContact O-N 3.16Å
79	N	50.4	Low	69.5	Low	90 Å²	90	86.9 Å²	86.9	48%	0.481	47%	0.473	S	S	.	.	H	α-helix	trans	-51.9	-23.2	160	-75.9	-41.8	0	0	0	112.5	E77 F81 I82 M83	E77-N79 PolarHBondContact O-N 3.36Å; N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 PolarHBondContact O-N 3Å; N79-I82 PolarHBondContact O-N 3.23Å; N79-M83 HydrophobicContact CB-CE 4.3Å; N79-M83 HydrophobicContact CB-CG 4.15Å; N79-M83 WeakPolarHBondContact O-CB 3.25Å; N79-M83 WeakPolarHBondContact O-CG 3.29Å; N79-M83 PolarHBondContact O-N 3.44Å
80	D	48.3	Very low	69	Low	59 Å²	59	86 Å²	86	32%	0.316	46%	0.463	S	S	.	.	H	α-helix	trans	-52.3	-38.7	-178.4	-70.2	-11.6	0	0	0	113.4	A78 M83 E84 L126	A78-D80 PolarHBondContact O-N 3.35Å; A78-D80 VanDerWaalsContact O-N 3.16Å; D80-M83 WeakPolarHBondContact O-CB 3.5Å; D80-M83 PolarHBondContact O-N 3.01Å; D80-E84 PolarHBondContact O-N 3.23Å; D80-L126 HydrophobicContact CB-CD2 4.17Å
81	F	48.6	Very low	68.5	Low	159 Å²	159	84.5 Å²	84.5	70%	0.697	45%	0.452	S	S	*	.	H	α-helix	trans	-69.2	-39.8	176.8	-170.9	-100	0	0	0	113	N79 M83 K85	N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 PolarHBondContact O-N 3Å; F81-M83 VanDerWaalsContact C-N 3.27Å; F81-M83 PolarHBondContact O-N 3.07Å; F81-K85 PolarHBondContact O-N 3.42Å
82	I	57.9	Low	68.2	Low	96 Å²	96	85.6 Å²	85.6	49%	0.492	46%	0.464	S	S	.	.	H	α-helix	trans	-68	-33.5	174.4	-62.3	176.3	0	0	0	110.3	N79 K86	N79-I82 PolarHBondContact O-N 3.23Å; I82-K86 WeakPolarHBondContact O-CG 3.27Å; I82-K86 PolarHBondContact O-N 2.98Å
83	M	59	Low	68.2	Low	25 Å²	25	80.6 Å²	80.6	12%	0.123	43%	0.434	C	S	.	.	H	α-helix	trans	-72	-38	-179.2	-61.9	-105.2	-115.5	0	0	111.3	N79 D80 F81 K86 L87 Q121 A122 A125	N79-M83 HydrophobicContact CB-CE 4.3Å; N79-M83 HydrophobicContact CB-CG 4.15Å; N79-M83 WeakPolarHBondContact O-CB 3.25Å; N79-M83 WeakPolarHBondContact O-CG 3.29Å; N79-M83 PolarHBondContact O-N 3.44Å; D80-M83 WeakPolarHBondContact O-CB 3.5Å; D80-M83 PolarHBondContact O-N 3.01Å; F81-M83 VanDerWaalsContact C-N 3.27Å; F81-M83 PolarHBondContact O-N 3.07Å; M83-K86 PolarHBondContact O-N 3.44Å; M83-L87 PolarHBondContact O-N 3.21Å; M83-Q121 HydrophobicContact CE-CB 4.11Å; M83-Q121 WeakPolarHBondContact CE-O 3.37Å; M83-Q121 HydrophobicContact SD-CB 4.12Å; M83-A122 HydrophobicContact CB-CB 3.64Å; M83-A122 HydrophobicContact CG-CB 4.17Å; M83-A122 WeakPolarHBondContact SD-CA 3.5Å; M83-A122 HydrophobicContact SD-CB 3.61Å; M83-A122 PolarHBondContact SD-N 3.09Å; M83-A125 HydrophobicContact CE-CB 3.59Å
84	E	60.4	Low	68.5	Low	92 Å²	92	77.9 Å²	77.9	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-65.1	-44.5	177.2	-164.5	167.4	-155.7	0	0	111.4	D80 K86 L87 E88 L91 L126	D80-E84 PolarHBondContact O-N 3.23Å; E84-K86 VanDerWaalsContact C-N 3.27Å; E84-K86 PolarHBondContact O-N 3.36Å; E84-L87 CarbonylContact O-C 3.51Å; E84-L87 PolarHBondContact O-N 3.28Å; E84-E88 PolarHBondContact O-N 2.81Å; E84-L91 HydrophobicContact CG-CD1 3.9Å; E84-L91 HydrophobicContact CG-CD2 4.37Å; E84-L126 HydrophobicContact CB-CD1 3.8Å; E84-L126 HydrophobicContact CG-CD1 4.14Å
85	K	69.6	Low	69	Low	153 Å²	153	80.5 Å²	80.5	67%	0.665	43%	0.429	S	S	*	.	H	α-helix	trans	-60.5	-33.5	174.3	-165.6	174.2	-176.3	175.3	0	113.2	F81 L87 E88	F81-K85 PolarHBondContact O-N 3.42Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.02Å; K85-E88 WeakPolarHBondContact O-CB 3.31Å
86	K	70.7	Confident	70	Confident	91 Å²	91	77.9 Å²	77.9	40%	0.396	41%	0.411	S	S	.	.	H	α-helix	trans	-72	-23.3	175.8	-79	178.8	-177.9	170.9	0	113.5	I82 M83 E84 Q118	I82-K86 WeakPolarHBondContact O-CG 3.27Å; I82-K86 PolarHBondContact O-N 2.98Å; M83-K86 PolarHBondContact O-N 3.44Å; E84-K86 VanDerWaalsContact C-N 3.27Å; E84-K86 PolarHBondContact O-N 3.36Å; K86-Q118 HydrophobicContact CD-CB 4.38Å; K86-Q118 VanDerWaalsContact NZ-CD 3.3Å
87	L	80.6	Confident	71.5	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-102.1	1.1	179	-67.8	177	0	0	0	112.9	M83 E84 K85 V89 H90 L91 L94 I119 A122 I123 L126	M83-L87 PolarHBondContact O-N 3.21Å; E84-L87 CarbonylContact O-C 3.51Å; E84-L87 PolarHBondContact O-N 3.28Å; K85-L87 VanDerWaalsContact C-N 3.28Å; K85-L87 PolarHBondContact O-N 3.02Å; L87-V89 PolarHBondContact O-N 2.85Å; L87-H90 CarbonylContact O-C 3.39Å; L87-H90 WeakPolarHBondContact O-CA 3.23Å; L87-H90 PolarHBondContact O-N 3.17Å; L87-L91 HydrophobicContact CB-CD2 4.19Å; L87-L91 HydrophobicContact CB-CG 4.36Å; L87-L91 WeakPolarHBondContact O-CG 3.19Å; L87-L91 PolarHBondContact O-N 3.17Å; L87-L94 HydrophobicContact CB-CD1 4.3Å; L87-L94 HydrophobicContact CD1-CD1 3.9Å; L87-L94 HydrophobicContact CD2-CD1 4.08Å; L87-L94 HydrophobicContact CG-CD1 4.33Å; L87-I119 HydrophobicContact CD2-CG2 3.94Å; L87-A122 HydrophobicContact CD1-CB 3.5Å; L87-A122 HydrophobicContact CD2-CB 4.34Å; L87-A122 HydrophobicContact CG-CB 3.75Å; L87-I123 HydrophobicContact CD1-CG1 3.93Å; L87-I123 HydrophobicContact CD2-CD1 4.41Å; L87-I123 HydrophobicContact CD2-CG1 3.83Å; L87-L126 HydrophobicContact CD1-CD1 4.13Å
88	E	79.2	Confident	73.2	Confident	128 Å²	128	70.4 Å²	70.4	60%	0.598	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-47.9	-44.1	-170	-168.6	169.1	-169.6	0	0	113	E84 K85 H90	E84-E88 PolarHBondContact O-N 2.81Å; K85-E88 WeakPolarHBondContact O-CB 3.31Å; E88-H90 VanDerWaalsContact C-N 3.29Å; E88-H90 PolarHBondContact O-N 3.35Å
89	V	83	Confident	75	Confident	125 Å²	125	74.4 Å²	74.4	76%	0.758	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-71	-22.3	179.4	-167	0	0	0	0	113.2	L87	L87-V89 PolarHBondContact O-N 2.85Å
90	H	85.8	Confident	76.5	Confident	63 Å²	63	71.9 Å²	71.9	29%	0.292	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-109.6	-2.4	-176.2	-56.9	-55.1	0	0	0	113.6	L87 E88 S92 G93 L94 I107	L87-H90 CarbonylContact O-C 3.39Å; L87-H90 WeakPolarHBondContact O-CA 3.23Å; L87-H90 PolarHBondContact O-N 3.17Å; E88-H90 VanDerWaalsContact C-N 3.29Å; E88-H90 PolarHBondContact O-N 3.35Å; H90-S92 PolarHBondContact O-N 3.23Å; H90-G93 PolarHBondContact O-N 3.06Å; H90-L94 HydrophobicContact CB-CD1 4.38Å; H90-L94 WeakPolarHBondContact O-CG 3.44Å; H90-L94 PolarHBondContact O-N 3.34Å; H90-I107 HydrophobicContact CB-CD1 3.9Å; H90-I107 HydrophobicContact CB-CG1 4.34Å; H90-I107 WeakPolarHBondContact NE2-CG2 3.25Å
91	L	85.2	Confident	78.2	Confident	30 Å²	30	74 Å²	74	16%	0.157	38%	0.375	C	S	.	.	H	α-helix	trans	-58.2	-43.5	-175.2	-82.9	176.3	0	0	0	112.8	E84 L87 L94 Q95 F127	E84-L91 HydrophobicContact CG-CD1 3.9Å; E84-L91 HydrophobicContact CG-CD2 4.37Å; L87-L91 HydrophobicContact CB-CD2 4.19Å; L87-L91 HydrophobicContact CB-CG 4.36Å; L87-L91 WeakPolarHBondContact O-CG 3.19Å; L87-L91 PolarHBondContact O-N 3.17Å; L91-L94 PolarHBondContact O-N 2.95Å; L91-Q95 WeakPolarHBondContact O-CB 3.49Å; L91-Q95 VanDerWaalsContact O-CG 3.31Å; L91-Q95 WeakPolarHBondContact O-CG 3.48Å; L91-Q95 PolarHBondContact O-N 3.18Å; L91-F127 HydrophobicContact CD2-CE2 3.92Å; L91-F127 HydrophobicContact CD2-CZ 3.94Å
92	S	85.9	Confident	80.1	Confident	76 Å²	76	69.3 Å²	69.3	53%	0.531	36%	0.357	S	S	.	.	H	α-helix	trans	-61.9	-45.3	178.5	56.5	0	0	0	0	111.9	H90 L94 Q95 N96	H90-S92 PolarHBondContact O-N 3.23Å; S92-L94 PolarHBondContact O-N 3.34Å; S92-Q95 PolarHBondContact O-N 3.2Å; S92-N96 WeakPolarHBondContact O-CB 2.96Å; S92-N96 PolarHBondContact O-N 2.64Å; S92-N96 PolarHBondContact O-OD1 3.4Å
93	G	88.3	Confident	81.3	Confident	13 Å²	13	71.7 Å²	71.7	13%	0.134	37%	0.366	C	S	.	.	H	α-helix	trans	-62	-41.8	175.2	0	0	0	0	0	112.5	H90 N96 L97	H90-G93 PolarHBondContact O-N 3.06Å; G93-N96 PolarHBondContact O-N 2.99Å; G93-L97 VanDerWaalsContact O-CB 3.31Å; G93-L97 WeakPolarHBondContact O-CB 3.46Å; G93-L97 PolarHBondContact O-N 3.07Å
94	L	89.8	Confident	82.7	Confident	0 Å²	0	73 Å²	73	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-38.2	177.6	-69.7	168.3	0	0	0	112.4	L87 H90 L91 S92 S98 L105 I123 F127 L130 V145	L87-L94 HydrophobicContact CB-CD1 4.3Å; L87-L94 HydrophobicContact CD1-CD1 3.9Å; L87-L94 HydrophobicContact CD2-CD1 4.08Å; L87-L94 HydrophobicContact CG-CD1 4.33Å; H90-L94 HydrophobicContact CB-CD1 4.38Å; H90-L94 WeakPolarHBondContact O-CG 3.44Å; H90-L94 PolarHBondContact O-N 3.34Å; L91-L94 PolarHBondContact O-N 2.95Å; S92-L94 PolarHBondContact O-N 3.34Å; L94-S98 WeakPolarHBondContact O-CB 3.11Å; L94-S98 PolarHBondContact O-N 3.16Å; L94-L105 HydrophobicContact CD2-CD2 3.74Å; L94-L105 HydrophobicContact CG-CD2 3.83Å; L94-I123 HydrophobicContact CD1-CG1 4.14Å; L94-I123 HydrophobicContact CD2-CD1 4.43Å; L94-I123 HydrophobicContact CD2-CG1 4.22Å; L94-I123 HydrophobicContact CD2-CG2 4.25Å; L94-F127 HydrophobicContact CB-CD1 4.41Å; L94-F127 HydrophobicContact CB-CD2 4.05Å; L94-F127 HydrophobicContact CB-CE1 4.08Å; L94-F127 HydrophobicContact CB-CE2 3.69Å; L94-F127 HydrophobicContact CB-CG 4.4Å; L94-F127 HydrophobicContact CB-CZ 3.7Å; L94-F127 HydrophobicContact CD1-CD2 4.11Å; L94-F127 HydrophobicContact CD1-CE2 3.8Å; L94-F127 HydrophobicContact CG-CE2 4.35Å; L94-L130 HydrophobicContact CB-CD1 4.34Å; L94-L130 HydrophobicContact CD2-CD1 3.83Å; L94-V145 HydrophobicContact CD2-CB 4.44Å; L94-V145 HydrophobicContact CD2-CG1 3.92Å; L94-V145 HydrophobicContact CD2-CG2 4.37Å
95	Q	87.6	Confident	84.1	Confident	84 Å²	84	70 Å²	70	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-45.3	174.5	-74.4	175.6	-3	0	0	111.7	L91 S92 S98 R99 F127	L91-Q95 WeakPolarHBondContact O-CB 3.49Å; L91-Q95 VanDerWaalsContact O-CG 3.31Å; L91-Q95 WeakPolarHBondContact O-CG 3.48Å; L91-Q95 PolarHBondContact O-N 3.18Å; S92-Q95 PolarHBondContact O-N 3.2Å; Q95-S98 PolarHBondContact O-N 3.37Å; Q95-R99 WeakPolarHBondContact O-CG 3.46Å; Q95-R99 PolarHBondContact O-N 3.49Å; Q95-F127 HydrophobicContact CG-CE1 3.82Å; Q95-F127 HydrophobicContact CG-CZ 4.03Å
96	N	87.4	Confident	85.1	Confident	61 Å²	61	67.6 Å²	67.6	33%	0.326	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-43.9	176.3	-70.2	-4.2	0	0	0	111.2	S92 G93 S98 R99 G100 D101 I102	S92-N96 WeakPolarHBondContact O-CB 2.96Å; S92-N96 PolarHBondContact O-N 2.64Å; S92-N96 PolarHBondContact O-OD1 3.4Å; G93-N96 PolarHBondContact O-N 2.99Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 3.45Å; N96-R99 PolarHBondContact O-N 3.23Å; N96-G100 PolarHBondContact O-N 2.99Å; N96-D101 HydrophobicContact CB-CB 4.11Å; N96-D101 PolarHBondContact O-N 2.92Å; N96-I102 HydrophobicContact CB-CD1 4.42Å; N96-I102 HydrophobicContact CB-CG1 4.3Å
97	L	88.7	Confident	86	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61	-41.6	174	-178	62.9	0	0	0	111.6	G93 G100 I102 E103 L105 L130 V145 R147	G93-L97 VanDerWaalsContact O-CB 3.31Å; G93-L97 WeakPolarHBondContact O-CB 3.46Å; G93-L97 PolarHBondContact O-N 3.07Å; L97-G100 PolarHBondContact O-N 2.7Å; L97-I102 HydrophobicContact CB-CD1 4.04Å; L97-I102 HydrophobicContact CB-CG1 3.81Å; L97-I102 HydrophobicContact CD1-CG1 4.1Å; L97-I102 VanDerWaalsContact CD1-O 3.23Å; L97-I102 WeakPolarHBondContact CD1-O 3.35Å; L97-E103 VanDerWaalsContact CD1-C 3.44Å; L97-E103 VanDerWaalsContact CD1-O 3.24Å; L97-E103 WeakPolarHBondContact CD1-O 3.29Å; L97-L105 HydrophobicContact CD2-CB 3.93Å; L97-L130 HydrophobicContact CB-CD1 4.47Å; L97-L130 HydrophobicContact CB-CD2 4.42Å; L97-L130 HydrophobicContact CD2-CD1 4Å; L97-L130 HydrophobicContact CD2-CD2 3.9Å; L97-L130 HydrophobicContact CG-CD1 4.31Å; L97-L130 HydrophobicContact CG-CD2 3.69Å; L97-V145 HydrophobicContact CD2-CB 3.88Å; L97-V145 HydrophobicContact CD2-CG1 3.69Å; L97-V145 VanDerWaalsContact CD2-O 3.27Å; L97-V145 WeakPolarHBondContact CD2-O 3.41Å; L97-R147 HydrophobicContact CD1-CG 4.25Å; L97-R147 HydrophobicContact CG-CG 4.37Å; L97-R147 VanDerWaalsContact O-CD 3.26Å; L97-R147 WeakPolarHBondContact O-CD 3.31Å; L97-R147 VanDerWaalsContact O-CG 3.27Å; L97-R147 WeakPolarHBondContact O-CG 3.46Å
98	S	85.4	Confident	86.4	Confident	43 Å²	43	69.3 Å²	69.3	30%	0.301	36%	0.359	S	S	.	.	H	α-helix	trans	-70	-31	178.3	-173	0	0	0	0	113.4	L94 Q95 N96 G100 S129	L94-S98 WeakPolarHBondContact O-CB 3.11Å; L94-S98 PolarHBondContact O-N 3.16Å; Q95-S98 PolarHBondContact O-N 3.37Å; N96-S98 VanDerWaalsContact C-N 3.33Å; N96-S98 PolarHBondContact O-N 3.45Å; S98-G100 VanDerWaalsContact C-N 3.29Å; S98-S129 PolarHBondContact OG-OG 2.91Å
99	R	84.2	Confident	86.7	Confident	174 Å²	174	63.5 Å²	63.5	66%	0.657	33%	0.333	S	S	*	.	H	α-helix	trans	-74.2	-23	172.8	-71.7	176.5	-173.1	166.7	3.8	112.2	Q95 N96	Q95-R99 WeakPolarHBondContact O-CG 3.46Å; Q95-R99 PolarHBondContact O-N 3.49Å; N96-R99 PolarHBondContact O-N 3.23Å
100	G	81.7	Confident	86.7	Confident	37 Å²	37	59.3 Å²	59.3	38%	0.381	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	15.5	-175.8	0	0	0	0	0	114.2	N96 L97 S98 I102 R147	N96-G100 PolarHBondContact O-N 2.99Å; L97-G100 PolarHBondContact O-N 2.7Å; S98-G100 VanDerWaalsContact C-N 3.29Å; G100-I102 VanDerWaalsContact C-N 3.25Å; G100-I102 PolarHBondContact O-N 2.65Å; G100-R147 VanDerWaalsContact CA-NH1 3.25Å
101	D	83.6	Confident	86.5	Confident	103 Å²	103	63.8 Å²	63.8	55%	0.551	33%	0.334	S	S	*	.	S	Bend	trans	-74	-20.7	178.9	-55.9	-31.5	0	0	0	112	N96	N96-D101 HydrophobicContact CB-CB 4.11Å; N96-D101 PolarHBondContact O-N 2.92Å
102	I	87.4	Confident	86.4	Confident	61 Å²	61	66.1 Å²	66.1	31%	0.313	35%	0.347	S	S	.	.			trans	-137	154.1	173.6	58.3	173.4	0	0	0	109.7	N96 L97 G100 L105	N96-I102 HydrophobicContact CB-CD1 4.42Å; N96-I102 HydrophobicContact CB-CG1 4.3Å; L97-I102 HydrophobicContact CB-CD1 4.04Å; L97-I102 HydrophobicContact CB-CG1 3.81Å; L97-I102 HydrophobicContact CD1-CG1 4.1Å; L97-I102 VanDerWaalsContact CD1-O 3.23Å; L97-I102 WeakPolarHBondContact CD1-O 3.35Å; G100-I102 VanDerWaalsContact C-N 3.25Å; G100-I102 PolarHBondContact O-N 2.65Å; I102-L105 HydrophobicContact CD1-CB 4.35Å; I102-L105 HydrophobicContact CD1-CD1 4.35Å
103	E	84.3	Confident	86.2	Confident	146 Å²	146	69.7 Å²	69.7	68%	0.682	35%	0.353	S	S	*	.	S	Bend	trans	-88.1	-37	-177.5	-66.4	-174.4	158.8	0	0	113.3	L97	L97-E103 VanDerWaalsContact CD1-C 3.44Å; L97-E103 VanDerWaalsContact CD1-O 3.24Å; L97-E103 WeakPolarHBondContact CD1-O 3.29Å
104	V	88	Confident	85.6	Confident	52 Å²	52	71.4 Å²	71.4	32%	0.315	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.5	-175.4	178.8	0	0	0	0	110.2	K106 V144 V145	V104-K106 HydrophobicContact CG1-CG 4.48Å; V104-V144 HydrophobicContact CG1-CG1 3.45Å; V104-V144 VanDerWaalsContact CG1-CG1 3.45Å; V104-V145 WeakPolarHBondContact CA-O 3.41Å
105	L	90.6	Very high	85.1	Confident	29 Å²	29	74.6 Å²	74.6	15%	0.152	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	129.6	171.9	-179.7	71.2	0	0	0	109.9	L94 L97 I102 I107 V145	L94-L105 HydrophobicContact CD2-CD2 3.74Å; L94-L105 HydrophobicContact CG-CD2 3.83Å; L97-L105 HydrophobicContact CD2-CB 3.93Å; I102-L105 HydrophobicContact CD1-CB 4.35Å; I102-L105 HydrophobicContact CD1-CD1 4.35Å; L105-I107 HydrophobicContact CD2-CD1 4.09Å; L105-I107 HydrophobicContact CD2-CG1 4.2Å; L105-I107 HydrophobicContact CG-CG1 4.26Å; L105-V145 HydrophobicContact CB-CB 4.29Å; L105-V145 PolarHBondContact N-O 2.94Å; L105-V145 PolarHBondContact O-N 2.59Å
106	K	90.3	Very high	84.9	Confident	104 Å²	104	72.9 Å²	72.9	45%	0.452	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125	174.6	-59.8	-173	-177.7	-179.7	0	110.4	V104 E137 M142 V144	V104-K106 HydrophobicContact CG1-CG 4.48Å; K106-E137 WeakPolarHBondContact CE-OE1 3.48Å; K106-E137 VanDerWaalsContact NZ-CD 3.32Å; K106-E137 IonicContact NZ-OE1 3.67Å; K106-E137 PolarHBondContact NZ-OE1 3.37Å; K106-E137 IonicContact NZ-OE2 3.78Å; K106-E137 PolarHBondContact NZ-OE2 3.17Å; K106-M142 HydrophobicContact CB-CE 4.3Å; K106-V144 HydrophobicContact CG-CG2 4.32Å
107	I	89.6	Confident	84.4	Confident	2 Å²	2	72.5 Å²	72.5	1%	0.01	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.7	178.6	-62.9	168.9	0	0	0	108.2	H90 L105 A109 I123 M142 I143 V145	H90-I107 HydrophobicContact CB-CD1 3.9Å; H90-I107 HydrophobicContact CB-CG1 4.34Å; H90-I107 WeakPolarHBondContact NE2-CG2 3.25Å; L105-I107 HydrophobicContact CD2-CD1 4.09Å; L105-I107 HydrophobicContact CD2-CG1 4.2Å; L105-I107 HydrophobicContact CG-CG1 4.26Å; I107-A109 PolarHBondContact O-N 2.95Å; I107-I123 HydrophobicContact CD1-CD1 4.24Å; I107-M142 CarbonylContact O-C 3.6Å; I107-I143 HydrophobicContact CB-CB 4.22Å; I107-I143 PolarHBondContact N-O 3.05Å; I107-I143 PolarHBondContact O-N 3.41Å; I107-V145 HydrophobicContact CD1-CG2 4.09Å
108	K	87.6	Confident	84.1	Confident	125 Å²	125	75.5 Å²	75.5	54%	0.543	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	123.1	174	-175.1	166.5	179	152.2	0	110.3	E140 M142	K108-E140 VanDerWaalsContact CE-OE2 3.24Å; K108-E140 WeakPolarHBondContact CE-OE2 3.42Å; K108-E140 IonicContact NZ-OE1 3.11Å; K108-E140 PolarHBondContact NZ-OE1 3.42Å; K108-E140 IonicContact NZ-OE2 2.81Å; K108-E140 PolarHBondContact NZ-OE2 2.82Å; K108-M142 HydrophobicContact CB-SD 4.18Å; K108-M142 HydrophobicContact CG-SD 4.48Å
109	A	85.5	Confident	84	Confident	5 Å²	5	74.5 Å²	74.5	4%	0.041	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-80.2	135.4	-177.2	0	0	0	0	0	110.3	I107 R116 N141 I143	I107-A109 PolarHBondContact O-N 2.95Å; A109-R116 HydrophobicContact CB-CG 4.24Å; A109-N141 WeakPolarHBondContact CA-O 3.49Å; A109-N141 HydrophobicContact CB-CB 3.79Å; A109-N141 WeakPolarHBondContact CB-O 2.93Å; A109-N141 PolarHBondContact N-O 3.34Å; A109-I143 HydrophobicContact CB-CD1 4.26Å; A109-I143 HydrophobicContact CB-CG1 3.73Å
110	P	84.2	Confident	84	Confident	38 Å²	38	66.9 Å²	66.9	25%	0.247	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.9	169.2	-20.8	30.8	0	0	0	111.3	N112 D115 I119	P110-N112 PolarHBondContact O-N 3.25Å; P110-D115 HydrophobicContact CB-CB 3.89Å; P110-D115 HydrophobicContact CG-CB 4.09Å; P110-I119 HydrophobicContact CG-CD1 3.56Å
111	D	81.5	Confident	83.9	Confident	156 Å²	156	68.7 Å²	68.7	83%	0.834	35%	0.349	S	S	*	.	S	Bend	trans	-61.5	-36.4	176.2	-64	-38.9	0	0	0	111.5	K113	D111-K113 PolarHBondContact O-N 2.77Å
112	N	83.6	Confident	83.8	Confident	80 Å²	80	63.8 Å²	63.8	43%	0.428	32%	0.322	S	S	.	.	S	Bend	trans	-71.7	120.5	176	-176.3	0.7	0	0	0	111.2	P110 A114 D115 R116	P110-N112 PolarHBondContact O-N 3.25Å; N112-A114 PolarHBondContact O-N 3.19Å; N112-A114 WeakPolarHBondContact OD1-CB 3.38Å; N112-A114 PolarHBondContact OD1-N 2.7Å; N112-D115 HydrophobicContact CB-CB 4.27Å; N112-D115 VanDerWaalsContact CB-OD2 3.29Å; N112-D115 WeakPolarHBondContact CB-OD2 3.33Å; N112-D115 PolarHBondContact ND2-OD2 2.82Å; N112-D115 PolarHBondContact O-N 2.72Å; N112-R116 PolarHBondContact O-N 2.93Å
113	K	80.4	Confident	83.7	Confident	150 Å²	150	60.9 Å²	60.9	65%	0.652	31%	0.307	S	S	*	.	H	α-helix	trans	-57.1	-34.3	175.5	-174.3	178.3	178.4	-179.6	0	112.6	D111 T117	D111-K113 PolarHBondContact O-N 2.77Å; K113-T117 VanDerWaalsContact O-CB 3.29Å; K113-T117 WeakPolarHBondContact O-CB 3.3Å; K113-T117 PolarHBondContact O-N 3.33Å; K113-T117 PolarHBondContact O-OG1 2.73Å
114	A	75.6	Confident	83.5	Confident	50 Å²	50	60.5 Å²	60.5	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-65.6	-47.6	179	0	0	0	0	0	111.4	N112 T117 Q118	N112-A114 PolarHBondContact O-N 3.19Å; N112-A114 WeakPolarHBondContact OD1-CB 3.38Å; N112-A114 PolarHBondContact OD1-N 2.7Å; A114-T117 WeakPolarHBondContact O-CB 2.91Å; A114-T117 PolarHBondContact O-N 2.72Å; A114-Q118 WeakPolarHBondContact O-CG 3.19Å; A114-Q118 PolarHBondContact O-N 3.35Å
115	D	80.7	Confident	82.8	Confident	67 Å²	67	59.4 Å²	59.4	36%	0.358	30%	0.296	S	S	.	.	H	α-helix	trans	-67.7	-41.8	179.7	-59.5	-33.2	0	0	0	111.2	P110 N112 T117 Q118 I119	P110-D115 HydrophobicContact CB-CB 3.89Å; P110-D115 HydrophobicContact CG-CB 4.09Å; N112-D115 HydrophobicContact CB-CB 4.27Å; N112-D115 VanDerWaalsContact CB-OD2 3.29Å; N112-D115 WeakPolarHBondContact CB-OD2 3.33Å; N112-D115 PolarHBondContact ND2-OD2 2.82Å; N112-D115 PolarHBondContact O-N 2.72Å; D115-T117 VanDerWaalsContact C-N 3.29Å; D115-T117 PolarHBondContact O-N 3.01Å; D115-Q118 WeakPolarHBondContact O-CB 3.46Å; D115-Q118 PolarHBondContact O-N 3.08Å; D115-Q118 VanDerWaalsContact O-N 3.09Å; D115-I119 PolarHBondContact O-N 3.31Å; D115-I119 VanDerWaalsContact O-N 3.07Å
116	R	82.2	Confident	82.3	Confident	47 Å²	47	60.2 Å²	60.2	18%	0.177	30%	0.301	C	S	.	.	H	α-helix	trans	-57	-43.4	171.1	-175.7	169.2	76.8	-146.6	8.7	112.2	A109 N112 Q118 I119 H120 T134 I143	A109-R116 HydrophobicContact CB-CG 4.24Å; N112-R116 PolarHBondContact O-N 2.93Å; R116-Q118 VanDerWaalsContact C-N 3.28Å; R116-Q118 PolarHBondContact O-N 2.94Å; R116-I119 PolarHBondContact O-N 3.4Å; R116-H120 PolarHBondContact O-CD2 2.74Å; R116-H120 PolarHBondContact O-N 3.35Å; R116-H120 VanDerWaalsContact O-N 3.17Å; R116-T134 WeakPolarHBondContact CD-OG1 3.34Å; R116-T134 PolarHBondContact NE-OG1 2.94Å; R116-I143 HydrophobicContact CG-CD1 3.98Å; R116-I143 HydrophobicContact CG-CG1 4.16Å
117	T	78.3	Confident	82.1	Confident	54 Å²	54	56.4 Å²	56.4	33%	0.331	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-35.2	177.7	-59.3	0	0	0	0	111.5	K113 A114 D115 H120 Q121	K113-T117 VanDerWaalsContact O-CB 3.29Å; K113-T117 WeakPolarHBondContact O-CB 3.3Å; K113-T117 PolarHBondContact O-N 3.33Å; K113-T117 PolarHBondContact O-OG1 2.73Å; A114-T117 WeakPolarHBondContact O-CB 2.91Å; A114-T117 PolarHBondContact O-N 2.72Å; D115-T117 VanDerWaalsContact C-N 3.29Å; D115-T117 PolarHBondContact O-N 3.01Å; T117-H120 PolarHBondContact O-N 3.16Å; T117-Q121 VanDerWaalsContact O-CG 3.25Å; T117-Q121 WeakPolarHBondContact O-CG 3.45Å; T117-Q121 PolarHBondContact O-N 2.79Å
118	Q	80.7	Confident	81.6	Confident	63 Å²	63	60.4 Å²	60.4	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-68	-37.4	176.2	-68.8	168.3	7.1	0	0	112.1	K86 A114 D115 R116 Q121 A122	K86-Q118 HydrophobicContact CD-CB 4.38Å; K86-Q118 VanDerWaalsContact NZ-CD 3.3Å; A114-Q118 WeakPolarHBondContact O-CG 3.19Å; A114-Q118 PolarHBondContact O-N 3.35Å; D115-Q118 WeakPolarHBondContact O-CB 3.46Å; D115-Q118 PolarHBondContact O-N 3.08Å; D115-Q118 VanDerWaalsContact O-N 3.09Å; R116-Q118 VanDerWaalsContact C-N 3.28Å; R116-Q118 PolarHBondContact O-N 2.94Å; Q118-Q121 PolarHBondContact O-N 3.36Å; Q118-A122 WeakPolarHBondContact O-CB 3.41Å; Q118-A122 PolarHBondContact O-N 2.95Å
119	I	85.1	Confident	81.3	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.108	30%	0.302	C	S	.	.	H	α-helix	trans	-62.1	-47	173.4	-64.1	173.1	0	0	0	110.5	L87 P110 D115 R116 Q121 A122 I123 I143	L87-I119 HydrophobicContact CD2-CG2 3.94Å; P110-I119 HydrophobicContact CG-CD1 3.56Å; D115-I119 PolarHBondContact O-N 3.31Å; D115-I119 VanDerWaalsContact O-N 3.07Å; R116-I119 PolarHBondContact O-N 3.4Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.22Å; I119-A122 PolarHBondContact O-N 3.08Å; I119-I123 HydrophobicContact CG2-CD1 3.83Å; I119-I123 HydrophobicContact CG2-CG1 4.43Å; I119-I123 WeakPolarHBondContact O-CG1 3.1Å; I119-I123 PolarHBondContact O-N 2.8Å; I119-I143 HydrophobicContact CB-CD1 3.77Å; I119-I143 HydrophobicContact CD1-CD1 3.91Å; I119-I143 HydrophobicContact CG1-CD1 4.45Å; I119-I143 HydrophobicContact CG2-CD1 3.51Å
120	H	83.9	Confident	81.4	Confident	15 Å²	15	56.7 Å²	56.7	7%	0.069	30%	0.3	C	S	.	.	H	α-helix	trans	-59	-38.8	174.6	-74.5	-68.4	0	0	0	112.6	R116 T117 R124 S132 T134	R116-H120 PolarHBondContact O-CD2 2.74Å; R116-H120 PolarHBondContact O-N 3.35Å; R116-H120 VanDerWaalsContact O-N 3.17Å; T117-H120 PolarHBondContact O-N 3.16Å; H120-R124 WeakPolarHBondContact O-CB 3.44Å; H120-R124 WeakPolarHBondContact O-CD 3.38Å; H120-R124 WeakPolarHBondContact O-CG 3.4Å; H120-R124 PolarHBondContact O-N 2.89Å; H120-S132 VanDerWaalsContact ND1-CB 3.33Å; H120-S132 WeakPolarHBondContact ND1-CB 3.43Å; H120-S132 PolarHBondContact ND1-O 3.05Å; H120-S132 PolarHBondContact ND1-OG 3.32Å; H120-T134 PolarHBondContact NE2-OG1 2.74Å
121	Q	78.3	Confident	81.3	Confident	74 Å²	74	55.8 Å²	55.8	35%	0.346	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-41.6	176.4	-74.2	170	1	0	0	111.6	M83 T117 Q118 I119 R124 A125	M83-Q121 HydrophobicContact CE-CB 4.11Å; M83-Q121 WeakPolarHBondContact CE-O 3.37Å; M83-Q121 HydrophobicContact SD-CB 4.12Å; T117-Q121 VanDerWaalsContact O-CG 3.25Å; T117-Q121 WeakPolarHBondContact O-CG 3.45Å; T117-Q121 PolarHBondContact O-N 2.79Å; Q118-Q121 PolarHBondContact O-N 3.36Å; I119-Q121 VanDerWaalsContact C-N 3.27Å; I119-Q121 PolarHBondContact O-N 3.22Å; Q121-R124 PolarHBondContact O-N 3.3Å; Q121-A125 WeakPolarHBondContact O-CB 3.23Å; Q121-A125 PolarHBondContact O-N 3.46Å
122	A	81.7	Confident	81.6	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-45.7	178.9	0	0	0	0	0	112.2	M83 L87 Q118 I119 R124 A125 L126	M83-A122 HydrophobicContact CB-CB 3.64Å; M83-A122 HydrophobicContact CG-CB 4.17Å; M83-A122 WeakPolarHBondContact SD-CA 3.5Å; M83-A122 HydrophobicContact SD-CB 3.61Å; M83-A122 PolarHBondContact SD-N 3.09Å; L87-A122 HydrophobicContact CD1-CB 3.5Å; L87-A122 HydrophobicContact CD2-CB 4.34Å; L87-A122 HydrophobicContact CG-CB 3.75Å; Q118-A122 WeakPolarHBondContact O-CB 3.41Å; Q118-A122 PolarHBondContact O-N 2.95Å; I119-A122 PolarHBondContact O-N 3.08Å; A122-R124 VanDerWaalsContact C-N 3.3Å; A122-R124 PolarHBondContact O-N 3.05Å; A122-A125 PolarHBondContact O-N 2.95Å; A122-L126 PolarHBondContact O-N 3.31Å
123	I	86	Confident	81.7	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.3	-43.6	177.7	-66	165.8	0	0	0	109.8	L87 L94 I107 I119 A125 F127 L130 I143 V145	L87-I123 HydrophobicContact CD1-CG1 3.93Å; L87-I123 HydrophobicContact CD2-CD1 4.41Å; L87-I123 HydrophobicContact CD2-CG1 3.83Å; L94-I123 HydrophobicContact CD1-CG1 4.14Å; L94-I123 HydrophobicContact CD2-CD1 4.43Å; L94-I123 HydrophobicContact CD2-CG1 4.22Å; L94-I123 HydrophobicContact CD2-CG2 4.25Å; I107-I123 HydrophobicContact CD1-CD1 4.24Å; I119-I123 HydrophobicContact CG2-CD1 3.83Å; I119-I123 HydrophobicContact CG2-CG1 4.43Å; I119-I123 WeakPolarHBondContact O-CG1 3.1Å; I119-I123 PolarHBondContact O-N 2.8Å; I123-A125 VanDerWaalsContact C-N 3.33Å; I123-A125 PolarHBondContact O-N 2.83Å; I123-F127 CarbonylContact O-C 3.5Å; I123-F127 WeakPolarHBondContact O-CA 3.43Å; I123-F127 WeakPolarHBondContact O-CB 3.41Å; I123-F127 PolarHBondContact O-N 3.02Å; I123-L130 HydrophobicContact CG2-CB 4.22Å; I123-I143 HydrophobicContact CD1-CG2 4.36Å; I123-V145 HydrophobicContact CD1-CG2 3.75Å; I123-V145 HydrophobicContact CG2-CG1 3.95Å
124	R	79.9	Confident	82.1	Confident	138 Å²	138	42.7 Å²	42.7	52%	0.521	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-33.3	179.6	-73.6	173.3	-164.9	149.4	6.1	113.3	H120 Q121 A122	H120-R124 WeakPolarHBondContact O-CB 3.44Å; H120-R124 WeakPolarHBondContact O-CD 3.38Å; H120-R124 WeakPolarHBondContact O-CG 3.4Å; H120-R124 PolarHBondContact O-N 2.89Å; Q121-R124 PolarHBondContact O-N 3.3Å; A122-R124 VanDerWaalsContact C-N 3.3Å; A122-R124 PolarHBondContact O-N 3.05Å
125	A	73.8	Confident	82.4	Confident	30 Å²	30	42.2 Å²	42.2	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-75.4	-49.4	179.9	0	0	0	0	0	111.5	M83 Q121 A122 I123	M83-A125 HydrophobicContact CE-CB 3.59Å; Q121-A125 WeakPolarHBondContact O-CB 3.23Å; Q121-A125 PolarHBondContact O-N 3.46Å; A122-A125 PolarHBondContact O-N 2.95Å; I123-A125 VanDerWaalsContact C-N 3.33Å; I123-A125 PolarHBondContact O-N 2.83Å
126	L	79.8	Confident	82.5	Confident	46 Å²	46	45.7 Å²	45.7	24%	0.241	24%	0.241	C	C	.	.	H	α-helix	trans	-83.6	-28.2	-174.6	-61.7	179.9	0	0	0	113.9	D80 E84 L87 A122	D80-L126 HydrophobicContact CB-CD2 4.17Å; E84-L126 HydrophobicContact CB-CD1 3.8Å; E84-L126 HydrophobicContact CG-CD1 4.14Å; L87-L126 HydrophobicContact CD1-CD1 4.13Å; A122-L126 PolarHBondContact O-N 3.31Å
127	F	86	Confident	82.4	Confident	23 Å²	23	47.6 Å²	47.6	10%	0.101	25%	0.252	C	S	.	.			trans	-127.8	76.7	-177.3	-59	-87.7	0	0	0	111.7	L91 L94 Q95 I123 S129 L130	L91-F127 HydrophobicContact CD2-CE2 3.92Å; L91-F127 HydrophobicContact CD2-CZ 3.94Å; L94-F127 HydrophobicContact CB-CD1 4.41Å; L94-F127 HydrophobicContact CB-CD2 4.05Å; L94-F127 HydrophobicContact CB-CE1 4.08Å; L94-F127 HydrophobicContact CB-CE2 3.69Å; L94-F127 HydrophobicContact CB-CG 4.4Å; L94-F127 HydrophobicContact CB-CZ 3.7Å; L94-F127 HydrophobicContact CD1-CD2 4.11Å; L94-F127 HydrophobicContact CD1-CE2 3.8Å; L94-F127 HydrophobicContact CG-CE2 4.35Å; Q95-F127 HydrophobicContact CG-CE1 3.82Å; Q95-F127 HydrophobicContact CG-CZ 4.03Å; I123-F127 CarbonylContact O-C 3.5Å; I123-F127 WeakPolarHBondContact O-CA 3.43Å; I123-F127 WeakPolarHBondContact O-CB 3.41Å; I123-F127 PolarHBondContact O-N 3.02Å; F127-S129 PolarHBondContact O-N 3.28Å; F127-L130 HydrophobicContact CB-CB 4.1Å; F127-L130 HydrophobicContact CB-CD1 3.6Å; F127-L130 HydrophobicContact CB-CG 3.78Å; F127-L130 HydrophobicContact CD1-CD1 4.25Å; F127-L130 HydrophobicContact CG-CD1 3.96Å; F127-L130 PolarHBondContact O-N 2.94Å
128	P	79.2	Confident	82.5	Confident	87 Å²	87	48.1 Å²	48.1	57%	0.565	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.5	-176.9	-24.2	34.2	0	0	0	115.2	L130 K148	P128-L130 VanDerWaalsContact C-N 3.31Å; P128-K148 VanDerWaalsContact O-CE 3.23Å; P128-K148 WeakPolarHBondContact O-CE 3.29Å; P128-K148 PolarHBondContact O-NZ 3.31Å
129	S	81.1	Confident	82.6	Confident	51 Å²	51	53.1 Å²	53.1	36%	0.357	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-16.3	174.8	49.9	0	0	0	0	113.3	S98 F127 K148	S98-S129 PolarHBondContact OG-OG 2.91Å; F127-S129 PolarHBondContact O-N 3.28Å; S129-K148 WeakPolarHBondContact O-CG 3.43Å; S129-K148 PolarHBondContact O-N 3.19Å
130	L	86.7	Confident	82.5	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	159.9	-174.5	-56.6	-174.8	0	0	0	112.1	L94 L97 I123 F127 P128 V145 H146 R147 K148	L94-L130 HydrophobicContact CB-CD1 4.34Å; L94-L130 HydrophobicContact CD2-CD1 3.83Å; L97-L130 HydrophobicContact CB-CD1 4.47Å; L97-L130 HydrophobicContact CB-CD2 4.42Å; L97-L130 HydrophobicContact CD2-CD1 4Å; L97-L130 HydrophobicContact CD2-CD2 3.9Å; L97-L130 HydrophobicContact CG-CD1 4.31Å; L97-L130 HydrophobicContact CG-CD2 3.69Å; I123-L130 HydrophobicContact CG2-CB 4.22Å; F127-L130 HydrophobicContact CB-CB 4.1Å; F127-L130 HydrophobicContact CB-CD1 3.6Å; F127-L130 HydrophobicContact CB-CG 3.78Å; F127-L130 HydrophobicContact CD1-CD1 4.25Å; F127-L130 HydrophobicContact CG-CD1 3.96Å; F127-L130 PolarHBondContact O-N 2.94Å; P128-L130 VanDerWaalsContact C-N 3.31Å; L130-V145 HydrophobicContact CB-CG1 4.06Å; L130-V145 HydrophobicContact CD1-CG1 4.2Å; L130-H146 CarbonylContact C-O 3.53Å; L130-H146 WeakPolarHBondContact CA-O 2.97Å; L130-R147 HydrophobicContact CD2-CB 4.34Å; L130-R147 HydrophobicContact CD2-CG 3.78Å; L130-K148 WeakPolarHBondContact O-CE 2.93Å
131	E	83	Confident	82.6	Confident	19 Å²	19	58.1 Å²	58.1	9%	0.089	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	146.1	174.7	-178	164.9	-122.4	0	0	109.6	V145 H146 K148 S156	E131-V145 CarbonylContact O-C 3.56Å; E131-V145 VanDerWaalsContact O-CA 3.23Å; E131-V145 WeakPolarHBondContact O-CA 3.36Å; E131-V145 VanDerWaalsContact O-CG1 3.31Å; E131-V145 WeakPolarHBondContact O-CG1 3.29Å; E131-H146 PolarHBondContact N-O 2.82Å; E131-H146 PolarHBondContact O-N 2.81Å; E131-H146 IonicContact OE2-CD2 2.94Å; E131-H146 IonicContact OE2-NE2 2.71Å; E131-H146 PolarHBondContact OE2-NE2 3.45Å; E131-K148 HydrophobicContact CB-CG 4.11Å; E131-S156 WeakPolarHBondContact OE1-CB 3.44Å; E131-S156 PolarHBondContact OE1-OG 2.85Å
132	S	87.3	Confident	83.1	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.4	-177	51.5	0	0	0	0	112.1	H120 V144	H120-S132 VanDerWaalsContact ND1-CB 3.33Å; H120-S132 WeakPolarHBondContact ND1-CB 3.43Å; H120-S132 PolarHBondContact ND1-O 3.05Å; H120-S132 PolarHBondContact ND1-OG 3.32Å; S132-V144 CarbonylContact C-O 3.57Å; S132-V144 WeakPolarHBondContact CA-O 3.29Å
133	T	87	Confident	83.5	Confident	52 Å²	52	56.4 Å²	56.4	32%	0.319	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.5	178	54.7	0	0	0	0	109.9	I143 V144	T133-I143 CarbonylContact O-C 3.52Å; T133-I143 VanDerWaalsContact O-CA 3.29Å; T133-I143 WeakPolarHBondContact O-CA 3.38Å; T133-V144 PolarHBondContact N-O 2.86Å; T133-V144 PolarHBondContact O-N 3.29Å
134	T	86.9	Confident	83.7	Confident	56 Å²	56	57.4 Å²	57.4	34%	0.344	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.7	169.9	-48.5	0	0	0	0	108.2	R116 H120 N141 M142	R116-T134 WeakPolarHBondContact CD-OG1 3.34Å; R116-T134 PolarHBondContact NE-OG1 2.94Å; H120-T134 PolarHBondContact NE2-OG1 2.74Å; T134-N141 HydrophobicContact CG2-CB 4.3Å; T134-M142 CarbonylContact C-O 3.48Å; T134-M142 VanDerWaalsContact CA-O 3.3Å; T134-M142 WeakPolarHBondContact CA-O 3.45Å
135	S	83.9	Confident	84.2	Confident	39 Å²	39	50.8 Å²	50.8	27%	0.273	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	158.3	169.4	64.6	0	0	0	0	109.9	M142 V144	S135-M142 PolarHBondContact N-O 3.43Å; S135-M142 PolarHBondContact O-N 3.17Å; S135-V144 VanDerWaalsContact OG-CG2 3.25Å; S135-V144 WeakPolarHBondContact OG-CG2 3.31Å
136	Q	81.2	Confident	84.9	Confident	141 Å²	141	49.9 Å²	49.9	66%	0.659	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.4	118	173.3	-170.6	173.4	11.2	0	0	107.8
137	E	80.2	Confident	85.1	Confident	86 Å²	86	51.3 Å²	51.3	40%	0.402	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	105	175.3	-69.6	-168.9	171.5	0	0	108.4	K106 N139 E140 M142	K106-E137 WeakPolarHBondContact CE-OE1 3.48Å; K106-E137 VanDerWaalsContact NZ-CD 3.32Å; K106-E137 IonicContact NZ-OE1 3.67Å; K106-E137 PolarHBondContact NZ-OE1 3.37Å; K106-E137 IonicContact NZ-OE2 3.78Å; K106-E137 PolarHBondContact NZ-OE2 3.17Å; E137-N139 PolarHBondContact O-N 3.37Å; E137-E140 PolarHBondContact N-O 3.02Å; E137-E140 PolarHBondContact O-N 2.83Å; E137-M142 HydrophobicContact CB-CG 4.32Å
138	G	80.5	Confident	84.7	Confident	65 Å²	65	54.9 Å²	54.9	67%	0.67	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	-122.4	-171.9	0	0	0	0	0	111.7
139	N	82.3	Confident	84.5	Confident	169 Å²	169	56 Å²	56	90%	0.904	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.2	178.7	-78.9	-2.9	0	0	0	113.9	E137	E137-N139 PolarHBondContact O-N 3.37Å
140	E	84.1	Confident	84	Confident	91 Å²	91	55.2 Å²	55.2	43%	0.425	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	141.8	-176.4	-58	-161.2	162	0	0	111.8	K108 E137	K108-E140 VanDerWaalsContact CE-OE2 3.24Å; K108-E140 WeakPolarHBondContact CE-OE2 3.42Å; K108-E140 IonicContact NZ-OE1 3.11Å; K108-E140 PolarHBondContact NZ-OE1 3.42Å; K108-E140 IonicContact NZ-OE2 2.81Å; K108-E140 PolarHBondContact NZ-OE2 2.82Å; E137-E140 PolarHBondContact N-O 3.02Å; E137-E140 PolarHBondContact O-N 2.83Å
141	N	86.2	Confident	82.9	Confident	50 Å²	50	59.8 Å²	59.8	27%	0.267	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	131.1	170.5	-69.6	-44.3	0	0	0	108.9	A109 T134	A109-N141 WeakPolarHBondContact CA-O 3.49Å; A109-N141 HydrophobicContact CB-CB 3.79Å; A109-N141 WeakPolarHBondContact CB-O 2.93Å; A109-N141 PolarHBondContact N-O 3.34Å; T134-N141 HydrophobicContact CG2-CB 4.3Å
142	M	89.2	Confident	81.8	Confident	37 Å²	37	66.1 Å²	66.1	18%	0.182	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.1	177.6	-63.3	-63.8	-107.4	0	0	109.9	K106 I107 K108 T134 S135 E137	K106-M142 HydrophobicContact CB-CE 4.3Å; I107-M142 CarbonylContact O-C 3.6Å; K108-M142 HydrophobicContact CB-SD 4.18Å; K108-M142 HydrophobicContact CG-SD 4.48Å; T134-M142 CarbonylContact C-O 3.48Å; T134-M142 VanDerWaalsContact CA-O 3.3Å; T134-M142 WeakPolarHBondContact CA-O 3.45Å; S135-M142 PolarHBondContact N-O 3.43Å; S135-M142 PolarHBondContact O-N 3.17Å; E137-M142 HydrophobicContact CB-CG 4.32Å
143	I	89.4	Confident	80.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109.9	165.3	-61.7	171.2	0	0	0	106.9	I107 A109 R116 I119 I123 T133 V145	I107-I143 HydrophobicContact CB-CB 4.22Å; I107-I143 PolarHBondContact N-O 3.05Å; I107-I143 PolarHBondContact O-N 3.41Å; A109-I143 HydrophobicContact CB-CD1 4.26Å; A109-I143 HydrophobicContact CB-CG1 3.73Å; R116-I143 HydrophobicContact CG-CD1 3.98Å; R116-I143 HydrophobicContact CG-CG1 4.16Å; I119-I143 HydrophobicContact CB-CD1 3.77Å; I119-I143 HydrophobicContact CD1-CD1 3.91Å; I119-I143 HydrophobicContact CG1-CD1 4.45Å; I119-I143 HydrophobicContact CG2-CD1 3.51Å; I123-I143 HydrophobicContact CD1-CG2 4.36Å; T133-I143 CarbonylContact O-C 3.52Å; T133-I143 VanDerWaalsContact O-CA 3.29Å; T133-I143 WeakPolarHBondContact O-CA 3.38Å; I143-V145 HydrophobicContact CG2-CG2 4.04Å
144	V	89.4	Confident	78	Confident	21 Å²	21	73.2 Å²	73.2	13%	0.127	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	128	174.7	-175.4	0	0	0	0	108.1	V104 K106 S132 T133 S135	V104-V144 HydrophobicContact CG1-CG1 3.45Å; V104-V144 VanDerWaalsContact CG1-CG1 3.45Å; K106-V144 HydrophobicContact CG-CG2 4.32Å; S132-V144 CarbonylContact C-O 3.57Å; S132-V144 WeakPolarHBondContact CA-O 3.29Å; T133-V144 PolarHBondContact N-O 2.86Å; T133-V144 PolarHBondContact O-N 3.29Å; S135-V144 VanDerWaalsContact OG-CG2 3.25Å; S135-V144 WeakPolarHBondContact OG-CG2 3.31Å
145	V	90.7	Very high	76	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128	-179.2	-164.3	0	0	0	0	108.9	L94 L97 V104 L105 I107 I123 L130 E131 I143	L94-V145 HydrophobicContact CD2-CB 4.44Å; L94-V145 HydrophobicContact CD2-CG1 3.92Å; L94-V145 HydrophobicContact CD2-CG2 4.37Å; L97-V145 HydrophobicContact CD2-CB 3.88Å; L97-V145 HydrophobicContact CD2-CG1 3.69Å; L97-V145 VanDerWaalsContact CD2-O 3.27Å; L97-V145 WeakPolarHBondContact CD2-O 3.41Å; V104-V145 WeakPolarHBondContact CA-O 3.41Å; L105-V145 HydrophobicContact CB-CB 4.29Å; L105-V145 PolarHBondContact N-O 2.94Å; L105-V145 PolarHBondContact O-N 2.59Å; I107-V145 HydrophobicContact CD1-CG2 4.09Å; I123-V145 HydrophobicContact CD1-CG2 3.75Å; I123-V145 HydrophobicContact CG2-CG1 3.95Å; L130-V145 HydrophobicContact CB-CG1 4.06Å; L130-V145 HydrophobicContact CD1-CG1 4.2Å; E131-V145 CarbonylContact O-C 3.56Å; E131-V145 VanDerWaalsContact O-CA 3.23Å; E131-V145 WeakPolarHBondContact O-CA 3.36Å; E131-V145 VanDerWaalsContact O-CG1 3.31Å; E131-V145 WeakPolarHBondContact O-CG1 3.29Å; I143-V145 HydrophobicContact CG2-CG2 4.04Å
146	H	88.1	Confident	74.1	Confident	10 Å²	10	73.9 Å²	73.9	5%	0.046	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	160.2	179.4	51.7	-93	0	0	0	109.9	L130 E131 H150 A153	L130-H146 CarbonylContact C-O 3.53Å; L130-H146 WeakPolarHBondContact CA-O 2.97Å; E131-H146 PolarHBondContact N-O 2.82Å; E131-H146 PolarHBondContact O-N 2.81Å; E131-H146 IonicContact OE2-CD2 2.94Å; E131-H146 IonicContact OE2-NE2 2.71Å; E131-H146 PolarHBondContact OE2-NE2 3.45Å; H146-H150 HydrophobicContact CB-CB 4.13Å; H146-A153 VanDerWaalsContact CD2-CB 3.44Å; H146-A153 WeakPolarHBondContact CD2-CB 3.26Å; H146-A153 WeakPolarHBondContact NE2-CA 3.33Å; H146-A153 WeakPolarHBondContact NE2-CB 3.31Å
147	R	84.4	Confident	72	Confident	76 Å²	76	78.7 Å²	78.7	29%	0.287	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	147.5	169.8	-62.3	168	47.9	152.3	-5	110.1	L97 G100 L130 D149 H150	L97-R147 HydrophobicContact CD1-CG 4.25Å; L97-R147 HydrophobicContact CG-CG 4.37Å; L97-R147 VanDerWaalsContact O-CD 3.26Å; L97-R147 WeakPolarHBondContact O-CD 3.31Å; L97-R147 VanDerWaalsContact O-CG 3.27Å; L97-R147 WeakPolarHBondContact O-CG 3.46Å; G100-R147 VanDerWaalsContact CA-NH1 3.25Å; L130-R147 HydrophobicContact CD2-CB 4.34Å; L130-R147 HydrophobicContact CD2-CG 3.78Å; R147-D149 WeakPolarHBondContact CB-OD1 3.34Å; R147-D149 IonicContact CZ-OD1 2.71Å; R147-D149 IonicContact CZ-OD2 2.87Å; R147-D149 IonicContact NE-OD1 2.64Å; R147-D149 PolarHBondContact NE-OD1 3.33Å; R147-D149 IonicContact NE-OD2 3.18Å; R147-D149 IonicContact NH2-OD1 3.68Å; R147-D149 IonicContact NH2-OD2 3.46Å; R147-D149 PolarHBondContact NH2-OD2 2.77Å; R147-D149 PolarHBondContact O-N 2.82Å; R147-D149 VanDerWaalsContact O-N 3.14Å; R147-H150 WeakPolarHBondContact O-CB 3.37Å; R147-H150 PolarHBondContact O-N 2.86Å
148	K	77.4	Confident	70	Confident	99 Å²	99	79.6 Å²	79.6	43%	0.43	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.4	-178.8	-76.9	177.6	176.7	172	0	114.6	P128 S129 L130 E131 H150	P128-K148 VanDerWaalsContact O-CE 3.23Å; P128-K148 WeakPolarHBondContact O-CE 3.29Å; P128-K148 PolarHBondContact O-NZ 3.31Å; S129-K148 WeakPolarHBondContact O-CG 3.43Å; S129-K148 PolarHBondContact O-N 3.19Å; L130-K148 WeakPolarHBondContact O-CE 2.93Å; E131-K148 HydrophobicContact CB-CG 4.11Å; K148-H150 VanDerWaalsContact C-N 3.33Å
149	D	74.6	Confident	68.1	Low	110 Å²	110	81.9 Å²	81.9	59%	0.588	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-5	174.9	58	-29	0	0	0	113.5	R147	R147-D149 WeakPolarHBondContact CB-OD1 3.34Å; R147-D149 IonicContact CZ-OD1 2.71Å; R147-D149 IonicContact CZ-OD2 2.87Å; R147-D149 IonicContact NE-OD1 2.64Å; R147-D149 PolarHBondContact NE-OD1 3.33Å; R147-D149 IonicContact NE-OD2 3.18Å; R147-D149 IonicContact NH2-OD1 3.68Å; R147-D149 IonicContact NH2-OD2 3.46Å; R147-D149 PolarHBondContact NH2-OD2 2.77Å; R147-D149 PolarHBondContact O-N 2.82Å; R147-D149 VanDerWaalsContact O-N 3.14Å
150	H	72	Confident	66.1	Low	34 Å²	34	83.1 Å²	83.1	16%	0.157	42%	0.415	C	S	.	.	S	Bend	trans	-66.2	136.9	177.5	-168	-96.9	0	0	0	111.3	H146 R147 K148 E152 A153	H146-H150 HydrophobicContact CB-CB 4.13Å; R147-H150 WeakPolarHBondContact O-CB 3.37Å; R147-H150 PolarHBondContact O-N 2.86Å; K148-H150 VanDerWaalsContact C-N 3.33Å; H150-E152 IonicContact CE1-OE2 3.51Å; H150-E152 PolarHBondContact ND1-N 3.05Å; H150-E152 PolarHBondContact O-N 3.01Å; H150-E152 VanDerWaalsContact O-N 3.14Å; H150-A153 WeakPolarHBondContact O-CB 3.19Å; H150-A153 PolarHBondContact O-N 2.94Å
151	P	63.3	Low	64.2	Low	98 Å²	98	85 Å²	85	64%	0.636	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-58.5	-30.1	-175.9	18.3	-30.6	0	0	0	114.3	A153	P151-A153 VanDerWaalsContact C-N 3.3Å; P151-A153 PolarHBondContact O-N 2.73Å
152	E	58.7	Low	62.3	Low	151 Å²	151	85.3 Å²	85.3	71%	0.706	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-79.2	-6.9	176.2	-60	-171.6	153.9	0	0	114.1	H150 K154	H150-E152 IonicContact CE1-OE2 3.51Å; H150-E152 PolarHBondContact ND1-N 3.05Å; H150-E152 PolarHBondContact O-N 3.01Å; H150-E152 VanDerWaalsContact O-N 3.14Å; E152-K154 PolarHBondContact O-N 3.17Å; E152-K154 VanDerWaalsContact O-N 3.07Å
153	A	52.1	Low	60.6	Low	12 Å²	12	86.4 Å²	86.4	10%	0.099	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-65.5	-10.9	176.5	0	0	0	0	0	113.6	H146 H150 P151 G155 S156	H146-A153 VanDerWaalsContact CD2-CB 3.44Å; H146-A153 WeakPolarHBondContact CD2-CB 3.26Å; H146-A153 WeakPolarHBondContact NE2-CA 3.33Å; H146-A153 WeakPolarHBondContact NE2-CB 3.31Å; H150-A153 WeakPolarHBondContact O-CB 3.19Å; H150-A153 PolarHBondContact O-N 2.94Å; P151-A153 VanDerWaalsContact C-N 3.3Å; P151-A153 PolarHBondContact O-N 2.73Å; A153-G155 PolarHBondContact O-N 3.42Å; A153-S156 PolarHBondContact O-N 3.07Å
154	K	44	Very low	58.9	Low	193 Å²	193	88.8 Å²	88.8	84%	0.839	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-62	-7.6	-176.5	-73.5	-177.5	177.5	175.8	0	115.3	E152	E152-K154 PolarHBondContact O-N 3.17Å; E152-K154 VanDerWaalsContact O-N 3.07Å
155	G	44.8	Very low	57.7	Low	70 Å²	70	88.4 Å²	88.4	72%	0.722	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-90.1	-24.8	-178.2	0	0	0	0	0	115.8	A153 R157	A153-G155 PolarHBondContact O-N 3.42Å; G155-R157 PolarHBondContact O-N 3.34Å
156	S	44	Very low	56.5	Low	39 Å²	39	89.4 Å²	89.4	27%	0.273	46%	0.463	S	S	.	.			trans	-86.5	87.3	177.6	168.4	0	0	0	0	108	E131 A153 Q158	E131-S156 WeakPolarHBondContact OE1-CB 3.44Å; E131-S156 PolarHBondContact OE1-OG 2.85Å; A153-S156 PolarHBondContact O-N 3.07Å; S156-Q158 PolarHBondContact O-N 2.77Å
157	R	36.5	Very low	55.3	Low	241 Å²	241	96.2 Å²	96.2	91%	0.909	49%	0.492	S	S	*	.			trans	-50.3	102.5	157.1	-91.6	177.7	165	172.2	-3.9	105.6	G155 S159	G155-R157 PolarHBondContact O-N 3.34Å; R157-S159 VanDerWaalsContact C-N 3.34Å; R157-S159 PolarHBondContact O-N 3.02Å
158	Q	39	Very low	54.5	Low	106 Å²	106	94.7 Å²	94.7	50%	0.495	49%	0.493	S	S	.	.			trans	-43.6	112.8	158.5	-75	-179.5	-8.9	0	0	104.6	S156 R160	S156-Q158 PolarHBondContact O-N 2.77Å; Q158-R160 HydrophobicContact CB-CG 3.9Å; Q158-R160 PolarHBondContact O-N 3.49Å
159	S	40.1	Very low	54.6	Low	113 Å²	113	90.6 Å²	90.6	79%	0.79	48%	0.478	S	S	*	.			trans	-61.9	82.7	140.5	-178	0	0	0	0	102.6	R157 R161	R157-S159 VanDerWaalsContact C-N 3.34Å; R157-S159 PolarHBondContact O-N 3.02Å; S159-R161 PolarHBondContact O-N 3.19Å
160	R	39.5	Very low	55	Low	195 Å²	195	87 Å²	87	74%	0.736	46%	0.461	S	S	*	.			trans	-53.7	95.4	153.2	-80	-178.7	165.5	173.2	-8.2	100.9	Q158 A162	Q158-R160 HydrophobicContact CB-CG 3.9Å; Q158-R160 PolarHBondContact O-N 3.49Å; R160-A162 PolarHBondContact O-N 2.93Å
161	R	45	Very low	56	Low	131 Å²	131	87 Å²	87	49%	0.494	46%	0.459	S	S	.	.			trans	-49.8	99.2	136.5	-81.5	-176.2	165.6	-158.7	-7.2	102	S159 N163 G164 M165 K167	S159-R161 PolarHBondContact O-N 3.19Å; R161-N163 PolarHBondContact O-N 3.38Å; R161-G164 PolarHBondContact O-N 3.14Å; R161-M165 PolarHBondContact NH1-O 3.41Å; R161-K167 VanDerWaalsContact NH1-CG 3.34Å
162	A	45.4	Very low	57.5	Low	55 Å²	55	82.3 Å²	82.3	46%	0.455	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	119.2	-176.5	0	0	0	0	0	104.5	R160	R160-A162 PolarHBondContact O-N 2.93Å
163	N	53.5	Low	59.4	Low	60 Å²	60	76.2 Å²	76.2	32%	0.321	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	33.3	171.1	-46.7	-25.7	0	0	0	118.3	R161 M165 N223 T226	R161-N163 PolarHBondContact O-N 3.38Å; N163-M165 VanDerWaalsContact C-N 3.32Å; N163-M165 PolarHBondContact O-N 2.9Å; N163-M165 VanDerWaalsContact O-N 3.08Å; N163-N223 HydrophobicContact CB-CB 3.86Å; N163-N223 WeakPolarHBondContact O-CB 3.37Å; N163-N223 PolarHBondContact O-ND2 2.9Å; N163-T226 PolarHBondContact ND2-OG1 3.14Å
164	G	54.7	Low	61.6	Low	51 Å²	51	75.6 Å²	75.6	53%	0.526	40%	0.396	S	S	.	.			trans	71.9	11.9	154.5	0	0	0	0	0	117.6	R161	R161-G164 PolarHBondContact O-N 3.14Å
165	M	63.6	Low	64.2	Low	12 Å²	12	66.6 Å²	66.6	6%	0.059	36%	0.357	C	S	.	.			trans	-76.5	138.5	-177.2	-67.8	-142.4	-64.9	0	0	114.8	R161 N163 P170 I222 N223 Y244	R161-M165 PolarHBondContact NH1-O 3.41Å; N163-M165 VanDerWaalsContact C-N 3.32Å; N163-M165 PolarHBondContact O-N 2.9Å; N163-M165 VanDerWaalsContact O-N 3.08Å; M165-P170 WeakPolarHBondContact CE-O 3.31Å; M165-I222 VanDerWaalsContact CE-N 3.32Å; M165-N223 HydrophobicContact CG-CB 4.35Å; M165-Y244 HydrophobicContact CG-CE1 4.39Å; M165-Y244 HydrophobicContact SD-CD1 3.73Å; M165-Y244 HydrophobicContact SD-CE1 3.49Å; M165-Y244 WeakPolarHBondContact SD-CE1 3.34Å
166	S	65.1	Low	66.7	Low	21 Å²	21	63.3 Å²	63.3	15%	0.147	32%	0.323	C	S	.	.			trans	-64	160	176.2	176.9	0	0	0	0	112.6	S168	S166-S168 VanDerWaalsContact C-N 3.32Å; S166-S168 PolarHBondContact OG-N 2.82Å; S166-S168 VanDerWaalsContact OG-N 3.16Å; S166-S168 PolarHBondContact OG-OG 2.73Å
167	K	64.2	Low	69.3	Low	153 Å²	153	61.5 Å²	61.5	67%	0.665	31%	0.31	S	S	*	.	S	Bend	trans	-67	-31.9	168.2	-80.2	-175.8	179.5	178.6	0	112.4	R161	R161-K167 VanDerWaalsContact NH1-CG 3.34Å
168	S	67.1	Low	72.2	Confident	45 Å²	45	50 Å²	50	32%	0.315	27%	0.267	S	S	.	.	S	Bend	trans	-80.5	-26.2	-175.7	54	0	0	0	0	113.8	E77 S166 S246	E77-S168 WeakPolarHBondContact OE1-CB 3.04Å; E77-S168 PolarHBondContact OE1-OG 2.89Å; S166-S168 VanDerWaalsContact C-N 3.32Å; S166-S168 PolarHBondContact OG-N 2.82Å; S166-S168 VanDerWaalsContact OG-N 3.16Å; S166-S168 PolarHBondContact OG-OG 2.73Å; S168-S246 WeakPolarHBondContact O-CA 3.47Å; S168-S246 VanDerWaalsContact O-CB 3.31Å; S168-S246 WeakPolarHBondContact O-CB 3.34Å
169	A	78.6	Confident	74.9	Confident	13 Å²	13	47.9 Å²	47.9	11%	0.107	26%	0.256	C	S	.	.			trans	-129.9	75.5	174.2	0	0	0	0	0	111.1	P74 Y171 V245	P74-A169 HydrophobicContact CG-CB 4.14Å; A169-Y171 PolarHBondContact O-N 3.12Å; A169-V245 CarbonylContact C-O 3.57Å; A169-V245 WeakPolarHBondContact CA-O 3.49Å
170	P	83.9	Confident	77.2	Confident	34 Å²	34	43.7 Å²	43.7	22%	0.221	23%	0.232	C	C	.	.			trans	-82.9	5.8	-175.7	31.6	-29	0	0	0	113.7	M165 G221	M165-P170 WeakPolarHBondContact CE-O 3.31Å; P170-G221 PolarHBondContact O-N 2.84Å
171	Y	93	Very high	79.8	Confident	33 Å²	33	36.8 Å²	36.8	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	133.4	-179.3	-59.8	-89.6	0	0	0	111.2	A169 A219 K220 Y244 V245 P248	A169-Y171 PolarHBondContact O-N 3.12Å; Y171-A219 WeakPolarHBondContact CA-O 3.34Å; Y171-K220 HydrophobicContact CD1-CB 3.77Å; Y171-K220 HydrophobicContact CD1-CG 4.1Å; Y171-K220 HydrophobicContact CE1-CB 3.55Å; Y171-K220 HydrophobicContact CE1-CD 3.91Å; Y171-K220 HydrophobicContact CE1-CG 3.64Å; Y171-Y244 WeakPolarHBondContact O-CA 3.26Å; Y171-V245 PolarHBondContact N-O 3.35Å; Y171-V245 PolarHBondContact O-N 3.09Å; Y171-P248 HydrophobicContact CD1-CB 4.07Å; Y171-P248 HydrophobicContact CE1-CB 3.65Å; Y171-P248 HydrophobicContact CE1-CG 4.16Å
172	C	95.4	Very high	82.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	116.8	165.4	-173.4	0	0	0	0	108.7	T218 A219 I222 L227 S243 Y244	C172-T218 CarbonylContact O-C 3.5Å; C172-T218 VanDerWaalsContact O-CA 3.31Å; C172-T218 WeakPolarHBondContact O-CA 3.29Å; C172-A219 PolarHBondContact N-O 2.6Å; C172-A219 PolarHBondContact O-N 3.29Å; C172-I222 WeakPolarHBondContact CB-O 3.04Å; C172-L227 HydrophobicContact CB-CD1 4.01Å; C172-S243 CarbonylContact C-O 3.52Å; C172-Y244 HydrophobicContact CB-CD1 4.08Å; C172-Y244 HydrophobicContact CB-CE1 3.82Å
173	H	96.9	Very high	84.4	Confident	23 Å²	23	28.5 Å²	28.5	11%	0.106	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.3	172.6	174.1	-91.8	0	0	0	110	F216 V217 T218 F242 S243 V245	H173-F216 AromaticContact CE1-CD1 3.4Å; H173-F216 WeakPolarHBondContact CE1-CD1 2.96Å; H173-F216 AromaticContact CE1-CE1 3.94Å; H173-F216 AromaticContact NE2-CD1 3.37Å; H173-F216 WeakPolarHBondContact NE2-CD1 3.18Å; H173-F216 AromaticContact NE2-CG 3.7Å; H173-V217 CarbonylContact C-O 3.58Å; H173-V217 WeakPolarHBondContact CA-O 3.12Å; H173-T218 HydrophobicContact CB-CG2 3.97Å; H173-F242 CarbonylContact O-C 3.55Å; H173-F242 WeakPolarHBondContact O-CA 3.41Å; H173-S243 WeakPolarHBondContact CB-OG 3.4Å; H173-S243 PolarHBondContact N-O 2.9Å; H173-S243 PolarHBondContact ND1-OG 2.9Å; H173-S243 PolarHBondContact O-N 2.93Å; H173-S243 VanDerWaalsContact O-O 3.12Å; H173-S243 PolarHBondContact O-OG 2.85Å; H173-V245 HydrophobicContact CB-CG1 3.94Å; H173-V245 HydrophobicContact CB-CG2 3.91Å
174	F	98.3	Very high	86.2	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164	-178	60.6	-85.9	0	0	0	111.6	L176 F201 V217 A219 L227 L239 G240 F242	F174-L176 HydrophobicContact CE2-CB 4.23Å; F174-F201 HydrophobicContact CZ-CD1 4.2Å; F174-F201 HydrophobicContact CZ-CE1 4.31Å; F174-V217 HydrophobicContact CD1-CB 4.49Å; F174-V217 HydrophobicContact CD2-CB 4.16Å; F174-V217 HydrophobicContact CE1-CB 3.99Å; F174-V217 HydrophobicContact CE1-CG1 3.84Å; F174-V217 HydrophobicContact CE2-CB 3.61Å; F174-V217 HydrophobicContact CE2-CG1 3.91Å; F174-V217 HydrophobicContact CE2-CG2 4.19Å; F174-V217 HydrophobicContact CZ-CB 3.53Å; F174-V217 HydrophobicContact CZ-CG1 3.34Å; F174-V217 HydrophobicContact CZ-CG2 4.46Å; F174-V217 PolarHBondContact N-O 3.2Å; F174-V217 PolarHBondContact O-N 3.13Å; F174-A219 HydrophobicContact CE1-CB 3.88Å; F174-L227 HydrophobicContact CD1-CD1 3.79Å; F174-L227 HydrophobicContact CE1-CD1 3.93Å; F174-L227 HydrophobicContact CE1-CD2 4.43Å; F174-L227 HydrophobicContact CG-CD1 4.5Å; F174-L239 HydrophobicContact CD2-CB 4.24Å; F174-L239 HydrophobicContact CD2-CD2 4.12Å; F174-L239 HydrophobicContact CE2-CD1 4.45Å; F174-L239 HydrophobicContact CE2-CD2 3.74Å; F174-L239 HydrophobicContact CE2-CG 4.48Å; F174-G240 WeakPolarHBondContact CA-O 3.37Å; F174-G240 WeakPolarHBondContact CB-O 3.44Å; F174-F242 HydrophobicContact CB-CD1 3.59Å; F174-F242 HydrophobicContact CB-CE1 3.77Å; F174-F242 HydrophobicContact CG-CD1 4.44Å; F174-F242 HydrophobicContact CG-CE1 4.3Å
175	V	98.6	Very high	88	Confident	4 Å²	4	26.2 Å²	26.2	2%	0.024	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.9	168.7	174.8	0	0	0	0	109.1	A63 L65 T214 Q215 F216 L239 G240 N241	A63-V175 HydrophobicContact CB-CG1 4.29Å; A63-V175 HydrophobicContact CB-CG2 4.17Å; L65-V175 HydrophobicContact CB-CG1 4.2Å; L65-V175 HydrophobicContact CD1-CB 4.45Å; L65-V175 HydrophobicContact CD1-CG1 4.39Å; V175-T214 HydrophobicContact CG1-CG2 4.37Å; V175-Q215 WeakPolarHBondContact CA-O 3.46Å; V175-F216 HydrophobicContact CG2-CD1 4.13Å; V175-F216 HydrophobicContact CG2-CE1 4.11Å; V175-L239 WeakPolarHBondContact O-CA 3.41Å; V175-G240 PolarHBondContact N-O 3.29Å; V175-G240 PolarHBondContact O-N 3.2Å; V175-G240 VanDerWaalsContact O-N 3.12Å; V175-N241 HydrophobicContact CB-CB 4.14Å; V175-N241 HydrophobicContact CG2-CB 3.77Å
176	L	98.6	Very high	89.5	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	112.5	169.5	172.9	63.3	0	0	0	109	F174 A186 I187 L190 T214 Q215 V217 L237 L239	F174-L176 HydrophobicContact CE2-CB 4.23Å; L176-A186 HydrophobicContact CD2-CB 4.22Å; L176-I187 HydrophobicContact CD2-CD1 4.41Å; L176-L190 HydrophobicContact CD1-CD1 4.46Å; L176-T214 VanDerWaalsContact O-CA 3.29Å; L176-T214 WeakPolarHBondContact O-CA 3.26Å; L176-Q215 HydrophobicContact CB-CG 4.15Å; L176-Q215 HydrophobicContact CD2-CG 4.38Å; L176-Q215 PolarHBondContact N-O 3.13Å; L176-Q215 PolarHBondContact O-N 3.12Å; L176-V217 HydrophobicContact CB-CG2 3.56Å; L176-V217 HydrophobicContact CD2-CG2 3.98Å; L176-V217 HydrophobicContact CG-CG2 4.42Å; L176-L237 HydrophobicContact CD1-CD2 4.36Å; L176-L239 HydrophobicContact CD1-CD2 3.44Å; L176-L239 VanDerWaalsContact CD1-CD2 3.44Å
177	Y	98.6	Very high	91	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.5	162.3	172.7	-80.1	0	0	0	109.4	L65 E179 I212 T213 T214 L237 R238 S552 L554	L65-Y177 HydrophobicContact CD2-CD2 4.41Å; L65-Y177 HydrophobicContact CD2-CG 4.16Å; Y177-E179 HydrophobicContact CE1-CB 4.14Å; Y177-E179 HydrophobicContact CE1-CG 4.4Å; Y177-E179 WeakPolarHBondContact CE1-OE2 3.4Å; Y177-E179 PolarHBondContact OH-OE2 2.99Å; Y177-I212 HydrophobicContact CD2-CG2 4.24Å; Y177-I212 HydrophobicContact CE2-CG2 3.39Å; Y177-T213 CarbonylContact C-O 3.56Å; Y177-T213 WeakPolarHBondContact CA-O 3.32Å; Y177-T214 HydrophobicContact CD2-CG2 3.78Å; Y177-T214 HydrophobicContact CG-CG2 4.37Å; Y177-L237 CarbonylContact O-C 3.54Å; Y177-L237 VanDerWaalsContact O-CA 3.26Å; Y177-L237 WeakPolarHBondContact O-CA 3.5Å; Y177-R238 HydrophobicContact CD1-CB 4.35Å; Y177-R238 HydrophobicContact CD1-CG 4.49Å; Y177-R238 PolarHBondContact N-O 2.81Å; Y177-R238 PolarHBondContact O-N 2.8Å; Y177-S552 PolarHBondContact OH-OG 3.12Å; Y177-L554 HydrophobicContact CD1-CD2 4.4Å; Y177-L554 HydrophobicContact CD2-CB 4.24Å; Y177-L554 HydrophobicContact CE1-CB 4.22Å; Y177-L554 HydrophobicContact CE1-CD2 3.92Å; Y177-L554 HydrophobicContact CE2-CB 3.79Å
178	K	97.5	Very high	92.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	148.9	172.8	66.4	172.2	-169.8	57.4	0	112.8	K181 T183 A186 K207 D208 T213 G236 L237	K178-K181 VanDerWaalsContact CD-O 3.31Å; K178-K181 WeakPolarHBondContact CD-O 3.49Å; K178-K181 WeakPolarHBondContact CE-O 3.34Å; K178-K181 PolarHBondContact NZ-O 2.79Å; K178-T183 WeakPolarHBondContact CE-OG1 3.49Å; K178-A186 HydrophobicContact CD-CB 4.27Å; K178-K207 WeakPolarHBondContact CE-O 3.44Å; K178-K207 PolarHBondContact NZ-O 2.82Å; K178-D208 PolarHBondContact NZ-O 3.31Å; K178-T213 WeakPolarHBondContact CE-OG1 3.42Å; K178-T213 WeakPolarHBondContact CG-OG1 3.49Å; K178-T213 PolarHBondContact N-O 3.26Å; K178-T213 PolarHBondContact NZ-OG1 3.06Å; K178-T213 PolarHBondContact O-N 2.98Å; K178-G236 WeakPolarHBondContact CA-O 3.2Å; K178-L237 HydrophobicContact CB-CD2 3.3Å
179	E	95.1	Very high	93.8	Very high	60 Å²	60	19.7 Å²	19.7	28%	0.28	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	137.3	177.2	81.6	-166.6	177.2	0	0	109.9	W49 Y177 K181 I212 G236	W49-E179 HydrophobicContact CH2-CB 3.65Å; W49-E179 HydrophobicContact CH2-CG 3.95Å; W49-E179 HydrophobicContact CZ3-CB 3.66Å; W49-E179 HydrophobicContact CZ3-CG 4.46Å; Y177-E179 HydrophobicContact CE1-CB 4.14Å; Y177-E179 HydrophobicContact CE1-CG 4.4Å; Y177-E179 WeakPolarHBondContact CE1-OE2 3.4Å; Y177-E179 PolarHBondContact OH-OE2 2.99Å; E179-K181 PolarHBondContact O-N 2.84Å; E179-K181 VanDerWaalsContact O-N 3.09Å; E179-I212 HydrophobicContact CB-CG1 4.22Å; E179-G236 PolarHBondContact N-O 2.9Å; E179-G236 VanDerWaalsContact OE1-CA 3.29Å; E179-G236 WeakPolarHBondContact OE1-CA 3.38Å
180	G	89.6	Confident	94.7	Very high	26 Å²	26	19 Å²	19	27%	0.268	10%	0.104	S	C	.	.	S	Bend	trans	61.9	17	179.1	0	0	0	0	0	115.5	R209	G180-R209 WeakPolarHBondContact CA-O 3.49Å; G180-R209 WeakPolarHBondContact O-CG 3.48Å; G180-R209 PolarHBondContact O-NE 3.07Å
181	K	93.3	Very high	95.2	Very high	50 Å²	50	17.7 Å²	17.7	22%	0.217	10%	0.095	C	C	.	.	S	Bend	trans	-138.2	144.5	178.2	-62.2	-177.8	-165.4	64.6	0	110.6	K178 E179 H235 L237	K178-K181 VanDerWaalsContact CD-O 3.31Å; K178-K181 WeakPolarHBondContact CD-O 3.49Å; K178-K181 WeakPolarHBondContact CE-O 3.34Å; K178-K181 PolarHBondContact NZ-O 2.79Å; E179-K181 PolarHBondContact O-N 2.84Å; E179-K181 VanDerWaalsContact O-N 3.09Å; K181-H235 PolarHBondContact NZ-O 3.38Å; K181-L237 HydrophobicContact CD-CD1 4.32Å; K181-L237 HydrophobicContact CD-CD2 4.15Å; K181-L237 HydrophobicContact CD-CG 4.24Å
182	D	92.5	Very high	95.3	Very high	11 Å²	11	24.5 Å²	24.5	6%	0.059	12%	0.121	C	C	.	.			trans	-74.7	170.9	165.2	65	81.8	0	0	0	110.7	L184 S185 A186 K207 R209	D182-L184 WeakPolarHBondContact OD1-CA 3.36Å; D182-L184 PolarHBondContact OD1-N 3.45Å; D182-S185 WeakPolarHBondContact OD1-CB 3.35Å; D182-S185 PolarHBondContact OD1-N 3.35Å; D182-S185 PolarHBondContact OD1-OG 3.43Å; D182-S185 VanDerWaalsContact OD2-CB 3.22Å; D182-S185 WeakPolarHBondContact OD2-CB 3.27Å; D182-S185 PolarHBondContact OD2-OG 3.36Å; D182-A186 WeakPolarHBondContact O-CB 3.49Å; D182-A186 PolarHBondContact O-N 2.81Å; D182-A186 VanDerWaalsContact O-N 3.11Å; D182-K207 WeakPolarHBondContact CA-O 3.36Å; D182-R209 HydrophobicContact CB-CB 4.41Å
183	T	93.9	Very high	95.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-41.9	-176.9	-59.5	0	0	0	0	112.4	K178 A186 I187 F203 K207 Q215	K178-T183 WeakPolarHBondContact CE-OG1 3.49Å; T183-A186 WeakPolarHBondContact O-CB 3.32Å; T183-A186 PolarHBondContact O-N 3.02Å; T183-I187 HydrophobicContact CG2-CG1 4.39Å; T183-I187 WeakPolarHBondContact O-CG1 3.25Å; T183-I187 PolarHBondContact O-N 2.97Å; T183-F203 HydrophobicContact CG2-CD1 4.24Å; T183-F203 HydrophobicContact CG2-CD2 3.99Å; T183-F203 HydrophobicContact CG2-CE1 4.15Å; T183-F203 HydrophobicContact CG2-CE2 3.88Å; T183-F203 HydrophobicContact CG2-CG 4.17Å; T183-F203 HydrophobicContact CG2-CZ 3.97Å; T183-K207 PolarHBondContact N-O 2.59Å; T183-K207 VanDerWaalsContact N-O 3.13Å; T183-K207 PolarHBondContact OG1-N 3.43Å; T183-K207 PolarHBondContact OG1-O 3.23Å; T183-Q215 PolarHBondContact OG1-NE2 3.22Å; T183-Q215 VanDerWaalsContact OG1-NE2 3.17Å; T183-Q215 PolarHBondContact OG1-OE1 3.48Å
184	L	91.4	Very high	95	Very high	32 Å²	32	27.2 Å²	27.2	17%	0.168	13%	0.133	C	C	.	.	H	α-helix	trans	-68.2	-44.6	-175.3	-60.3	-173.9	0	0	0	110.5	D182 A186 I187 Q188 F203 D437 I448	D182-L184 WeakPolarHBondContact OD1-CA 3.36Å; D182-L184 PolarHBondContact OD1-N 3.45Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 2.86Å; L184-I187 PolarHBondContact O-N 2.95Å; L184-Q188 WeakPolarHBondContact O-CG 3.39Å; L184-Q188 PolarHBondContact O-N 3.04Å; L184-F203 HydrophobicContact CD2-CZ 3.86Å; L184-D437 VanDerWaalsContact CD1-OD2 3.31Å; L184-D437 WeakPolarHBondContact CD1-OD2 3.2Å; L184-I448 HydrophobicContact CD2-CB 4.31Å; L184-I448 HydrophobicContact CD2-CD1 4.02Å; L184-I448 HydrophobicContact CD2-CG2 4.05Å
185	S	91.9	Very high	94.7	Very high	31 Å²	31	35.5 Å²	35.5	22%	0.217	17%	0.172	C	C	.	.	H	α-helix	trans	-56.7	-42.1	171.2	-67	0	0	0	0	112	D182 Q188 V189	D182-S185 WeakPolarHBondContact OD1-CB 3.35Å; D182-S185 PolarHBondContact OD1-N 3.35Å; D182-S185 PolarHBondContact OD1-OG 3.43Å; D182-S185 VanDerWaalsContact OD2-CB 3.22Å; D182-S185 WeakPolarHBondContact OD2-CB 3.27Å; D182-S185 PolarHBondContact OD2-OG 3.36Å; S185-Q188 PolarHBondContact O-N 3.44Å; S185-V189 WeakPolarHBondContact O-CG2 3.39Å; S185-V189 PolarHBondContact O-N 2.81Å
186	A	96.1	Very high	94.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-46.7	176.3	0	0	0	0	0	111.7	L176 K178 D182 T183 L184 Q188 V189 L190 L237	L176-A186 HydrophobicContact CD2-CB 4.22Å; K178-A186 HydrophobicContact CD-CB 4.27Å; D182-A186 WeakPolarHBondContact O-CB 3.49Å; D182-A186 PolarHBondContact O-N 2.81Å; D182-A186 VanDerWaalsContact O-N 3.11Å; T183-A186 WeakPolarHBondContact O-CB 3.32Å; T183-A186 PolarHBondContact O-N 3.02Å; L184-A186 VanDerWaalsContact C-N 3.3Å; L184-A186 PolarHBondContact O-N 2.86Å; A186-Q188 VanDerWaalsContact C-N 3.35Å; A186-Q188 PolarHBondContact O-N 2.96Å; A186-V189 WeakPolarHBondContact O-CB 3.49Å; A186-V189 PolarHBondContact O-N 2.72Å; A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 2.89Å; A186-L190 VanDerWaalsContact O-N 3.07Å; A186-L237 HydrophobicContact CB-CD1 4.15Å; A186-L237 HydrophobicContact CB-CD2 3.67Å
187	I	96.8	Very high	93.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-39.6	177	-65.9	-52.1	0	0	0	111.7	L176 T183 L184 V189 L190 S191 P198 F201 F203 V217 I448	L176-I187 HydrophobicContact CD2-CD1 4.41Å; T183-I187 HydrophobicContact CG2-CG1 4.39Å; T183-I187 WeakPolarHBondContact O-CG1 3.25Å; T183-I187 PolarHBondContact O-N 2.97Å; L184-I187 PolarHBondContact O-N 2.95Å; I187-V189 VanDerWaalsContact C-N 3.35Å; I187-V189 PolarHBondContact O-N 3.26Å; I187-L190 HydrophobicContact CD1-CD1 4.29Å; I187-L190 PolarHBondContact O-N 3.29Å; I187-S191 VanDerWaalsContact O-CB 3.32Å; I187-S191 WeakPolarHBondContact O-CB 3.43Å; I187-S191 PolarHBondContact O-N 3.13Å; I187-S191 PolarHBondContact O-OG 2.82Å; I187-P198 HydrophobicContact CG2-CB 4.08Å; I187-F201 HydrophobicContact CD1-CB 3.84Å; I187-F201 HydrophobicContact CD1-CD1 4.41Å; I187-F201 HydrophobicContact CD1-CG 4.08Å; I187-F201 HydrophobicContact CG1-CB 4.49Å; I187-F201 HydrophobicContact CG2-CB 3.91Å; I187-F201 HydrophobicContact CG2-CD2 3.77Å; I187-F201 HydrophobicContact CG2-CG 4.08Å; I187-F203 HydrophobicContact CD1-CD1 4.33Å; I187-F203 HydrophobicContact CG1-CD1 4.1Å; I187-F203 HydrophobicContact CG1-CE1 3.89Å; I187-V217 HydrophobicContact CD1-CG1 4.28Å; I187-I448 HydrophobicContact CG2-CD1 4.1Å
188	Q	94.2	Very high	93.4	Very high	63 Å²	63	40.2 Å²	40.2	29%	0.294	21%	0.208	S	C	.	.	H	α-helix	trans	-61.7	-42	175	-73.5	174.7	-2.1	0	0	112	L184 S185 A186 S191 R192	L184-Q188 WeakPolarHBondContact O-CG 3.39Å; L184-Q188 PolarHBondContact O-N 3.04Å; S185-Q188 PolarHBondContact O-N 3.44Å; A186-Q188 VanDerWaalsContact C-N 3.35Å; A186-Q188 PolarHBondContact O-N 2.96Å; Q188-S191 PolarHBondContact O-N 2.67Å; Q188-R192 WeakPolarHBondContact O-CB 3.21Å; Q188-R192 PolarHBondContact O-N 2.89Å
189	V	95.9	Very high	93	Very high	30 Å²	30	43.9 Å²	43.9	18%	0.182	23%	0.234	C	C	.	.	H	α-helix	trans	-59.8	-47.8	175.1	170.2	0	0	0	0	110.8	S185 A186 I187 R192 F193 L234 L237	S185-V189 WeakPolarHBondContact O-CG2 3.39Å; S185-V189 PolarHBondContact O-N 2.81Å; A186-V189 WeakPolarHBondContact O-CB 3.49Å; A186-V189 PolarHBondContact O-N 2.72Å; I187-V189 VanDerWaalsContact C-N 3.35Å; I187-V189 PolarHBondContact O-N 3.26Å; V189-R192 PolarHBondContact O-N 2.7Å; V189-F193 HydrophobicContact CG1-CD2 3.77Å; V189-F193 HydrophobicContact CG1-CE2 3.7Å; V189-F193 VanDerWaalsContact O-CD2 3.26Å; V189-F193 WeakPolarHBondContact O-CD2 3.03Å; V189-F193 PolarHBondContact O-N 2.87Å; V189-F193 VanDerWaalsContact O-N 3.14Å; V189-L234 HydrophobicContact CG1-CD2 3.91Å; V189-L237 HydrophobicContact CB-CD1 4.14Å; V189-L237 HydrophobicContact CG1-CD1 3.95Å
190	L	96.9	Very high	92.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-46.8	177.3	-62.8	-177.5	0	0	0	111.7	L176 A186 I187 R192 F193 L194 F201 L230 L234 L239	L176-L190 HydrophobicContact CD1-CD1 4.46Å; A186-L190 WeakPolarHBondContact O-CG 3.48Å; A186-L190 PolarHBondContact O-N 2.89Å; A186-L190 VanDerWaalsContact O-N 3.07Å; I187-L190 HydrophobicContact CD1-CD1 4.29Å; I187-L190 PolarHBondContact O-N 3.29Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 3.06Å; L190-F193 PolarHBondContact O-N 3.08Å; L190-L194 WeakPolarHBondContact O-CB 3.21Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 2.94Å; L190-F201 HydrophobicContact CB-CE1 4.24Å; L190-F201 HydrophobicContact CB-CE2 4.14Å; L190-F201 HydrophobicContact CB-CZ 3.75Å; L190-F201 HydrophobicContact CD1-CE1 4.15Å; L190-F201 HydrophobicContact CD1-CZ 4.49Å; L190-L230 HydrophobicContact CD2-CD1 4.28Å; L190-L234 HydrophobicContact CD2-CD1 3.76Å; L190-L234 HydrophobicContact CD2-CD2 3.8Å; L190-L234 HydrophobicContact CD2-CG 4.45Å; L190-L239 HydrophobicContact CD1-CD1 4.47Å; L190-L239 HydrophobicContact CD1-CD2 4.1Å; L190-L239 HydrophobicContact CD2-CD1 3.95Å; L190-L239 HydrophobicContact CD2-CD2 4.19Å; L190-L239 HydrophobicContact CD2-CG 4.49Å
191	S	95.1	Very high	93.1	Very high	6 Å²	6	41 Å²	41	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-56.2	-43.8	179.5	-59.9	0	0	0	0	111.9	I187 Q188 L194 H195 V196 P198 F201	I187-S191 VanDerWaalsContact O-CB 3.32Å; I187-S191 WeakPolarHBondContact O-CB 3.43Å; I187-S191 PolarHBondContact O-N 3.13Å; I187-S191 PolarHBondContact O-OG 2.82Å; Q188-S191 PolarHBondContact O-N 2.67Å; S191-L194 PolarHBondContact O-N 3.36Å; S191-H195 PolarHBondContact O-N 3.04Å; S191-V196 WeakPolarHBondContact CB-O 3.3Å; S191-V196 PolarHBondContact O-N 3.3Å; S191-V196 VanDerWaalsContact O-N 3.07Å; S191-P198 VanDerWaalsContact OG-CA 3.32Å; S191-P198 WeakPolarHBondContact OG-CA 3.32Å; S191-F201 WeakPolarHBondContact OG-CE2 3.44Å
192	R	94.7	Very high	93.2	Very high	176 Å²	176	39.1 Å²	39.1	66%	0.664	21%	0.208	S	C	*	.	H	α-helix	trans	-66.2	-43.3	177.5	-177.8	173	58.7	156.2	-2.8	112.8	Q188 V189 L190 L194 H195	Q188-R192 WeakPolarHBondContact O-CB 3.21Å; Q188-R192 PolarHBondContact O-N 2.89Å; V189-R192 PolarHBondContact O-N 2.7Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 3.06Å; R192-L194 PolarHBondContact O-N 3.48Å; R192-H195 PolarHBondContact O-N 3.23Å
193	F	93.9	Very high	93.3	Very high	49 Å²	49	38.7 Å²	38.7	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-67.9	-26	178.2	-83.9	-66.3	0	0	0	113.3	V189 L190 L230 R233 L234	V189-F193 HydrophobicContact CG1-CD2 3.77Å; V189-F193 HydrophobicContact CG1-CE2 3.7Å; V189-F193 VanDerWaalsContact O-CD2 3.26Å; V189-F193 WeakPolarHBondContact O-CD2 3.03Å; V189-F193 PolarHBondContact O-N 2.87Å; V189-F193 VanDerWaalsContact O-N 3.14Å; L190-F193 PolarHBondContact O-N 3.08Å; F193-L230 HydrophobicContact CB-CD2 3.79Å; F193-L230 HydrophobicContact CG-CD2 4.42Å; F193-R233 VanDerWaalsContact CD1-CZ 3.49Å; F193-R233 HydrophobicContact CE1-CB 4.04Å; F193-R233 HydrophobicContact CZ-CB 4.24Å; F193-L234 HydrophobicContact CD2-CD2 3.89Å; F193-L234 HydrophobicContact CE2-CD2 3.98Å
194	L	92.5	Very high	93.2	Very high	30 Å²	30	38.7 Å²	38.7	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-99	-6.3	-178.2	-70.9	162	0	0	0	113.7	L190 S191 R192 V196 F201 I222 T226 L227 L230	L190-L194 WeakPolarHBondContact O-CB 3.21Å; L190-L194 WeakPolarHBondContact O-CG 3.48Å; L190-L194 PolarHBondContact O-N 2.94Å; S191-L194 PolarHBondContact O-N 3.36Å; R192-L194 PolarHBondContact O-N 3.48Å; L194-V196 VanDerWaalsContact C-N 3.29Å; L194-V196 HydrophobicContact CB-CG1 4.39Å; L194-V196 HydrophobicContact CB-CG2 3.93Å; L194-V196 PolarHBondContact O-N 3Å; L194-F201 HydrophobicContact CD1-CE1 4.32Å; L194-F201 HydrophobicContact CD1-CZ 3.61Å; L194-I222 HydrophobicContact CB-CD1 4.38Å; L194-I222 HydrophobicContact CD1-CD1 3.76Å; L194-I222 HydrophobicContact CD2-CD1 4.47Å; L194-I222 HydrophobicContact CD2-CG2 4.26Å; L194-I222 HydrophobicContact CG-CD1 4.42Å; L194-T226 HydrophobicContact CD2-CG2 3.44Å; L194-T226 VanDerWaalsContact CD2-CG2 3.44Å; L194-L227 HydrophobicContact CD1-CD2 4.12Å; L194-L230 HydrophobicContact CD1-CD1 3.68Å; L194-L230 HydrophobicContact CD2-CD1 3.91Å; L194-L230 HydrophobicContact CD2-CD2 4.46Å; L194-L230 HydrophobicContact CD2-CG 4.41Å; L194-L230 HydrophobicContact CG-CD1 3.71Å
195	H	91.5	Very high	93.1	Very high	175 Å²	175	37.6 Å²	37.6	81%	0.81	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	42.5	-174.6	-54.2	-72.2	0	0	0	113	S191 R192	S191-H195 PolarHBondContact O-N 3.04Å; R192-H195 PolarHBondContact O-N 3.23Å
196	V	91.6	Very high	93	Very high	48 Å²	48	38.2 Å²	38.2	29%	0.291	21%	0.205	S	C	.	.			trans	-123.5	162.5	177.5	-60.6	0	0	0	0	111.1	S191 L194 T200 F201 I222	S191-V196 WeakPolarHBondContact CB-O 3.3Å; S191-V196 PolarHBondContact O-N 3.3Å; S191-V196 VanDerWaalsContact O-N 3.07Å; L194-V196 VanDerWaalsContact C-N 3.29Å; L194-V196 HydrophobicContact CB-CG1 4.39Å; L194-V196 HydrophobicContact CB-CG2 3.93Å; L194-V196 PolarHBondContact O-N 3Å; V196-T200 HydrophobicContact CB-CG2 4.41Å; V196-T200 HydrophobicContact CG2-CG2 4.17Å; V196-F201 HydrophobicContact CG2-CE2 3.86Å; V196-F201 HydrophobicContact CG2-CZ 4.34Å; V196-I222 HydrophobicContact CG1-CD1 4.3Å; V196-I222 HydrophobicContact CG2-CD1 4.2Å
197	G	87.2	Confident	92.8	Very high	36 Å²	36	39 Å²	39	37%	0.371	21%	0.209	S	C	.	.			trans	-73.1	148.2	171.6	0	0	0	0	0	111.8	S199 T200	G197-S199 PolarHBondContact O-N 3.39Å; G197-S199 VanDerWaalsContact O-N 3.13Å; G197-T200 WeakPolarHBondContact O-CB 3.34Å; G197-T200 PolarHBondContact O-N 3.3Å; G197-T200 PolarHBondContact O-OG1 2.86Å
198	P	89.2	Confident	92.4	Very high	21 Å²	21	41.8 Å²	41.8	14%	0.136	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57.4	-25.6	177.1	-30.2	38.8	0	0	0	115.7	I187 S191 T200 F201 I448	I187-P198 HydrophobicContact CG2-CB 4.08Å; S191-P198 VanDerWaalsContact OG-CA 3.32Å; S191-P198 WeakPolarHBondContact OG-CA 3.32Å; P198-T200 PolarHBondContact O-N 2.85Å; P198-T200 VanDerWaalsContact O-N 3.08Å; P198-F201 PolarHBondContact O-N 3.05Å; P198-I448 HydrophobicContact CB-CD1 3.46Å; P198-I448 VanDerWaalsContact CB-CD1 3.46Å; P198-I448 HydrophobicContact CB-CG1 3.39Å; P198-I448 HydrophobicContact CG-CD1 4.36Å; P198-I448 HydrophobicContact CG-CG1 4.46Å
199	S	89.2	Confident	92.1	Very high	77 Å²	77	46.7 Å²	46.7	54%	0.538	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-64	-7.2	172.4	61.9	0	0	0	0	114.2	G197	G197-S199 PolarHBondContact O-N 3.39Å; G197-S199 VanDerWaalsContact O-N 3.13Å
200	T	91.9	Very high	91.8	Very high	26 Å²	26	49.1 Å²	49.1	16%	0.16	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-70.6	-22.8	171.7	-52.8	0	0	0	0	111.5	V196 G197 P198 A219 K220 I222	V196-T200 HydrophobicContact CB-CG2 4.41Å; V196-T200 HydrophobicContact CG2-CG2 4.17Å; G197-T200 WeakPolarHBondContact O-CB 3.34Å; G197-T200 PolarHBondContact O-N 3.3Å; G197-T200 PolarHBondContact O-OG1 2.86Å; P198-T200 PolarHBondContact O-N 2.85Å; P198-T200 VanDerWaalsContact O-N 3.08Å; T200-A219 WeakPolarHBondContact O-CA 3.26Å; T200-K220 HydrophobicContact CG2-CB 4.38Å; T200-K220 WeakPolarHBondContact CG2-O 3.44Å; T200-K220 PolarHBondContact O-N 3.19Å; T200-I222 HydrophobicContact CG2-CD1 3.9Å; T200-I222 HydrophobicContact CG2-CG1 4.24Å
201	F	95.6	Very high	91.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.3	-179.1	-57.6	-85.6	0	0	0	111.4	F174 I187 L190 S191 L194 V196 P198 V217 T218 A219 I222 N452	F174-F201 HydrophobicContact CZ-CD1 4.2Å; F174-F201 HydrophobicContact CZ-CE1 4.31Å; I187-F201 HydrophobicContact CD1-CB 3.84Å; I187-F201 HydrophobicContact CD1-CD1 4.41Å; I187-F201 HydrophobicContact CD1-CG 4.08Å; I187-F201 HydrophobicContact CG1-CB 4.49Å; I187-F201 HydrophobicContact CG2-CB 3.91Å; I187-F201 HydrophobicContact CG2-CD2 3.77Å; I187-F201 HydrophobicContact CG2-CG 4.08Å; L190-F201 HydrophobicContact CB-CE1 4.24Å; L190-F201 HydrophobicContact CB-CE2 4.14Å; L190-F201 HydrophobicContact CB-CZ 3.75Å; L190-F201 HydrophobicContact CD1-CE1 4.15Å; L190-F201 HydrophobicContact CD1-CZ 4.49Å; S191-F201 WeakPolarHBondContact OG-CE2 3.44Å; L194-F201 HydrophobicContact CD1-CE1 4.32Å; L194-F201 HydrophobicContact CD1-CZ 3.61Å; V196-F201 HydrophobicContact CG2-CE2 3.86Å; V196-F201 HydrophobicContact CG2-CZ 4.34Å; P198-F201 PolarHBondContact O-N 3.05Å; F201-V217 HydrophobicContact CB-CG1 4.34Å; F201-V217 HydrophobicContact CD1-CG1 4.21Å; F201-T218 CarbonylContact C-O 3.52Å; F201-T218 VanDerWaalsContact CA-O 3.3Å; F201-T218 WeakPolarHBondContact CA-O 3.43Å; F201-A219 HydrophobicContact CD1-CB 3.87Å; F201-A219 HydrophobicContact CE1-CB 3.82Å; F201-I222 HydrophobicContact CZ-CD1 4.27Å; F201-N452 PolarHBondContact O-ND2 3.43Å
202	S	95.2	Very high	91.7	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.063	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.1	173.8	-45	0	0	0	0	110.7	V217 T218 L249 N452	S202-V217 CarbonylContact O-C 3.5Å; S202-V217 WeakPolarHBondContact O-CA 3.35Å; S202-T218 PolarHBondContact N-O 3.07Å; S202-T218 PolarHBondContact O-N 3.38Å; S202-T218 PolarHBondContact O-OG1 2.7Å; S202-L249 WeakPolarHBondContact CB-O 3.36Å; S202-N452 WeakPolarHBondContact CA-ND2 3.44Å; S202-N452 WeakPolarHBondContact CB-OD1 3.42Å; S202-N452 PolarHBondContact OG-OD1 3.12Å
203	F	95.4	Very high	91.8	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	155.3	-172.6	49.6	-94.2	0	0	0	109.6	T183 L184 I187 T206 V217 L251 I448	T183-F203 HydrophobicContact CG2-CD1 4.24Å; T183-F203 HydrophobicContact CG2-CD2 3.99Å; T183-F203 HydrophobicContact CG2-CE1 4.15Å; T183-F203 HydrophobicContact CG2-CE2 3.88Å; T183-F203 HydrophobicContact CG2-CG 4.17Å; T183-F203 HydrophobicContact CG2-CZ 3.97Å; L184-F203 HydrophobicContact CD2-CZ 3.86Å; I187-F203 HydrophobicContact CD1-CD1 4.33Å; I187-F203 HydrophobicContact CG1-CD1 4.1Å; I187-F203 HydrophobicContact CG1-CE1 3.89Å; F203-T206 HydrophobicContact CE2-CG2 3.77Å; F203-T206 HydrophobicContact CZ-CG2 4.47Å; F203-V217 HydrophobicContact CB-CG2 4.22Å; F203-L251 HydrophobicContact CD2-CD2 3.96Å; F203-L251 HydrophobicContact CE2-CD2 3.75Å; F203-I448 HydrophobicContact CE1-CG2 3.96Å; F203-I448 HydrophobicContact CZ-CG2 3.92Å
204	A	90.9	Very high	92	Very high	1 Å²	1	39 Å²	39	1%	0.008	21%	0.206	C	C	.	.	S	Bend	trans	-83.2	-27.8	-172.7	0	0	0	0	0	114.1	E56 F250 L251 G252 D253 L254	E56-A204 WeakPolarHBondContact OE1-CB 3.37Å; A204-F250 WeakPolarHBondContact CA-O 3.31Å; A204-L251 CarbonylContact O-C 3.54Å; A204-L251 WeakPolarHBondContact O-CA 3.48Å; A204-G252 PolarHBondContact O-N 2.75Å; A204-D253 HydrophobicContact CB-CB 3.75Å; A204-L254 HydrophobicContact CB-CB 4Å; A204-L254 HydrophobicContact CB-CD2 4.08Å; A204-L254 WeakPolarHBondContact O-CD2 3.4Å
205	G	88.9	Confident	92.3	Very high	10 Å²	10	37.5 Å²	37.5	10%	0.103	20%	0.199	C	C	.	.			trans	-152.9	151.8	176.9	0	0	0	0	0	112.7	Q215	G205-Q215 PolarHBondContact O-NE2 2.8Å; G205-Q215 VanDerWaalsContact O-NE2 3.11Å
206	T	89.8	Confident	92.6	Very high	44 Å²	44	29.4 Å²	29.4	27%	0.27	16%	0.161	S	C	.	.			trans	-81.7	142.6	169.9	55.1	0	0	0	0	110.2	F203 N435	F203-T206 HydrophobicContact CE2-CG2 3.77Å; F203-T206 HydrophobicContact CZ-CG2 4.47Å; T206-N435 WeakPolarHBondContact OG1-CB 3.38Å; T206-N435 PolarHBondContact OG1-ND2 3.29Å
207	K	93.2	Very high	92.9	Very high	16 Å²	16	27.1 Å²	27.1	7%	0.07	15%	0.147	C	C	.	.			trans	-125.7	143.9	174.5	-45.1	-65.1	-175.1	-133.5	0	110.3	V54 E56 K178 D182 T183 T213 Q215 N257	V54-K207 HydrophobicContact CG1-CD 4.45Å; E56-K207 WeakPolarHBondContact OE2-CE 3.32Å; E56-K207 IonicContact OE2-NZ 3.83Å; E56-K207 PolarHBondContact OE2-NZ 2.97Å; K178-K207 WeakPolarHBondContact CE-O 3.44Å; K178-K207 PolarHBondContact NZ-O 2.82Å; D182-K207 WeakPolarHBondContact CA-O 3.36Å; T183-K207 PolarHBondContact N-O 2.59Å; T183-K207 VanDerWaalsContact N-O 3.13Å; T183-K207 PolarHBondContact OG1-N 3.43Å; T183-K207 PolarHBondContact OG1-O 3.23Å; K207-T213 HydrophobicContact CB-CG2 3.96Å; K207-T213 HydrophobicContact CG-CG2 4.49Å; K207-Q215 HydrophobicContact CG-CB 4.49Å; K207-N257 VanDerWaalsContact CE-OD1 3.26Å; K207-N257 WeakPolarHBondContact CE-OD1 3.45Å; K207-N257 PolarHBondContact NZ-OD1 2.85Å
208	D	87.5	Confident	93.4	Very high	58 Å²	58	25.4 Å²	25.4	31%	0.31	13%	0.13	S	C	.	.			trans	-74.2	167.8	-173.8	-54.3	-41.2	0	0	0	113.9	K178 Q292	K178-D208 PolarHBondContact NZ-O 3.31Å; D208-Q292 PolarHBondContact OD1-NE2 3Å; D208-Q292 PolarHBondContact OD2-OE1 3.36Å
209	R	88.7	Confident	93.7	Very high	166 Å²	166	24.4 Å²	24.4	63%	0.626	12%	0.123	S	C	*	.	S	Bend	trans	-69.1	-39.9	179.7	-177.1	175.2	178	168.5	-5.8	114.6	G180 D182 A211	G180-R209 WeakPolarHBondContact CA-O 3.49Å; G180-R209 WeakPolarHBondContact O-CG 3.48Å; G180-R209 PolarHBondContact O-NE 3.07Å; D182-R209 HydrophobicContact CB-CB 4.41Å; R209-A211 VanDerWaalsContact C-N 3.26Å; R209-A211 PolarHBondContact O-N 2.85Å
210	R	88.8	Confident	93.9	Very high	82 Å²	82	26.4 Å²	26.4	31%	0.309	12%	0.122	S	C	.	.	S	Bend	trans	-86.7	59.8	-174.4	-68	-174.1	68	-154.3	0.6	111.9	K46 W49 K616 K617	K46-R210 PolarHBondContact O-NH2 3.49Å; W49-R210 HydrophobicContact CB-CB 4.27Å; R210-K616 PolarHBondContact NH1-O 3.41Å; R210-K616 PolarHBondContact NH2-O 3.35Å; R210-K617 PolarHBondContact NH1-OXT 3.38Å; R210-K617 PolarHBondContact NH2-OXT 2.97Å; R210-K617 VanDerWaalsContact NH2-OXT 3.08Å
211	A	92.7	Very high	93.8	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.025	13%	0.13	C	C	.	.	S	Bend	trans	-163.8	158.3	177.5	0	0	0	0	0	110.2	F52 V54 R209 T213	F52-A211 HydrophobicContact CD1-CB 3.77Å; F52-A211 WeakPolarHBondContact O-CA 3.23Å; F52-A211 WeakPolarHBondContact O-CB 3.47Å; V54-A211 HydrophobicContact CG2-CB 4.28Å; R209-A211 VanDerWaalsContact C-N 3.26Å; R209-A211 PolarHBondContact O-N 2.85Å; A211-T213 HydrophobicContact CB-CG2 3.44Å; A211-T213 VanDerWaalsContact CB-CG2 3.44Å
212	I	96.5	Very high	93.6	Very high	11 Å²	11	27 Å²	27	6%	0.056	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122.6	156.9	-64.7	173.9	0	0	0	106.9	W49 E50 F52 I53 V54 Y177 E179	W49-I212 HydrophobicContact CE3-CG1 4.4Å; W49-I212 HydrophobicContact CH2-CG1 4.47Å; W49-I212 HydrophobicContact CZ3-CG1 3.71Å; E50-I212 HydrophobicContact CB-CD1 3.86Å; E50-I212 HydrophobicContact CB-CG1 4.48Å; E50-I212 HydrophobicContact CG-CD1 4.18Å; F52-I212 PolarHBondContact O-N 2.71Å; I53-I212 CarbonylContact C-O 3.5Å; I53-I212 VanDerWaalsContact CA-O 3.25Å; I53-I212 WeakPolarHBondContact CA-O 3.41Å; I53-I212 HydrophobicContact CG1-CB 4.37Å; V54-I212 PolarHBondContact N-O 2.74Å; Y177-I212 HydrophobicContact CD2-CG2 4.24Å; Y177-I212 HydrophobicContact CE2-CG2 3.39Å; E179-I212 HydrophobicContact CB-CG1 4.22Å
213	T	97.7	Very high	93.5	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	145.1	-174.3	72.6	0	0	0	0	113	V54 Y177 K178 K207 A211	V54-T213 HydrophobicContact CB-CG2 3.9Å; V54-T213 HydrophobicContact CG2-CG2 4.18Å; V54-T213 CarbonylContact O-C 3.52Å; V54-T213 WeakPolarHBondContact O-CA 3.36Å; Y177-T213 CarbonylContact C-O 3.56Å; Y177-T213 WeakPolarHBondContact CA-O 3.32Å; K178-T213 WeakPolarHBondContact CE-OG1 3.42Å; K178-T213 WeakPolarHBondContact CG-OG1 3.49Å; K178-T213 PolarHBondContact N-O 3.26Å; K178-T213 PolarHBondContact NZ-OG1 3.06Å; K178-T213 PolarHBondContact O-N 2.98Å; K207-T213 HydrophobicContact CB-CG2 3.96Å; K207-T213 HydrophobicContact CG-CG2 4.49Å; A211-T213 HydrophobicContact CB-CG2 3.44Å; A211-T213 VanDerWaalsContact CB-CG2 3.44Å
214	T	98.4	Very high	93.5	Very high	2 Å²	2	27 Å²	27	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.3	169.9	55.2	0	0	0	0	110.3	V54 R55 E56 A63 L65 V175 L176 Y177 D553	V54-T214 PolarHBondContact O-N 3.3Å; R55-T214 WeakPolarHBondContact CG-OG1 3.36Å; E56-T214 PolarHBondContact N-O 3.25Å; A63-T214 WeakPolarHBondContact O-CB 3.49Å; A63-T214 PolarHBondContact O-OG1 3.23Å; L65-T214 HydrophobicContact CB-CG2 4.43Å; V175-T214 HydrophobicContact CG1-CG2 4.37Å; L176-T214 VanDerWaalsContact O-CA 3.29Å; L176-T214 WeakPolarHBondContact O-CA 3.26Å; Y177-T214 HydrophobicContact CD2-CG2 3.78Å; Y177-T214 HydrophobicContact CG-CG2 4.37Å; T214-D553 HydrophobicContact CG2-CB 4.46Å
215	Q	98.1	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.7	-174.4	65.1	-158.6	90.4	0	0	111.2	E56 V175 L176 T183 G205 K207 V217	E56-Q215 HydrophobicContact CB-CB 4.35Å; V175-Q215 WeakPolarHBondContact CA-O 3.46Å; L176-Q215 HydrophobicContact CB-CG 4.15Å; L176-Q215 HydrophobicContact CD2-CG 4.38Å; L176-Q215 PolarHBondContact N-O 3.13Å; L176-Q215 PolarHBondContact O-N 3.12Å; T183-Q215 PolarHBondContact OG1-NE2 3.22Å; T183-Q215 VanDerWaalsContact OG1-NE2 3.17Å; T183-Q215 PolarHBondContact OG1-OE1 3.48Å; G205-Q215 PolarHBondContact O-NE2 2.8Å; G205-Q215 VanDerWaalsContact O-NE2 3.11Å; K207-Q215 HydrophobicContact CG-CB 4.49Å; Q215-V217 HydrophobicContact CG-CG2 4.24Å
216	F	98.1	Very high	93.9	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.018	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138	175.8	-62.7	-63.5	0	0	0	110.9	E56 R58 A63 H173 V175 L249	E56-F216 HydrophobicContact CB-CD2 4.43Å; E56-F216 HydrophobicContact CG-CD2 4.2Å; E56-F216 WeakPolarHBondContact OE1-CD2 3.29Å; R58-F216 HydrophobicContact CB-CE2 4.44Å; R58-F216 HydrophobicContact CG-CD2 4.16Å; R58-F216 HydrophobicContact CG-CE2 4.05Å; A63-F216 VanDerWaalsContact CA-CZ 3.49Å; A63-F216 HydrophobicContact CB-CD1 3.88Å; A63-F216 HydrophobicContact CB-CD2 3.99Å; A63-F216 HydrophobicContact CB-CE1 3.7Å; A63-F216 HydrophobicContact CB-CE2 3.81Å; A63-F216 HydrophobicContact CB-CG 4.04Å; A63-F216 HydrophobicContact CB-CZ 3.67Å; A63-F216 VanDerWaalsContact N-CZ 3.27Å; H173-F216 AromaticContact CE1-CD1 3.4Å; H173-F216 WeakPolarHBondContact CE1-CD1 2.96Å; H173-F216 AromaticContact CE1-CE1 3.94Å; H173-F216 AromaticContact NE2-CD1 3.37Å; H173-F216 WeakPolarHBondContact NE2-CD1 3.18Å; H173-F216 AromaticContact NE2-CG 3.7Å; V175-F216 HydrophobicContact CG2-CD1 4.13Å; V175-F216 HydrophobicContact CG2-CE1 4.11Å; F216-L249 VanDerWaalsContact C-CD1 3.49Å; F216-L249 HydrophobicContact CB-CD1 3.74Å; F216-L249 WeakPolarHBondContact O-CD1 3.4Å
217	V	98.2	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	146.2	177.6	-174	0	0	0	0	109.2	H173 F174 L176 I187 F201 S202 F203 Q215	H173-V217 CarbonylContact C-O 3.58Å; H173-V217 WeakPolarHBondContact CA-O 3.12Å; F174-V217 HydrophobicContact CD1-CB 4.49Å; F174-V217 HydrophobicContact CD2-CB 4.16Å; F174-V217 HydrophobicContact CE1-CB 3.99Å; F174-V217 HydrophobicContact CE1-CG1 3.84Å; F174-V217 HydrophobicContact CE2-CB 3.61Å; F174-V217 HydrophobicContact CE2-CG1 3.91Å; F174-V217 HydrophobicContact CE2-CG2 4.19Å; F174-V217 HydrophobicContact CZ-CB 3.53Å; F174-V217 HydrophobicContact CZ-CG1 3.34Å; F174-V217 HydrophobicContact CZ-CG2 4.46Å; F174-V217 PolarHBondContact N-O 3.2Å; F174-V217 PolarHBondContact O-N 3.13Å; L176-V217 HydrophobicContact CB-CG2 3.56Å; L176-V217 HydrophobicContact CD2-CG2 3.98Å; L176-V217 HydrophobicContact CG-CG2 4.42Å; I187-V217 HydrophobicContact CD1-CG1 4.28Å; F201-V217 HydrophobicContact CB-CG1 4.34Å; F201-V217 HydrophobicContact CD1-CG1 4.21Å; S202-V217 CarbonylContact O-C 3.5Å; S202-V217 WeakPolarHBondContact O-CA 3.35Å; F203-V217 HydrophobicContact CB-CG2 4.22Å; Q215-V217 HydrophobicContact CG-CG2 4.24Å
218	T	97.2	Very high	94.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.6	170.6	46.3	0	0	0	0	109.7	C172 H173 F201 S202 V245 L249	C172-T218 CarbonylContact O-C 3.5Å; C172-T218 VanDerWaalsContact O-CA 3.31Å; C172-T218 WeakPolarHBondContact O-CA 3.29Å; H173-T218 HydrophobicContact CB-CG2 3.97Å; F201-T218 CarbonylContact C-O 3.52Å; F201-T218 VanDerWaalsContact CA-O 3.3Å; F201-T218 WeakPolarHBondContact CA-O 3.43Å; S202-T218 PolarHBondContact N-O 3.07Å; S202-T218 PolarHBondContact O-N 3.38Å; S202-T218 PolarHBondContact O-OG1 2.7Å; T218-V245 HydrophobicContact CG2-CG2 3.97Å; T218-L249 HydrophobicContact CG2-CD1 4.03Å; T218-L249 HydrophobicContact CG2-CG 3.75Å; T218-L249 PolarHBondContact OG1-N 2.92Å
219	A	95.8	Very high	94.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.5	173.5	0	0	0	0	0	110.4	Y171 C172 F174 T200 F201 I222 L227	Y171-A219 WeakPolarHBondContact CA-O 3.34Å; C172-A219 PolarHBondContact N-O 2.6Å; C172-A219 PolarHBondContact O-N 3.29Å; F174-A219 HydrophobicContact CE1-CB 3.88Å; T200-A219 WeakPolarHBondContact O-CA 3.26Å; F201-A219 HydrophobicContact CD1-CB 3.87Å; F201-A219 HydrophobicContact CE1-CB 3.82Å; A219-I222 HydrophobicContact CB-CB 4.2Å; A219-I222 HydrophobicContact CB-CD1 4.41Å; A219-I222 HydrophobicContact CB-CG1 4.45Å; A219-L227 HydrophobicContact CB-CD1 4.45Å
220	K	92.9	Very high	95.1	Very high	118 Å²	118	27.8 Å²	27.8	51%	0.513	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	129.4	178.2	-168.3	177.2	-177.1	173.7	0	111.1	Y171 T200 I222	Y171-K220 HydrophobicContact CD1-CB 3.77Å; Y171-K220 HydrophobicContact CD1-CG 4.1Å; Y171-K220 HydrophobicContact CE1-CB 3.55Å; Y171-K220 HydrophobicContact CE1-CD 3.91Å; Y171-K220 HydrophobicContact CE1-CG 3.64Å; T200-K220 HydrophobicContact CG2-CB 4.38Å; T200-K220 WeakPolarHBondContact CG2-O 3.44Å; T200-K220 PolarHBondContact O-N 3.19Å; K220-I222 PolarHBondContact O-N 3.49Å
221	G	89.3	Confident	95.5	Very high	31 Å²	31	24.6 Å²	24.6	32%	0.32	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	17.6	173.7	0	0	0	0	0	115.4	P170	P170-G221 PolarHBondContact O-N 2.84Å
222	I	92.3	Very high	95.6	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.036	17%	0.165	C	C	.	.			trans	-124	128.1	175.5	-48.5	-173.6	0	0	0	109	M165 C172 L194 V196 T200 F201 A219 K220 T226 L227	M165-I222 VanDerWaalsContact CE-N 3.32Å; C172-I222 WeakPolarHBondContact CB-O 3.04Å; L194-I222 HydrophobicContact CB-CD1 4.38Å; L194-I222 HydrophobicContact CD1-CD1 3.76Å; L194-I222 HydrophobicContact CD2-CD1 4.47Å; L194-I222 HydrophobicContact CD2-CG2 4.26Å; L194-I222 HydrophobicContact CG-CD1 4.42Å; V196-I222 HydrophobicContact CG1-CD1 4.3Å; V196-I222 HydrophobicContact CG2-CD1 4.2Å; T200-I222 HydrophobicContact CG2-CD1 3.9Å; T200-I222 HydrophobicContact CG2-CG1 4.24Å; F201-I222 HydrophobicContact CZ-CD1 4.27Å; A219-I222 HydrophobicContact CB-CB 4.2Å; A219-I222 HydrophobicContact CB-CD1 4.41Å; A219-I222 HydrophobicContact CB-CG1 4.45Å; K220-I222 PolarHBondContact O-N 3.49Å; I222-T226 HydrophobicContact CG2-CG2 3.94Å; I222-L227 HydrophobicContact CG2-CD1 4.46Å; I222-L227 HydrophobicContact CG2-CD2 3.96Å; I222-L227 HydrophobicContact CG2-CG 3.83Å
223	N	92.4	Very high	95.5	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	19%	0.187	C	C	.	.			trans	-86.6	165.1	-178.7	79.5	0.6	0	0	0	113.2	D73 N163 M165 K225 T226 L227 Y244	D73-N223 WeakPolarHBondContact OD1-CB 3.3Å; D73-N223 PolarHBondContact OD1-ND2 2.8Å; D73-N223 PolarHBondContact OD2-ND2 2.93Å; N163-N223 HydrophobicContact CB-CB 3.86Å; N163-N223 WeakPolarHBondContact O-CB 3.37Å; N163-N223 PolarHBondContact O-ND2 2.9Å; M165-N223 HydrophobicContact CG-CB 4.35Å; N223-K225 VanDerWaalsContact C-N 3.3Å; N223-K225 PolarHBondContact O-N 2.79Å; N223-K225 PolarHBondContact OD1-N 3.04Å; N223-T226 PolarHBondContact O-N 2.97Å; N223-T226 WeakPolarHBondContact OD1-CB 3.49Å; N223-T226 PolarHBondContact OD1-N 2.71Å; N223-T226 PolarHBondContact OD1-OG1 3.46Å; N223-T226 VanDerWaalsContact OD1-OG1 3.05Å; N223-L227 WeakPolarHBondContact O-CG 3.47Å; N223-L227 PolarHBondContact O-N 3.33Å; N223-Y244 WeakPolarHBondContact CB-OH 3.46Å
224	S	95.5	Very high	95.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-38.4	-178.6	72.8	0	0	0	0	112.3	I71 L227 S228 Y244	I71-S224 PolarHBondContact N-OG 3.07Å; I71-S224 VanDerWaalsContact N-OG 3.08Å; I71-S224 PolarHBondContact O-OG 2.94Å; S224-L227 PolarHBondContact O-N 2.78Å; S224-S228 VanDerWaalsContact O-CB 3.29Å; S224-S228 WeakPolarHBondContact O-CB 2.88Å; S224-S228 PolarHBondContact O-N 2.76Å; S224-Y244 PolarHBondContact N-OH 2.98Å; S224-Y244 PolarHBondContact OG-OH 2.69Å
225	K	94.8	Very high	95.1	Very high	133 Å²	133	44.3 Å²	44.3	58%	0.578	22%	0.224	S	C	*	.	H	α-helix	trans	-61.6	-48.1	179.6	-174.5	176	-178.1	175.2	0	111.6	P70 N223 S228 L229	P70-K225 HydrophobicContact CB-CB 4.24Å; N223-K225 VanDerWaalsContact C-N 3.3Å; N223-K225 PolarHBondContact O-N 2.79Å; N223-K225 PolarHBondContact OD1-N 3.04Å; K225-S228 PolarHBondContact O-N 3.41Å; K225-L229 HydrophobicContact CG-CD1 4.35Å; K225-L229 VanDerWaalsContact O-CG 3.26Å; K225-L229 WeakPolarHBondContact O-CG 3.36Å; K225-L229 PolarHBondContact O-N 3.09Å
226	T	94.4	Very high	95	Very high	36 Å²	36	44.9 Å²	44.9	22%	0.221	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-43	177	-64.7	0	0	0	0	111.4	N163 L194 I222 N223	N163-T226 PolarHBondContact ND2-OG1 3.14Å; L194-T226 HydrophobicContact CD2-CG2 3.44Å; L194-T226 VanDerWaalsContact CD2-CG2 3.44Å; I222-T226 HydrophobicContact CG2-CG2 3.94Å; N223-T226 PolarHBondContact O-N 2.97Å; N223-T226 WeakPolarHBondContact OD1-CB 3.49Å; N223-T226 PolarHBondContact OD1-N 2.71Å; N223-T226 PolarHBondContact OD1-OG1 3.46Å; N223-T226 VanDerWaalsContact OD1-OG1 3.05Å
227	L	96.8	Very high	95	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-45.4	177.4	-68	167.2	0	0	0	112.1	C172 F174 L194 A219 I222 N223 S224 L229 L230 L239 F242	C172-L227 HydrophobicContact CB-CD1 4.01Å; F174-L227 HydrophobicContact CD1-CD1 3.79Å; F174-L227 HydrophobicContact CE1-CD1 3.93Å; F174-L227 HydrophobicContact CE1-CD2 4.43Å; F174-L227 HydrophobicContact CG-CD1 4.5Å; L194-L227 HydrophobicContact CD1-CD2 4.12Å; A219-L227 HydrophobicContact CB-CD1 4.45Å; I222-L227 HydrophobicContact CG2-CD1 4.46Å; I222-L227 HydrophobicContact CG2-CD2 3.96Å; I222-L227 HydrophobicContact CG2-CG 3.83Å; N223-L227 WeakPolarHBondContact O-CG 3.47Å; N223-L227 PolarHBondContact O-N 3.33Å; S224-L227 PolarHBondContact O-N 2.78Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L227-L229 PolarHBondContact O-N 3.28Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 2.81Å; L227-L230 VanDerWaalsContact O-N 3.17Å; L227-L239 HydrophobicContact CB-CD1 4.07Å; L227-L239 HydrophobicContact CD2-CD1 3.91Å; L227-F242 HydrophobicContact CB-CD1 4.48Å; L227-F242 HydrophobicContact CB-CE1 3.56Å; L227-F242 HydrophobicContact CB-CZ 4.03Å; L227-F242 HydrophobicContact CD1-CD1 4.31Å; L227-F242 HydrophobicContact CD1-CE1 4.02Å; L227-F242 HydrophobicContact CG-CE1 4.44Å
228	S	96.5	Very high	95	Very high	23 Å²	23	47.8 Å²	47.8	16%	0.161	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-40.5	179.3	-179.3	0	0	0	0	112.1	L68 S224 K225 L230 N231	L68-S228 PolarHBondContact O-OG 3.07Å; S224-S228 VanDerWaalsContact O-CB 3.29Å; S224-S228 WeakPolarHBondContact O-CB 2.88Å; S224-S228 PolarHBondContact O-N 2.76Å; K225-S228 PolarHBondContact O-N 3.41Å; S228-L230 PolarHBondContact O-N 3.22Å; S228-N231 VanDerWaalsContact O-CB 3.29Å; S228-N231 WeakPolarHBondContact O-CB 3.43Å; S228-N231 PolarHBondContact O-N 2.9Å; S228-N231 PolarHBondContact O-ND2 3.42Å
229	L	95.8	Very high	95	Very high	110 Å²	110	47.8 Å²	47.8	58%	0.576	24%	0.24	S	C	*	.	H	α-helix	trans	-59.2	-29.8	176.6	-75.5	169.3	0	0	0	113.3	K225 L227 N231 T232	K225-L229 HydrophobicContact CG-CD1 4.35Å; K225-L229 VanDerWaalsContact O-CG 3.26Å; K225-L229 WeakPolarHBondContact O-CG 3.36Å; K225-L229 PolarHBondContact O-N 3.09Å; L227-L229 VanDerWaalsContact C-N 3.35Å; L227-L229 PolarHBondContact O-N 3.28Å; L229-N231 PolarHBondContact O-N 3.11Å; L229-T232 PolarHBondContact O-OG1 2.95Å
230	L	95.6	Very high	95.2	Very high	11 Å²	11	47.8 Å²	47.8	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-63.9	-27.4	177.2	-65.8	-179	0	0	0	113	L190 F193 L194 L227 S228 T232 R233 L234 L239	L190-L230 HydrophobicContact CD2-CD1 4.28Å; F193-L230 HydrophobicContact CB-CD2 3.79Å; F193-L230 HydrophobicContact CG-CD2 4.42Å; L194-L230 HydrophobicContact CD1-CD1 3.68Å; L194-L230 HydrophobicContact CD2-CD1 3.91Å; L194-L230 HydrophobicContact CD2-CD2 4.46Å; L194-L230 HydrophobicContact CD2-CG 4.41Å; L194-L230 HydrophobicContact CG-CD1 3.71Å; L227-L230 WeakPolarHBondContact O-CB 3.34Å; L227-L230 PolarHBondContact O-N 2.81Å; L227-L230 VanDerWaalsContact O-N 3.17Å; S228-L230 PolarHBondContact O-N 3.22Å; L230-T232 PolarHBondContact O-N 3.2Å; L230-R233 WeakPolarHBondContact O-CA 3.47Å; L230-R233 PolarHBondContact O-N 2.94Å; L230-L234 HydrophobicContact CB-CD1 3.82Å; L230-L234 HydrophobicContact CB-CG 4.09Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.87Å; L230-L239 HydrophobicContact CD1-CD1 4.31Å
231	N	97.3	Very high	95.4	Very high	14 Å²	14	44.3 Å²	44.3	8%	0.075	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.4	-176.9	-75.9	-37.8	0	0	0	113.3	S228 L229 R233 R238 L239	S228-N231 VanDerWaalsContact O-CB 3.29Å; S228-N231 WeakPolarHBondContact O-CB 3.43Å; S228-N231 PolarHBondContact O-N 2.9Å; S228-N231 PolarHBondContact O-ND2 3.42Å; L229-N231 PolarHBondContact O-N 3.11Å; N231-R233 VanDerWaalsContact C-N 3.28Å; N231-R233 PolarHBondContact O-N 2.8Å; N231-R238 WeakPolarHBondContact OD1-CA 3.46Å; N231-L239 PolarHBondContact ND2-O 3.46Å; N231-L239 PolarHBondContact OD1-N 3.17Å
232	T	93.6	Very high	95.8	Very high	126 Å²	126	43.6 Å²	43.6	77%	0.773	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.3	176.5	61.2	0	0	0	0	114	L229 L230	L229-T232 PolarHBondContact O-OG1 2.95Å; L230-T232 PolarHBondContact O-N 3.2Å
233	R	94.1	Very high	95.9	Very high	138 Å²	138	45.3 Å²	45.3	52%	0.521	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-10.9	-176.4	-59	176.5	68.8	-165.8	3	113.1	F193 L230 N231	F193-R233 VanDerWaalsContact CD1-CZ 3.49Å; F193-R233 HydrophobicContact CE1-CB 4.04Å; F193-R233 HydrophobicContact CZ-CB 4.24Å; L230-R233 WeakPolarHBondContact O-CA 3.47Å; L230-R233 PolarHBondContact O-N 2.94Å; N231-R233 VanDerWaalsContact C-N 3.28Å; N231-R233 PolarHBondContact O-N 2.8Å
234	L	95.7	Very high	96	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	23%	0.233	C	C	.	.			trans	-86.9	119.3	-176.8	-72.1	176	0	0	0	110.9	V189 L190 F193 L230 L237 R238 L239	V189-L234 HydrophobicContact CG1-CD2 3.91Å; L190-L234 HydrophobicContact CD2-CD1 3.76Å; L190-L234 HydrophobicContact CD2-CD2 3.8Å; L190-L234 HydrophobicContact CD2-CG 4.45Å; F193-L234 HydrophobicContact CD2-CD2 3.89Å; F193-L234 HydrophobicContact CE2-CD2 3.98Å; L230-L234 HydrophobicContact CB-CD1 3.82Å; L230-L234 HydrophobicContact CB-CG 4.09Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.87Å; L234-L237 HydrophobicContact CB-CB 4.1Å; L234-L237 WeakPolarHBondContact CB-O 3.4Å; L234-L237 HydrophobicContact CD1-CB 4.25Å; L234-L237 HydrophobicContact CD2-CB 4.47Å; L234-L237 HydrophobicContact CD2-CD1 4.18Å; L234-L237 HydrophobicContact CG-CB 4.49Å; L234-R238 PolarHBondContact O-NH1 3.43Å; L234-L239 HydrophobicContact CD1-CD1 4.18Å; L234-L239 HydrophobicContact CD1-CD2 4.44Å; L234-L239 HydrophobicContact CD1-CG 3.95Å
235	H	93.7	Very high	95.9	Very high	163 Å²	163	49 Å²	49	76%	0.755	25%	0.246	S	C	*	.	S	Bend	trans	-94	121.3	172.7	-64	-79.4	0	0	0	110	K181 L237	K181-H235 PolarHBondContact NZ-O 3.38Å; H235-L237 PolarHBondContact O-N 3.04Å
236	G	94.7	Very high	95.6	Very high	12 Å²	12	46.9 Å²	46.9	12%	0.124	25%	0.248	C	C	.	.	S	Bend	trans	64.8	20.6	-178.6	0	0	0	0	0	115.4	K178 E179	K178-G236 WeakPolarHBondContact CA-O 3.2Å; E179-G236 PolarHBondContact N-O 2.9Å; E179-G236 VanDerWaalsContact OE1-CA 3.29Å; E179-G236 WeakPolarHBondContact OE1-CA 3.38Å
237	L	98	Very high	95.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142	172.1	-57.6	173.2	0	0	0	108.9	L176 Y177 K178 K181 A186 V189 L234 H235	L176-L237 HydrophobicContact CD1-CD2 4.36Å; Y177-L237 CarbonylContact O-C 3.54Å; Y177-L237 VanDerWaalsContact O-CA 3.26Å; Y177-L237 WeakPolarHBondContact O-CA 3.5Å; K178-L237 HydrophobicContact CB-CD2 3.3Å; K181-L237 HydrophobicContact CD-CD1 4.32Å; K181-L237 HydrophobicContact CD-CD2 4.15Å; K181-L237 HydrophobicContact CD-CG 4.24Å; A186-L237 HydrophobicContact CB-CD1 4.15Å; A186-L237 HydrophobicContact CB-CD2 3.67Å; V189-L237 HydrophobicContact CB-CD1 4.14Å; V189-L237 HydrophobicContact CG1-CD1 3.95Å; L234-L237 HydrophobicContact CB-CB 4.1Å; L234-L237 WeakPolarHBondContact CB-O 3.4Å; L234-L237 HydrophobicContact CD1-CB 4.25Å; L234-L237 HydrophobicContact CD2-CB 4.47Å; L234-L237 HydrophobicContact CD2-CD1 4.18Å; L234-L237 HydrophobicContact CG-CB 4.49Å; H235-L237 PolarHBondContact O-N 3.04Å
238	R	98.2	Very high	95.1	Very high	64 Å²	64	49.5 Å²	49.5	24%	0.242	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.1	170.8	-67.7	-71.2	-178.5	-86.6	5.2	110.4	L65 L68 Y177 N231 L234 L554	L65-R238 HydrophobicContact CD2-CB 3.58Å; L65-R238 HydrophobicContact CD2-CG 4.41Å; L68-R238 HydrophobicContact CD2-CB 4.48Å; Y177-R238 HydrophobicContact CD1-CB 4.35Å; Y177-R238 HydrophobicContact CD1-CG 4.49Å; Y177-R238 PolarHBondContact N-O 2.81Å; Y177-R238 PolarHBondContact O-N 2.8Å; N231-R238 WeakPolarHBondContact OD1-CA 3.46Å; L234-R238 PolarHBondContact O-NH1 3.43Å; R238-L554 HydrophobicContact CG-CD1 3.79Å; R238-L554 HydrophobicContact CG-CD2 3.81Å; R238-L554 HydrophobicContact CG-CG 4.41Å
239	L	98.6	Very high	95	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	130.5	-179.8	-45.9	-173.1	0	0	0	108.5	F174 V175 L176 L190 L227 L230 N231 L234 F242	F174-L239 HydrophobicContact CD2-CB 4.24Å; F174-L239 HydrophobicContact CD2-CD2 4.12Å; F174-L239 HydrophobicContact CE2-CD1 4.45Å; F174-L239 HydrophobicContact CE2-CD2 3.74Å; F174-L239 HydrophobicContact CE2-CG 4.48Å; V175-L239 WeakPolarHBondContact O-CA 3.41Å; L176-L239 HydrophobicContact CD1-CD2 3.44Å; L176-L239 VanDerWaalsContact CD1-CD2 3.44Å; L190-L239 HydrophobicContact CD1-CD1 4.47Å; L190-L239 HydrophobicContact CD1-CD2 4.1Å; L190-L239 HydrophobicContact CD2-CD1 3.95Å; L190-L239 HydrophobicContact CD2-CD2 4.19Å; L190-L239 HydrophobicContact CD2-CG 4.49Å; L227-L239 HydrophobicContact CB-CD1 4.07Å; L227-L239 HydrophobicContact CD2-CD1 3.91Å; L230-L239 HydrophobicContact CD1-CD1 4.31Å; N231-L239 PolarHBondContact ND2-O 3.46Å; N231-L239 PolarHBondContact OD1-N 3.17Å; L234-L239 HydrophobicContact CD1-CD1 4.18Å; L234-L239 HydrophobicContact CD1-CD2 4.44Å; L234-L239 HydrophobicContact CD1-CG 3.95Å; L239-F242 HydrophobicContact CB-CE1 4.25Å; L239-F242 HydrophobicContact CB-CZ 4.03Å; L239-F242 WeakPolarHBondContact O-CZ 3.24Å
240	G	98.1	Very high	94.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	-170.5	-177.3	0	0	0	0	0	113	D67 F174 V175 F242	D67-G240 CarbonylContact O-C 3.52Å; D67-G240 WeakPolarHBondContact O-CA 3.33Å; F174-G240 WeakPolarHBondContact CA-O 3.37Å; F174-G240 WeakPolarHBondContact CB-O 3.44Å; V175-G240 PolarHBondContact N-O 3.29Å; V175-G240 PolarHBondContact O-N 3.2Å; V175-G240 VanDerWaalsContact O-N 3.12Å; G240-F242 VanDerWaalsContact C-N 3.29Å; G240-F242 PolarHBondContact O-N 2.98Å
241	N	98.2	Very high	94.1	Very high	46 Å²	46	48.5 Å²	48.5	25%	0.246	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	51.9	49.7	178.9	-65.2	76	0	0	0	111.7	R64 L65 T66 D67 V175	R64-N241 VanDerWaalsContact O-CG 3.24Å; R64-N241 PolarHBondContact O-ND2 3.11Å; R64-N241 PolarHBondContact O-OD1 3.18Å; R64-N241 VanDerWaalsContact O-OD1 3.12Å; L65-N241 WeakPolarHBondContact CA-OD1 3.32Å; T66-N241 PolarHBondContact N-OD1 2.81Å; T66-N241 PolarHBondContact OG1-ND2 3.11Å; D67-N241 PolarHBondContact N-OD1 2.75Å; D67-N241 PolarHBondContact O-N 2.83Å; D67-N241 PolarHBondContact O-OD1 3.18Å; V175-N241 HydrophobicContact CB-CB 4.14Å; V175-N241 HydrophobicContact CG2-CB 3.77Å
242	F	97.6	Very high	93.6	Very high	16 Å²	16	49.1 Å²	49.1	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	145.8	-173.4	-58.8	-76.8	0	0	0	112	T69 I71 H173 F174 L227 L239 G240	T69-F242 WeakPolarHBondContact O-CD2 3.09Å; I71-F242 HydrophobicContact CD1-CB 4.28Å; I71-F242 HydrophobicContact CG1-CB 3.98Å; H173-F242 CarbonylContact O-C 3.55Å; H173-F242 WeakPolarHBondContact O-CA 3.41Å; F174-F242 HydrophobicContact CB-CD1 3.59Å; F174-F242 HydrophobicContact CB-CE1 3.77Å; F174-F242 HydrophobicContact CG-CD1 4.44Å; F174-F242 HydrophobicContact CG-CE1 4.3Å; L227-F242 HydrophobicContact CB-CD1 4.48Å; L227-F242 HydrophobicContact CB-CE1 3.56Å; L227-F242 HydrophobicContact CB-CZ 4.03Å; L227-F242 HydrophobicContact CD1-CD1 4.31Å; L227-F242 HydrophobicContact CD1-CE1 4.02Å; L227-F242 HydrophobicContact CG-CE1 4.44Å; L239-F242 HydrophobicContact CB-CE1 4.25Å; L239-F242 HydrophobicContact CB-CZ 4.03Å; L239-F242 WeakPolarHBondContact O-CZ 3.24Å; G240-F242 VanDerWaalsContact C-N 3.29Å; G240-F242 PolarHBondContact O-N 2.98Å
243	S	95.4	Very high	93.4	Very high	43 Å²	43	45.1 Å²	45.1	30%	0.301	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	157.1	173	46.4	0	0	0	0	108.8	C172 H173	C172-S243 CarbonylContact C-O 3.52Å; H173-S243 WeakPolarHBondContact CB-OG 3.4Å; H173-S243 PolarHBondContact N-O 2.9Å; H173-S243 PolarHBondContact ND1-OG 2.9Å; H173-S243 PolarHBondContact O-N 2.93Å; H173-S243 VanDerWaalsContact O-O 3.12Å; H173-S243 PolarHBondContact O-OG 2.85Å
244	Y	94	Very high	93.3	Very high	42 Å²	42	39 Å²	39	17%	0.165	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.8	175.9	-69	-69.7	0	0	0	110.4	I71 P72 D73 P74 M165 Y171 C172 N223 S224	I71-Y244 HydrophobicContact CD1-CD2 3.58Å; I71-Y244 HydrophobicContact CD1-CE2 3.64Å; I71-Y244 HydrophobicContact CG1-CD2 4.21Å; I71-Y244 HydrophobicContact CG1-CE2 3.73Å; P72-Y244 VanDerWaalsContact O-CE2 3.29Å; P72-Y244 WeakPolarHBondContact O-CE2 3.45Å; D73-Y244 PolarHBondContact OD1-OH 3.35Å; P74-Y244 HydrophobicContact CG-CD1 4.01Å; P74-Y244 HydrophobicContact CG-CD2 3.57Å; P74-Y244 HydrophobicContact CG-CE2 4.1Å; P74-Y244 HydrophobicContact CG-CG 3.51Å; M165-Y244 HydrophobicContact CG-CE1 4.39Å; M165-Y244 HydrophobicContact SD-CD1 3.73Å; M165-Y244 HydrophobicContact SD-CE1 3.49Å; M165-Y244 WeakPolarHBondContact SD-CE1 3.34Å; Y171-Y244 WeakPolarHBondContact O-CA 3.26Å; C172-Y244 HydrophobicContact CB-CD1 4.08Å; C172-Y244 HydrophobicContact CB-CE1 3.82Å; N223-Y244 WeakPolarHBondContact CB-OH 3.46Å; S224-Y244 PolarHBondContact N-OH 2.98Å; S224-Y244 PolarHBondContact OG-OH 2.69Å
245	V	92.4	Very high	93.3	Very high	46 Å²	46	42.5 Å²	42.5	28%	0.279	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	157	-175.1	-61.4	0	0	0	0	111.5	A169 Y171 H173 T218 S247	A169-V245 CarbonylContact C-O 3.57Å; A169-V245 WeakPolarHBondContact CA-O 3.49Å; Y171-V245 PolarHBondContact N-O 3.35Å; Y171-V245 PolarHBondContact O-N 3.09Å; H173-V245 HydrophobicContact CB-CG1 3.94Å; H173-V245 HydrophobicContact CB-CG2 3.91Å; T218-V245 HydrophobicContact CG2-CG2 3.97Å; V245-S247 VanDerWaalsContact CG2-O 3.31Å; V245-S247 WeakPolarHBondContact CG2-O 3.45Å
246	S	88.1	Confident	93.4	Very high	88 Å²	88	34.8 Å²	34.8	62%	0.615	20%	0.202	S	C	*	.	S	Bend	trans	-83.7	-24.8	-176.3	56.6	0	0	0	0	113.8	S168	S168-S246 WeakPolarHBondContact O-CA 3.47Å; S168-S246 VanDerWaalsContact O-CB 3.31Å; S168-S246 WeakPolarHBondContact O-CB 3.34Å
247	S	89.3	Confident	93.6	Very high	68 Å²	68	35.2 Å²	35.2	48%	0.476	20%	0.202	S	C	.	.	S	Bend	trans	-125	152.2	-177.3	61.7	0	0	0	0	112.3	V245	V245-S247 VanDerWaalsContact CG2-O 3.31Å; V245-S247 WeakPolarHBondContact CG2-O 3.45Å
248	P	93.2	Very high	93.6	Very high	24 Å²	24	35.8 Å²	35.8	16%	0.156	21%	0.205	C	C	.	.			trans	-71.9	168.4	171.1	32.9	-33.3	0	0	0	110.9	Y171 F250	Y171-P248 HydrophobicContact CD1-CB 4.07Å; Y171-P248 HydrophobicContact CE1-CB 3.65Å; Y171-P248 HydrophobicContact CE1-CG 4.16Å; P248-F250 HydrophobicContact CG-CE1 4.37Å; P248-F250 HydrophobicContact CG-CE2 4.07Å; P248-F250 HydrophobicContact CG-CZ 3.81Å
249	L	92.5	Very high	93.5	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	20%	0.196	C	C	.	.			trans	-78.2	151.6	161.6	-65.9	167.6	0	0	0	110.5	S202 F216 T218 D253	S202-L249 WeakPolarHBondContact CB-O 3.36Å; F216-L249 VanDerWaalsContact C-CD1 3.49Å; F216-L249 HydrophobicContact CB-CD1 3.74Å; F216-L249 WeakPolarHBondContact O-CD1 3.4Å; T218-L249 HydrophobicContact CG2-CD1 4.03Å; T218-L249 HydrophobicContact CG2-CG 3.75Å; T218-L249 PolarHBondContact OG1-N 2.92Å; L249-D253 WeakPolarHBondContact CA-OD2 3.45Å; L249-D253 HydrophobicContact CD2-CB 4.45Å
250	F	89.2	Confident	93.5	Very high	49 Å²	49	34 Å²	34	22%	0.215	20%	0.2	C	C	.	.			trans	-120.1	154.4	169.9	-62.5	-84.2	0	0	0	111.1	A204 P248 G252 D253 N452 L454	A204-F250 WeakPolarHBondContact CA-O 3.31Å; P248-F250 HydrophobicContact CG-CE1 4.37Å; P248-F250 HydrophobicContact CG-CE2 4.07Å; P248-F250 HydrophobicContact CG-CZ 3.81Å; F250-G252 PolarHBondContact O-N 3.24Å; F250-D253 PolarHBondContact N-OD2 2.96Å; F250-D253 WeakPolarHBondContact O-CB 3.4Å; F250-D253 VanDerWaalsContact O-CG 3.23Å; F250-D253 PolarHBondContact O-N 2.98Å; F250-D253 VanDerWaalsContact O-N 3.09Å; F250-N452 WeakPolarHBondContact CA-O 3.41Å; F250-N452 WeakPolarHBondContact CB-O 3.05Å; F250-N452 WeakPolarHBondContact CD1-O 3.33Å; F250-L454 HydrophobicContact CB-CD1 3.48Å; F250-L454 VanDerWaalsContact CB-CD1 3.48Å; F250-L454 HydrophobicContact CD1-CD1 4.17Å; F250-L454 HydrophobicContact CD2-CD1 3.78Å; F250-L454 HydrophobicContact CG-CD1 3.55Å
251	L	84.7	Confident	93.4	Very high	67 Å²	67	34 Å²	34	35%	0.351	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	128.2	173.8	-70.9	172.6	0	0	0	109.6	F203 A204 N452	F203-L251 HydrophobicContact CD2-CD2 3.96Å; F203-L251 HydrophobicContact CE2-CD2 3.75Å; A204-L251 CarbonylContact O-C 3.54Å; A204-L251 WeakPolarHBondContact O-CA 3.48Å; L251-N452 HydrophobicContact CG-CB 4.24Å; L251-N452 PolarHBondContact N-O 3.24Å
252	G	86.1	Confident	93.3	Very high	27 Å²	27	31.9 Å²	31.9	28%	0.278	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	98	-7	-175.6	0	0	0	0	0	115.2	A204 F250 L254 K598	A204-G252 PolarHBondContact O-N 2.75Å; F250-G252 PolarHBondContact O-N 3.24Å; G252-L254 PolarHBondContact O-N 3.11Å; G252-L254 VanDerWaalsContact O-N 3.14Å; G252-K598 PolarHBondContact O-NZ 2.6Å
253	D	89.7	Confident	93.1	Very high	42 Å²	42	31.1 Å²	31.1	23%	0.225	19%	0.185	C	C	.	.			trans	-66.6	-10.3	-179.9	-83.2	1.7	0	0	0	114.8	R58 A204 L249 F250	R58-D253 PolarHBondContact NE-O 2.68Å; R58-D253 IonicContact NH2-OD2 2.79Å; A204-D253 HydrophobicContact CB-CB 3.75Å; L249-D253 WeakPolarHBondContact CA-OD2 3.45Å; L249-D253 HydrophobicContact CD2-CB 4.45Å; F250-D253 PolarHBondContact N-OD2 2.96Å; F250-D253 WeakPolarHBondContact O-CB 3.4Å; F250-D253 VanDerWaalsContact O-CG 3.23Å; F250-D253 PolarHBondContact O-N 2.98Å; F250-D253 VanDerWaalsContact O-N 3.09Å
254	L	92.6	Very high	93.1	Very high	11 Å²	11	29.1 Å²	29.1	6%	0.058	17%	0.171	C	C	.	.			trans	-81.4	147.7	175.2	75.2	162	0	0	0	111.1	E56 A204 G252	E56-L254 HydrophobicContact CG-CB 3.56Å; E56-L254 HydrophobicContact CG-CD1 3.81Å; E56-L254 HydrophobicContact CG-CG 4.33Å; A204-L254 HydrophobicContact CB-CB 4Å; A204-L254 HydrophobicContact CB-CD2 4.08Å; A204-L254 WeakPolarHBondContact O-CD2 3.4Å; G252-L254 PolarHBondContact O-N 3.11Å; G252-L254 VanDerWaalsContact O-N 3.14Å
255	D	94.4	Very high	93	Very high	78 Å²	78	29.3 Å²	29.3	42%	0.417	18%	0.178	S	C	.	.			trans	-84.9	-29.8	172.2	-65.4	-26.1	0	0	0	111.1	F57 R58 G59 P597 K598	F57-D255 HydrophobicContact CD2-CB 4.04Å; F57-D255 HydrophobicContact CE2-CB 3.66Å; F57-D255 HydrophobicContact CZ-CB 4.44Å; F57-D255 PolarHBondContact O-N 3.38Å; F57-D255 VanDerWaalsContact O-N 3.07Å; R58-D255 WeakPolarHBondContact CA-OD2 3Å; G59-D255 PolarHBondContact N-OD2 2.9Å; D255-P597 CarbonylContact O-C 3.56Å; D255-P597 WeakPolarHBondContact O-CA 3.19Å; D255-K598 PolarHBondContact O-N 3.14Å
256	G	96.3	Very high	92.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-164.8	178.9	0	0	0	0	0	113.7	F57 L596	F57-G256 VanDerWaalsContact CD1-C 3.42Å; F57-G256 WeakPolarHBondContact CD1-O 3.25Å; F57-G256 PolarHBondContact N-O 3.46Å; G256-L596 CarbonylContact C-O 3.52Å; G256-L596 VanDerWaalsContact CA-O 3.24Å; G256-L596 WeakPolarHBondContact CA-O 3.49Å
257	N	98	Very high	92.9	Very high	21 Å²	21	26.8 Å²	26.8	11%	0.112	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	137.7	178.9	-52.9	-86.1	0	0	0	110.5	V54 R55 F57 K207 F259 N595 L596	V54-N257 HydrophobicContact CG1-CB 3.79Å; R55-N257 CarbonylContact O-C 3.56Å; R55-N257 VanDerWaalsContact O-CA 3.32Å; R55-N257 WeakPolarHBondContact O-CA 3.29Å; F57-N257 VanDerWaalsContact CE1-N 3.32Å; K207-N257 VanDerWaalsContact CE-OD1 3.26Å; K207-N257 WeakPolarHBondContact CE-OD1 3.45Å; K207-N257 PolarHBondContact NZ-OD1 2.85Å; N257-F259 HydrophobicContact CB-CD2 4.38Å; N257-F259 HydrophobicContact CB-CE1 4.46Å; N257-F259 HydrophobicContact CB-CE2 3.65Å; N257-F259 HydrophobicContact CB-CZ 3.7Å; N257-F259 WeakPolarHBondContact O-CD2 3.39Å; N257-F259 WeakPolarHBondContact O-CE2 3.33Å; N257-N595 WeakPolarHBondContact O-CA 3.46Å; N257-L596 PolarHBondContact N-O 3.3Å; N257-L596 PolarHBondContact O-N 3.43Å
258	Q	98.2	Very high	93	Very high	13 Å²	13	24.3 Å²	24.3	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.4	161.8	175.4	172.1	89.1	0	0	109	V54 R55 Y62 T593 F594 N595	V54-Q258 CarbonylContact C-O 3.58Å; V54-Q258 WeakPolarHBondContact CA-O 3.32Å; R55-Q258 HydrophobicContact CB-CB 4.34Å; R55-Q258 PolarHBondContact N-O 2.81Å; R55-Q258 PolarHBondContact O-N 3.49Å; Y62-Q258 HydrophobicContact CD1-CB 4.06Å; Y62-Q258 HydrophobicContact CE1-CB 3.9Å; Y62-Q258 HydrophobicContact CE1-CG 4.47Å; Q258-T593 HydrophobicContact CG-CG2 4.22Å; Q258-F594 CarbonylContact C-O 3.57Å; Q258-F594 WeakPolarHBondContact CA-O 3.34Å; Q258-N595 WeakPolarHBondContact CB-OD1 3.48Å; Q258-N595 WeakPolarHBondContact CG-OD1 3.48Å; Q258-N595 PolarHBondContact NE2-OD1 3.04Å
259	F	97.8	Very high	93.1	Very high	14 Å²	14	26.7 Å²	26.7	6%	0.061	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.4	175.6	-62.8	-87.4	0	0	0	109	F52 I53 V54 N257 V261 T593 F594 L596 A602	F52-F259 HydrophobicContact CE1-CD1 4.08Å; F52-F259 HydrophobicContact CE1-CE1 4.19Å; F52-F259 HydrophobicContact CE2-CD1 4.47Å; F52-F259 AromaticContact CZ-CD1 3.72Å; F52-F259 HydrophobicContact CZ-CD1 3.72Å; F52-F259 AromaticContact CZ-CE1 3.95Å; F52-F259 HydrophobicContact CZ-CE1 3.95Å; I53-F259 WeakPolarHBondContact O-CA 3.03Å; V54-F259 HydrophobicContact CB-CE1 4.48Å; V54-F259 HydrophobicContact CG1-CD1 4.2Å; V54-F259 HydrophobicContact CG1-CE1 3.82Å; V54-F259 HydrophobicContact CG1-CZ 4.32Å; V54-F259 HydrophobicContact CG2-CD1 3.9Å; V54-F259 HydrophobicContact CG2-CE1 3.89Å; N257-F259 HydrophobicContact CB-CD2 4.38Å; N257-F259 HydrophobicContact CB-CE1 4.46Å; N257-F259 HydrophobicContact CB-CE2 3.65Å; N257-F259 HydrophobicContact CB-CZ 3.7Å; N257-F259 WeakPolarHBondContact O-CD2 3.39Å; N257-F259 WeakPolarHBondContact O-CE2 3.33Å; F259-V261 HydrophobicContact CB-CG2 4Å; F259-T593 CarbonylContact O-C 3.55Å; F259-T593 VanDerWaalsContact O-CA 3.25Å; F259-T593 WeakPolarHBondContact O-CA 3.5Å; F259-F594 HydrophobicContact CB-CD1 4.49Å; F259-F594 HydrophobicContact CB-CD2 4.26Å; F259-F594 HydrophobicContact CB-CE1 4.06Å; F259-F594 HydrophobicContact CB-CE2 3.8Å; F259-F594 HydrophobicContact CB-CZ 3.7Å; F259-F594 HydrophobicContact CD2-CD2 4.2Å; F259-F594 AromaticContact CD2-CE2 3.77Å; F259-F594 HydrophobicContact CD2-CE2 3.77Å; F259-F594 HydrophobicContact CD2-CZ 4.44Å; F259-F594 AromaticContact CG-CE2 3.99Å; F259-F594 HydrophobicContact CG-CE2 3.99Å; F259-F594 HydrophobicContact CG-CZ 4.21Å; F259-F594 PolarHBondContact N-O 3.06Å; F259-F594 PolarHBondContact O-N 3.46Å; F259-L596 HydrophobicContact CD2-CB 4.45Å; F259-L596 HydrophobicContact CD2-CD1 4.17Å; F259-L596 HydrophobicContact CD2-CG 4.13Å; F259-L596 HydrophobicContact CE2-CB 3.98Å; F259-L596 HydrophobicContact CE2-CD1 3.86Å; F259-L596 HydrophobicContact CE2-CG 4.02Å; F259-A602 HydrophobicContact CD1-CB 3.58Å; F259-A602 HydrophobicContact CD2-CB 4.09Å; F259-A602 HydrophobicContact CE1-CB 3.58Å; F259-A602 HydrophobicContact CE2-CB 4.09Å; F259-A602 HydrophobicContact CG-CB 3.84Å; F259-A602 HydrophobicContact CZ-CB 3.84Å
260	V	97.5	Very high	93.2	Very high	13 Å²	13	30.5 Å²	30.5	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	114.9	159.6	-173.2	0	0	0	0	106.7	I53 V550 V591 L592 T593	I53-V260 HydrophobicContact CB-CB 4.1Å; I53-V260 PolarHBondContact N-O 3.02Å; I53-V260 PolarHBondContact O-N 2.82Å; V260-V550 HydrophobicContact CG1-CG1 3.91Å; V260-V591 HydrophobicContact CG1-CG1 3.78Å; V260-L592 CarbonylContact C-O 3.59Å; V260-L592 VanDerWaalsContact CA-O 3.27Å; V260-L592 WeakPolarHBondContact CA-O 3.31Å; V260-T593 HydrophobicContact CG2-CG2 4.09Å
261	V	96	Very high	93.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.8	-171.5	-176.1	0	0	0	0	109.8	L45 D51 F52 F259 L263 V591 L592 F594 I606	L45-V261 HydrophobicContact CD1-CG1 3.31Å; D51-V261 WeakPolarHBondContact O-CA 3.46Å; F52-V261 HydrophobicContact CD2-CB 4.4Å; F52-V261 HydrophobicContact CD2-CG1 4.01Å; F52-V261 HydrophobicContact CD2-CG2 3.69Å; F52-V261 HydrophobicContact CE2-CG1 4.35Å; F52-V261 HydrophobicContact CE2-CG2 3.59Å; F259-V261 HydrophobicContact CB-CG2 4Å; V261-L263 HydrophobicContact CG1-CD2 4.12Å; V261-V591 WeakPolarHBondContact O-CA 3.32Å; V261-L592 PolarHBondContact N-O 3.14Å; V261-L592 PolarHBondContact O-N 2.84Å; V261-F594 HydrophobicContact CG2-CE1 4.18Å; V261-F594 HydrophobicContact CG2-CZ 4.28Å; V261-I606 HydrophobicContact CB-CD1 4.28Å; V261-I606 HydrophobicContact CG1-CD1 3.77Å; V261-I606 HydrophobicContact CG2-CD1 4.19Å
262	V	95.8	Very high	94	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	116.7	172.5	-167.9	0	0	0	0	109.6	D51 R264 L549 V550 A589 V591	D51-V262 HydrophobicContact CB-CB 3.79Å; D51-V262 HydrophobicContact CB-CG2 3.93Å; D51-V262 PolarHBondContact O-N 3.23Å; V262-R264 HydrophobicContact CG1-CG 3.94Å; V262-L549 HydrophobicContact CG1-CB 4.14Å; V262-L549 HydrophobicContact CG1-CD1 3.85Å; V262-L549 HydrophobicContact CG1-CG 4.49Å; V262-L549 HydrophobicContact CG2-CB 4.48Å; V262-V550 HydrophobicContact CG2-CB 4.29Å; V262-V550 HydrophobicContact CG2-CG1 3.59Å; V262-V550 HydrophobicContact CG2-CG2 3.72Å; V262-A589 HydrophobicContact CG1-CB 4.19Å; V262-V591 HydrophobicContact CG1-CG2 4.26Å; V262-V591 HydrophobicContact CG2-CG2 4.18Å
263	L	94.5	Very high	94.5	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	113.6	167.9	-58.5	-174.3	0	0	0	107.8	F41 A43 L45 V261 V266 A589 V590 L592 I606 T610	F41-L263 HydrophobicContact CE2-CD1 3.77Å; F41-L263 HydrophobicContact CZ-CD1 3.95Å; A43-L263 HydrophobicContact CB-CB 3.89Å; L45-L263 HydrophobicContact CD1-CD2 3.91Å; V261-L263 HydrophobicContact CG1-CD2 4.12Å; L263-V266 HydrophobicContact CB-CG2 4.16Å; L263-V266 WeakPolarHBondContact O-CG2 3.47Å; L263-A589 CarbonylContact O-C 3.54Å; L263-A589 WeakPolarHBondContact O-CA 3.47Å; L263-A589 WeakPolarHBondContact O-CB 3.43Å; L263-V590 HydrophobicContact CB-CB 4.43Å; L263-V590 PolarHBondContact N-O 2.9Å; L263-V590 PolarHBondContact O-N 3.03Å; L263-L592 HydrophobicContact CD1-CD1 3.61Å; L263-L592 HydrophobicContact CD1-CG 4.36Å; L263-L592 HydrophobicContact CG-CD1 4.2Å; L263-I606 HydrophobicContact CD1-CG2 4.43Å; L263-I606 HydrophobicContact CD2-CG2 3.95Å; L263-T610 HydrophobicContact CD1-CG2 4.46Å
264	R	93.8	Very high	94.9	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	162.2	-176.6	-74.7	-168.1	-172.1	-97.5	-1.9	112	T44 D51 V262 V266 Y542 I547	T44-R264 PolarHBondContact N-O 3.2Å; T44-R264 PolarHBondContact O-N 2.94Å; D51-R264 IonicContact OD1-CZ 3.13Å; D51-R264 IonicContact OD1-NE 2.89Å; D51-R264 IonicContact OD1-NH2 2.63Å; D51-R264 PolarHBondContact OD1-NH2 2.73Å; D51-R264 IonicContact OD2-CZ 3.84Å; D51-R264 IonicContact OD2-NE 2.94Å; D51-R264 PolarHBondContact OD2-NE 2.85Å; D51-R264 IonicContact OD2-NH2 3.87Å; D51-R264 PolarHBondContact OD2-NH2 2.8Å; V262-R264 HydrophobicContact CG1-CG 3.94Å; R264-V266 PolarHBondContact O-N 2.73Å; R264-Y542 WeakPolarHBondContact CB-OH 3.48Å; R264-Y542 HydrophobicContact CG-CE1 4.43Å; R264-I547 PolarHBondContact NH1-O 3.19Å; R264-I547 PolarHBondContact NH2-O 3.44Å
265	S	91.9	Very high	95.1	Very high	45 Å²	45	33 Å²	33	32%	0.315	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52	45.1	178.2	-48.8	0	0	0	0	111.2	C267 Y542 Q588	S265-C267 PolarHBondContact O-N 3.27Å; S265-Y542 PolarHBondContact N-OH 3.48Å; S265-Y542 PolarHBondContact OG-OH 3.24Å; S265-Q588 PolarHBondContact N-O 3.2Å; S265-Q588 VanDerWaalsContact N-O 3.15Å
266	V	92.1	Very high	95.2	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	124.3	-178.9	179.9	0	0	0	0	108.4	F41 E42 A43 L263 R264 I273 Q588 V590	F41-V266 HydrophobicContact CD2-CG1 3.83Å; F41-V266 HydrophobicContact CE2-CG1 4.32Å; E42-V266 WeakPolarHBondContact O-CA 3.22Å; A43-V266 HydrophobicContact CB-CG2 3.98Å; L263-V266 HydrophobicContact CB-CG2 4.16Å; L263-V266 WeakPolarHBondContact O-CG2 3.47Å; R264-V266 PolarHBondContact O-N 2.73Å; V266-I273 HydrophobicContact CG1-CD1 3.48Å; V266-I273 VanDerWaalsContact CG1-CD1 3.48Å; V266-I273 HydrophobicContact CG1-CG1 4.24Å; V266-Q588 HydrophobicContact CB-CB 4.49Å; V266-Q588 PolarHBondContact N-O 3Å; V266-V590 HydrophobicContact CG1-CG2 4.35Å; V266-V590 HydrophobicContact CG2-CB 4.41Å; V266-V590 HydrophobicContact CG2-CG2 4.02Å
267	C	88	Confident	95.3	Very high	77 Å²	77	29.6 Å²	29.6	52%	0.52	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	74.9	-178	-166.7	0	0	0	0	109.6	E42 S265	E42-C267 PolarHBondContact O-N 2.59Å; S265-C267 PolarHBondContact O-N 3.27Å
268	A	91.6	Very high	95.2	Very high	17 Å²	17	30.4 Å²	30.4	14%	0.14	19%	0.186	C	C	.	.	S	Bend	trans	-162.7	152.7	174.8	0	0	0	0	0	110.9	F41 V272 I273	F41-A268 HydrophobicContact CB-CB 3.45Å; F41-A268 VanDerWaalsContact CB-CB 3.45Å; A268-V272 HydrophobicContact CB-CB 4.42Å; A268-V272 HydrophobicContact CB-CG1 4.47Å; A268-I273 HydrophobicContact CB-CD1 4.42Å; A268-I273 HydrophobicContact CB-CG1 4.24Å
269	P	93.4	Very high	95.1	Very high	73 Å²	73	31.4 Å²	31.4	47%	0.474	19%	0.193	S	C	.	.			trans	-57.6	146.1	169.5	-22.7	33.5	0	0	0	111.9	S271 V272 I273	P269-S271 PolarHBondContact O-N 3.25Å; P269-V272 HydrophobicContact CB-CG2 4.3Å; P269-V272 HydrophobicContact CG-CG2 4.28Å; P269-V272 WeakPolarHBondContact O-CB 3.48Å; P269-V272 PolarHBondContact O-N 3.49Å; P269-I273 PolarHBondContact O-N 3.13Å
270	R	94.8	Very high	95.1	Very high	86 Å²	86	31 Å²	31	33%	0.325	19%	0.191	S	C	.	.	H	α-helix	trans	-54.2	-39	178.1	-69.7	-169.1	-178	165.9	8.2	112.8	V272 I273 E274 F539	R270-V272 VanDerWaalsContact C-N 3.29Å; R270-V272 PolarHBondContact O-N 3.36Å; R270-I273 PolarHBondContact O-N 3.27Å; R270-I273 VanDerWaalsContact O-N 3.15Å; R270-E274 WeakPolarHBondContact O-CB 3.47Å; R270-E274 VanDerWaalsContact O-CG 3.27Å; R270-E274 WeakPolarHBondContact O-CG 3.47Å; R270-E274 PolarHBondContact O-N 2.65Å; R270-F539 HydrophobicContact CB-CE1 4.34Å; R270-F539 HydrophobicContact CB-CE2 4.47Å; R270-F539 HydrophobicContact CB-CZ 3.98Å; R270-F539 HydrophobicContact CG-CD1 4.25Å; R270-F539 HydrophobicContact CG-CE1 3.88Å; R270-F539 HydrophobicContact CG-CE2 4.3Å; R270-F539 HydrophobicContact CG-CZ 3.9Å
271	S	96.2	Very high	95.1	Very high	58 Å²	58	35.9 Å²	35.9	41%	0.406	21%	0.211	S	C	.	.	H	α-helix	trans	-59	-36.6	178.5	53.1	0	0	0	0	113.5	P269 T275	P269-S271 PolarHBondContact O-N 3.25Å; S271-T275 VanDerWaalsContact O-CB 3.32Å; S271-T275 WeakPolarHBondContact O-CB 3.47Å; S271-T275 PolarHBondContact O-N 3.01Å; S271-T275 PolarHBondContact O-OG1 2.79Å
272	V	95.8	Very high	95	Very high	23 Å²	23	39.7 Å²	39.7	14%	0.139	24%	0.238	C	C	.	.	H	α-helix	trans	-66.7	-46.5	175.7	176.6	0	0	0	0	109.9	E39 A268 P269 R270 T275 A276	E39-V272 HydrophobicContact CB-CG1 4.28Å; E39-V272 HydrophobicContact CG-CG1 4.05Å; A268-V272 HydrophobicContact CB-CB 4.42Å; A268-V272 HydrophobicContact CB-CG1 4.47Å; P269-V272 HydrophobicContact CB-CG2 4.3Å; P269-V272 HydrophobicContact CG-CG2 4.28Å; P269-V272 WeakPolarHBondContact O-CB 3.48Å; P269-V272 PolarHBondContact O-N 3.49Å; R270-V272 VanDerWaalsContact C-N 3.29Å; R270-V272 PolarHBondContact O-N 3.36Å; V272-T275 PolarHBondContact O-N 2.9Å; V272-A276 WeakPolarHBondContact O-CB 3.39Å; V272-A276 PolarHBondContact O-N 2.79Å
273	I	95.9	Very high	95.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.9	-45.9	179.3	-60.7	161.6	0	0	0	110.6	F41 V266 A268 P269 R270 A276 V277 F539 V590	F41-I273 HydrophobicContact CB-CG1 4.4Å; F41-I273 HydrophobicContact CD1-CB 4.44Å; F41-I273 HydrophobicContact CD1-CG1 3.94Å; F41-I273 HydrophobicContact CD2-CG1 4.36Å; F41-I273 HydrophobicContact CE1-CB 4.43Å; F41-I273 HydrophobicContact CE1-CG1 4.28Å; F41-I273 HydrophobicContact CE1-CG2 4.16Å; F41-I273 HydrophobicContact CG-CG1 3.98Å; F41-I273 HydrophobicContact CZ-CG2 4.28Å; V266-I273 HydrophobicContact CG1-CD1 3.48Å; V266-I273 VanDerWaalsContact CG1-CD1 3.48Å; V266-I273 HydrophobicContact CG1-CG1 4.24Å; A268-I273 HydrophobicContact CB-CD1 4.42Å; A268-I273 HydrophobicContact CB-CG1 4.24Å; P269-I273 PolarHBondContact O-N 3.13Å; R270-I273 PolarHBondContact O-N 3.27Å; R270-I273 VanDerWaalsContact O-N 3.15Å; I273-A276 PolarHBondContact O-N 3.07Å; I273-V277 HydrophobicContact CG2-CG2 4.36Å; I273-V277 WeakPolarHBondContact O-CB 3.29Å; I273-V277 VanDerWaalsContact O-CG2 3.29Å; I273-V277 WeakPolarHBondContact O-CG2 3.27Å; I273-V277 PolarHBondContact O-N 2.75Å; I273-F539 HydrophobicContact CB-CE1 4.23Å; I273-F539 HydrophobicContact CB-CZ 4.28Å; I273-F539 HydrophobicContact CD1-CE1 3.78Å; I273-F539 HydrophobicContact CG2-CE1 3.97Å; I273-F539 HydrophobicContact CG2-CZ 4.07Å; I273-V590 HydrophobicContact CD1-CG2 4.11Å; I273-V590 HydrophobicContact CG2-CG1 4.41Å; I273-V590 HydrophobicContact CG2-CG2 3.97Å
274	E	97.8	Very high	95.2	Very high	84 Å²	84	40.3 Å²	40.3	39%	0.393	24%	0.242	S	C	.	.	H	α-helix	trans	-62.9	-42.2	178.6	-70.6	177.8	159.7	0	0	111.8	R270 G278 Y537 F539	R270-E274 WeakPolarHBondContact O-CB 3.47Å; R270-E274 VanDerWaalsContact O-CG 3.27Å; R270-E274 WeakPolarHBondContact O-CG 3.47Å; R270-E274 PolarHBondContact O-N 2.65Å; E274-G278 PolarHBondContact O-N 2.84Å; E274-Y537 HydrophobicContact CG-CE2 3.93Å; E274-F539 HydrophobicContact CG-CE2 4.31Å; E274-F539 HydrophobicContact CG-CZ 4.16Å
275	T	97.4	Very high	95.4	Very high	84 Å²	84	40.3 Å²	40.3	52%	0.515	24%	0.242	S	C	.	.	H	α-helix	trans	-64.5	-45	175.7	-59.1	0	0	0	0	111.4	S271 V272 G278 T279	S271-T275 VanDerWaalsContact O-CB 3.32Å; S271-T275 WeakPolarHBondContact O-CB 3.47Å; S271-T275 PolarHBondContact O-N 3.01Å; S271-T275 PolarHBondContact O-OG1 2.79Å; V272-T275 PolarHBondContact O-N 2.9Å; T275-G278 PolarHBondContact O-N 3.23Å; T275-T279 WeakPolarHBondContact O-CB 3.25Å; T275-T279 PolarHBondContact O-N 3.06Å; T275-T279 PolarHBondContact O-OG1 2.81Å
276	A	96.5	Very high	95.6	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.033	23%	0.228	C	C	.	.	H	α-helix	trans	-61.7	-49	177.6	0	0	0	0	0	111.4	V38 F41 V272 I273 T279 W280 L609	V38-A276 HydrophobicContact CG1-CB 4.35Å; F41-A276 HydrophobicContact CD1-CB 4.26Å; F41-A276 HydrophobicContact CE1-CB 4.11Å; V272-A276 WeakPolarHBondContact O-CB 3.39Å; V272-A276 PolarHBondContact O-N 2.79Å; I273-A276 PolarHBondContact O-N 3.07Å; A276-T279 PolarHBondContact O-N 3.01Å; A276-W280 WeakPolarHBondContact O-CB 3.43Å; A276-W280 PolarHBondContact O-N 2.87Å; A276-L609 HydrophobicContact CB-CD2 4.22Å; A276-L609 WeakPolarHBondContact O-CD2 3.48Å
277	V	97.6	Very high	95.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-42	178.7	174.8	0	0	0	0	111.6	I273 W280 K281 V535 Y537 L592 L609	I273-V277 HydrophobicContact CG2-CG2 4.36Å; I273-V277 WeakPolarHBondContact O-CB 3.29Å; I273-V277 VanDerWaalsContact O-CG2 3.29Å; I273-V277 WeakPolarHBondContact O-CG2 3.27Å; I273-V277 PolarHBondContact O-N 2.75Å; V277-W280 PolarHBondContact O-N 2.87Å; V277-K281 VanDerWaalsContact O-CB 3.24Å; V277-K281 WeakPolarHBondContact O-CB 3.34Å; V277-K281 PolarHBondContact O-N 2.98Å; V277-V535 HydrophobicContact CG1-CG1 3.92Å; V277-Y537 HydrophobicContact CB-CD1 4.43Å; V277-Y537 HydrophobicContact CG1-CD1 3.6Å; V277-Y537 HydrophobicContact CG1-CE1 4.02Å; V277-Y537 HydrophobicContact CG1-CG 4.24Å; V277-L592 HydrophobicContact CG2-CD2 4.08Å; V277-L609 HydrophobicContact CB-CD2 4.47Å; V277-L609 HydrophobicContact CG2-CD1 4.43Å; V277-L609 HydrophobicContact CG2-CD2 4Å
278	G	97.5	Very high	96.4	Very high	39 Å²	39	34.9 Å²	34.9	40%	0.402	20%	0.204	S	C	.	.	H	α-helix	trans	-61.6	-44.2	177.3	0	0	0	0	0	112.5	E274 T275 S282	E274-G278 PolarHBondContact O-N 2.84Å; T275-G278 PolarHBondContact O-N 3.23Å; G278-S282 PolarHBondContact O-N 3.14Å; G278-S282 PolarHBondContact O-OG 2.83Å
279	T	96	Very high	96.6	Very high	34 Å²	34	34 Å²	34	21%	0.209	20%	0.197	C	C	.	.	H	α-helix	trans	-69.1	-48.9	177.1	-48.8	0	0	0	0	110.9	Q35 V38 T275 A276 K281 S282 T283	Q35-T279 HydrophobicContact CB-CG2 4.41Å; Q35-T279 HydrophobicContact CG-CG2 3.71Å; V38-T279 HydrophobicContact CG2-CG2 4.08Å; T275-T279 WeakPolarHBondContact O-CB 3.25Å; T275-T279 PolarHBondContact O-N 3.06Å; T275-T279 PolarHBondContact O-OG1 2.81Å; A276-T279 PolarHBondContact O-N 3.01Å; T279-K281 VanDerWaalsContact C-N 3.27Å; T279-K281 PolarHBondContact O-N 3.2Å; T279-S282 PolarHBondContact O-N 2.83Å; T279-S282 PolarHBondContact O-OG 2.99Å; T279-T283 HydrophobicContact CG2-CG2 4.01Å; T279-T283 PolarHBondContact O-N 2.96Å; T279-T283 PolarHBondContact O-OG1 2.79Å; T279-T283 VanDerWaalsContact O-OG1 3.08Å
280	W	97	Very high	96.6	Very high	5 Å²	5	30.6 Å²	30.6	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-38.5	177.4	173	68.9	0	0	0	113.4	A276 V277 S282 G284 F285 P532 V535 F594 A605 L609	A276-W280 WeakPolarHBondContact O-CB 3.43Å; A276-W280 PolarHBondContact O-N 2.87Å; V277-W280 PolarHBondContact O-N 2.87Å; W280-S282 VanDerWaalsContact C-N 3.26Å; W280-S282 PolarHBondContact O-N 2.82Å; W280-G284 VanDerWaalsContact O-CA 3.28Å; W280-G284 WeakPolarHBondContact O-CA 3.49Å; W280-G284 PolarHBondContact O-N 3.41Å; W280-F285 AromaticContact NE1-CD1 3.68Å; W280-P532 HydrophobicContact CD2-CG 3.84Å; W280-P532 HydrophobicContact CE3-CG 4.04Å; W280-P532 HydrophobicContact CH2-CB 3.92Å; W280-P532 HydrophobicContact CH2-CG 3.89Å; W280-P532 HydrophobicContact CZ2-CB 3.83Å; W280-P532 HydrophobicContact CZ2-CG 3.66Å; W280-P532 HydrophobicContact CZ3-CB 4.45Å; W280-P532 HydrophobicContact CZ3-CG 4.08Å; W280-V535 HydrophobicContact CE3-CG1 4.21Å; W280-V535 HydrophobicContact CE3-CG2 4.46Å; W280-V535 HydrophobicContact CH2-CG2 4.46Å; W280-V535 HydrophobicContact CZ3-CG1 3.73Å; W280-V535 HydrophobicContact CZ3-CG2 3.95Å; W280-F594 HydrophobicContact CH2-CB 4Å; W280-F594 AromaticContact CH2-CD1 3.73Å; W280-F594 HydrophobicContact CH2-CD1 3.73Å; W280-F594 AromaticContact CH2-CD2 3.95Å; W280-F594 HydrophobicContact CH2-CD2 3.95Å; W280-F594 HydrophobicContact CH2-CE1 4.14Å; W280-F594 HydrophobicContact CH2-CE2 4.35Å; W280-F594 AromaticContact CH2-CG 3.62Å; W280-F594 HydrophobicContact CH2-CG 3.62Å; W280-F594 HydrophobicContact CH2-CZ 4.43Å; W280-F594 HydrophobicContact CZ2-CD2 4.35Å; W280-F594 HydrophobicContact CZ2-CG 4.45Å; W280-F594 HydrophobicContact CZ3-CD1 4.47Å; W280-F594 HydrophobicContact CZ3-CG 4.5Å; W280-A605 HydrophobicContact CZ2-CB 3.79Å; W280-A605 PolarHBondContact NE1-O 2.77Å; W280-A605 VanDerWaalsContact NE1-O 3.16Å; W280-L609 HydrophobicContact CB-CD2 3.4Å; W280-L609 VanDerWaalsContact CB-CD2 3.4Å; W280-L609 HydrophobicContact CB-CG 4.29Å; W280-L609 HydrophobicContact CD2-CD1 4.02Å; W280-L609 HydrophobicContact CD2-CD2 3.79Å; W280-L609 HydrophobicContact CD2-CG 3.94Å; W280-L609 HydrophobicContact CE3-CD1 3.9Å; W280-L609 HydrophobicContact CE3-CD2 3.93Å; W280-L609 HydrophobicContact CE3-CG 4.23Å; W280-L609 HydrophobicContact CG-CD2 3.61Å; W280-L609 HydrophobicContact CG-CG 3.99Å; W280-L609 HydrophobicContact CH2-CD1 4.4Å; W280-L609 HydrophobicContact CZ3-CD1 4.09Å
281	K	97.1	Very high	96.3	Very high	115 Å²	115	28.9 Å²	28.9	50%	0.5	17%	0.172	S	C	.	.	H	α-helix	trans	-60.9	-32.7	174.3	178.3	-179.7	177.8	178.1	0	113	V277 T279 V531 V535	V277-K281 VanDerWaalsContact O-CB 3.24Å; V277-K281 WeakPolarHBondContact O-CB 3.34Å; V277-K281 PolarHBondContact O-N 2.98Å; T279-K281 VanDerWaalsContact C-N 3.27Å; T279-K281 PolarHBondContact O-N 3.2Å; K281-V531 VanDerWaalsContact O-CG1 3.31Å; K281-V531 WeakPolarHBondContact O-CG1 3.35Å; K281-V535 HydrophobicContact CB-CB 4.35Å; K281-V535 HydrophobicContact CB-CG1 4.43Å; K281-V535 HydrophobicContact CB-CG2 4.3Å; K281-V535 HydrophobicContact CD-CB 4.07Å; K281-V535 HydrophobicContact CG-CB 4.03Å; K281-V535 HydrophobicContact CG-CG2 4.11Å
282	S	95.5	Very high	95.8	Very high	82 Å²	82	28.6 Å²	28.6	57%	0.573	17%	0.165	S	C	*	.	H	α-helix	trans	-93.6	-33.2	-177.1	56.6	0	0	0	0	113.3	G278 T279 W280	G278-S282 PolarHBondContact O-N 3.14Å; G278-S282 PolarHBondContact O-OG 2.83Å; T279-S282 PolarHBondContact O-N 2.83Å; T279-S282 PolarHBondContact O-OG 2.99Å; W280-S282 VanDerWaalsContact C-N 3.26Å; W280-S282 PolarHBondContact O-N 2.82Å
283	T	96	Very high	95.6	Very high	13 Å²	13	27.9 Å²	27.9	8%	0.08	16%	0.159	C	C	.	.	H	α-helix	trans	-108.6	-20.5	-172.1	68.2	0	0	0	0	113.8	Q35 T279 L410 I529	Q35-T283 HydrophobicContact CG-CG2 4.4Å; Q35-T283 WeakPolarHBondContact CG-OG1 3.2Å; T279-T283 HydrophobicContact CG2-CG2 4.01Å; T279-T283 PolarHBondContact O-N 2.96Å; T279-T283 PolarHBondContact O-OG1 2.79Å; T279-T283 VanDerWaalsContact O-OG1 3.08Å; T283-L410 HydrophobicContact CG2-CD1 3.75Å; T283-L410 HydrophobicContact CG2-CD2 4.33Å; T283-I529 WeakPolarHBondContact O-CG2 3.4Å
284	G	96.9	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.159	C	C	.	.			trans	75.8	-158	-179.3	0	0	0	0	0	114.1	W280 V530	W280-G284 VanDerWaalsContact O-CA 3.28Å; W280-G284 WeakPolarHBondContact O-CA 3.49Å; W280-G284 PolarHBondContact O-N 3.41Å; G284-V530 CarbonylContact C-O 3.53Å; G284-V530 WeakPolarHBondContact CA-O 3.49Å
285	F	97.5	Very high	94.8	Very high	1 Å²	1	24.1 Å²	24.1	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	159.4	-177.1	64	-79.5	0	0	0	110.6	V34 W280 N287 I529 V530 L596 M604 A605 E608	V34-F285 VanDerWaalsContact CG2-C 3.47Å; V34-F285 VanDerWaalsContact CG2-CA 3.49Å; W280-F285 AromaticContact NE1-CD1 3.68Å; F285-N287 PolarHBondContact O-N 3.46Å; F285-I529 WeakPolarHBondContact O-CA 3.31Å; F285-V530 WeakPolarHBondContact CD1-O 3.43Å; F285-V530 HydrophobicContact CE1-CB 3.83Å; F285-V530 HydrophobicContact CE1-CG1 3.69Å; F285-V530 WeakPolarHBondContact CE1-O 3.43Å; F285-V530 HydrophobicContact CE2-CB 4.41Å; F285-V530 HydrophobicContact CZ-CB 3.76Å; F285-V530 HydrophobicContact CZ-CG1 3.76Å; F285-V530 PolarHBondContact N-O 3.37Å; F285-V530 PolarHBondContact O-N 3.28Å; F285-L596 HydrophobicContact CE1-CD2 3.65Å; F285-L596 HydrophobicContact CZ-CD1 4.18Å; F285-L596 HydrophobicContact CZ-CD2 3.91Å; F285-M604 HydrophobicContact CD2-CB 4.16Å; F285-M604 HydrophobicContact CE2-CB 4.15Å; F285-A605 HydrophobicContact CD1-CB 3.68Å; F285-A605 HydrophobicContact CD2-CB 4.1Å; F285-A605 HydrophobicContact CE1-CB 3.44Å; F285-A605 VanDerWaalsContact CE1-CB 3.44Å; F285-A605 HydrophobicContact CE2-CB 3.89Å; F285-A605 HydrophobicContact CG-CB 4.02Å; F285-A605 HydrophobicContact CZ-CB 3.56Å; F285-E608 HydrophobicContact CB-CB 3.63Å; F285-E608 HydrophobicContact CB-CG 3.92Å
286	V	97.8	Very high	93.6	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.3	174.3	-173.5	0	0	0	0	109	V34 Y288 A398 M402 L528 I529	V34-V286 HydrophobicContact CG2-CG2 3.76Å; V286-Y288 HydrophobicContact CB-CD2 3.79Å; V286-Y288 HydrophobicContact CB-CE2 3.46Å; V286-Y288 VanDerWaalsContact CB-CE2 3.46Å; V286-Y288 HydrophobicContact CG1-CD1 4.09Å; V286-Y288 HydrophobicContact CG1-CD2 3.84Å; V286-Y288 HydrophobicContact CG1-CE1 3.78Å; V286-Y288 HydrophobicContact CG1-CE2 3.53Å; V286-Y288 HydrophobicContact CG1-CG 4.12Å; V286-Y288 VanDerWaalsContact CG1-CZ 3.5Å; V286-Y288 HydrophobicContact CG2-CE2 4.17Å; V286-Y288 PolarHBondContact O-N 3.28Å; V286-A398 HydrophobicContact CG1-CB 4.27Å; V286-M402 HydrophobicContact CG1-CG 4.49Å; V286-M402 HydrophobicContact CG2-CE 4.33Å; V286-M402 HydrophobicContact CG2-CG 3.92Å; V286-M402 HydrophobicContact CG2-SD 4.45Å; V286-L528 HydrophobicContact CG1-CD1 4.27Å; V286-I529 HydrophobicContact CB-CD1 4.31Å; V286-I529 HydrophobicContact CG2-CD1 3.92Å
287	N	97.7	Very high	92.7	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.032	14%	0.136	C	C	.	.			trans	-79.5	49.5	-171.2	-170.4	24.4	0	0	0	113.4	F285 W394 R526 K527 L528 V530	F285-N287 PolarHBondContact O-N 3.46Å; N287-W394 HydrophobicContact CB-CH2 4.37Å; N287-W394 WeakPolarHBondContact O-CH2 3.11Å; N287-W394 WeakPolarHBondContact O-CZ3 3.44Å; N287-R526 VanDerWaalsContact CG-NH2 3.32Å; N287-R526 PolarHBondContact ND2-NH2 2.88Å; N287-R526 PolarHBondContact O-NE 3.13Å; N287-R526 PolarHBondContact O-NH2 2.94Å; N287-R526 PolarHBondContact OD1-NH2 2.97Å; N287-K527 VanDerWaalsContact CB-O 3.28Å; N287-K527 WeakPolarHBondContact CB-O 3.43Å; N287-K527 PolarHBondContact ND2-O 2.75Å; N287-L528 PolarHBondContact N-O 3.39Å; N287-V530 HydrophobicContact CB-CB 4.38Å; N287-V530 HydrophobicContact CB-CG2 3.76Å; N287-V530 VanDerWaalsContact CG-CG2 3.42Å
288	Y	97.9	Very high	91.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.016	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-54.8	148.4	177	-66.6	-64	0	0	0	112.4	G29 I30 T32 V286 G290 W394 N395 A398 S399 Y601	G29-Y288 WeakPolarHBondContact O-CE1 3.42Å; I30-Y288 HydrophobicContact CB-CG 4.49Å; I30-Y288 HydrophobicContact CG1-CD1 4.26Å; I30-Y288 HydrophobicContact CG1-CG 4.08Å; I30-Y288 HydrophobicContact CG2-CD2 3.8Å; I30-Y288 HydrophobicContact CG2-CE2 4.08Å; I30-Y288 HydrophobicContact CG2-CG 4.17Å; T32-Y288 PolarHBondContact N-OH 3.37Å; T32-Y288 PolarHBondContact OG1-OH 2.85Å; V286-Y288 HydrophobicContact CB-CD2 3.79Å; V286-Y288 HydrophobicContact CB-CE2 3.46Å; V286-Y288 VanDerWaalsContact CB-CE2 3.46Å; V286-Y288 HydrophobicContact CG1-CD1 4.09Å; V286-Y288 HydrophobicContact CG1-CD2 3.84Å; V286-Y288 HydrophobicContact CG1-CE1 3.78Å; V286-Y288 HydrophobicContact CG1-CE2 3.53Å; V286-Y288 HydrophobicContact CG1-CG 4.12Å; V286-Y288 VanDerWaalsContact CG1-CZ 3.5Å; V286-Y288 HydrophobicContact CG2-CE2 4.17Å; V286-Y288 PolarHBondContact O-N 3.28Å; Y288-G290 PolarHBondContact O-N 3.44Å; Y288-W394 HydrophobicContact CD1-CZ3 4.28Å; Y288-N395 HydrophobicContact CD1-CB 4Å; Y288-N395 HydrophobicContact CE1-CB 4.49Å; Y288-N395 WeakPolarHBondContact CE1-O 3.45Å; Y288-A398 HydrophobicContact CD1-CB 4.45Å; Y288-A398 HydrophobicContact CE1-CB 4.02Å; Y288-S399 WeakPolarHBondContact CE1-OG 3.42Å; Y288-S399 PolarHBondContact OH-OG 2.82Å; Y288-Y601 WeakPolarHBondContact O-CD2 3.36Å
289	Y	96.7	Very high	91.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-68.4	126.2	158.6	-69.2	-78.7	0	0	0	109	I30 R293 S391 W394 N395 V482 Y601	I30-Y289 WeakPolarHBondContact CD1-O 3.23Å; Y289-R293 HydrophobicContact CD1-CG 4.16Å; Y289-R293 HydrophobicContact CG-CG 4.31Å; Y289-S391 VanDerWaalsContact CD2-CB 3.43Å; Y289-W394 HydrophobicContact CD2-CB 4.43Å; Y289-W394 HydrophobicContact CD2-CD2 4.49Å; Y289-W394 HydrophobicContact CD2-CE3 4.18Å; Y289-W394 HydrophobicContact CE2-CB 4.1Å; Y289-W394 HydrophobicContact CE2-CD2 4.21Å; Y289-W394 HydrophobicContact CE2-CE3 4.33Å; Y289-W394 HydrophobicContact CE2-CG 4.1Å; Y289-N395 PolarHBondContact N-OD1 3.14Å; Y289-N395 PolarHBondContact O-ND2 3.26Å; Y289-V482 WeakPolarHBondContact OH-CG2 3.47Å; Y289-Y601 AromaticContact CD1-CE2 3.92Å; Y289-Y601 HydrophobicContact CD1-CE2 3.92Å
290	G	92.6	Very high	90.7	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-71.3	164.7	179.3	0	0	0	0	0	113.5	Y288 Q292 R293	Y288-G290 PolarHBondContact O-N 3.44Å; G290-Q292 PolarHBondContact O-N 2.71Å; G290-Q292 VanDerWaalsContact O-N 3.1Å; G290-R293 WeakPolarHBondContact O-CB 3.41Å; G290-R293 PolarHBondContact O-N 2.63Å
291	L	90	Very high	90.4	Very high	50 Å²	50	28.7 Å²	28.7	26%	0.262	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-54.2	-32.9	-176.1	-72.5	177.7	0	0	0	114.5	L23 P25 V28 I30 R293 F294	L23-L291 HydrophobicContact CG-CD2 4.44Å; P25-L291 HydrophobicContact CG-CD1 4.19Å; V28-L291 HydrophobicContact CG2-CD2 3.72Å; I30-L291 HydrophobicContact CD1-CD2 4.44Å; L291-R293 PolarHBondContact O-N 2.89Å; L291-R293 VanDerWaalsContact O-N 3.12Å; L291-F294 PolarHBondContact O-N 2.86Å
292	Q	85.7	Confident	90.3	Very high	52 Å²	52	23.4 Å²	23.4	24%	0.243	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-55.3	-29.7	176.3	-176.9	176.3	-6.8	0	0	112.8	D208 G290 F294 G295 N435 F436	D208-Q292 PolarHBondContact OD1-NE2 3Å; D208-Q292 PolarHBondContact OD2-OE1 3.36Å; G290-Q292 PolarHBondContact O-N 2.71Å; G290-Q292 VanDerWaalsContact O-N 3.1Å; Q292-F294 PolarHBondContact O-N 2.84Å; Q292-G295 PolarHBondContact O-N 3.01Å; Q292-N435 PolarHBondContact NE2-OD1 3.1Å; Q292-F436 HydrophobicContact CG-CB 4.42Å; Q292-F436 PolarHBondContact NE2-O 3.43Å; Q292-F436 WeakPolarHBondContact O-CB 3.29Å
293	R	89.6	Confident	90.3	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.026	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-63	-21.3	177.1	-171.4	61.7	145.4	-154.8	-7	113.7	Y289 G290 L291 S388 S391 D432 I434	Y289-R293 HydrophobicContact CD1-CG 4.16Å; Y289-R293 HydrophobicContact CG-CG 4.31Å; G290-R293 WeakPolarHBondContact O-CB 3.41Å; G290-R293 PolarHBondContact O-N 2.63Å; L291-R293 PolarHBondContact O-N 2.89Å; L291-R293 VanDerWaalsContact O-N 3.12Å; R293-S388 WeakPolarHBondContact O-CB 3.4Å; R293-S388 PolarHBondContact O-OG 2.91Å; R293-S391 PolarHBondContact NE-OG 2.85Å; R293-D432 PolarHBondContact NH1-O 3.24Å; R293-D432 PolarHBondContact NH2-O 2.92Å; R293-I434 PolarHBondContact NH1-O 2.93Å
294	F	93	Very high	90.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-108	0.4	-170.9	-54.8	-67.3	0	0	0	113.2	L23 V28 L291 Q292 S302 F303 S388 F392 N395	L23-F294 HydrophobicContact CD2-CB 3.43Å; L23-F294 VanDerWaalsContact CD2-CB 3.43Å; L23-F294 HydrophobicContact CD2-CG 4.36Å; V28-F294 HydrophobicContact CB-CD2 3.82Å; V28-F294 HydrophobicContact CB-CE2 3.72Å; V28-F294 HydrophobicContact CB-CG 4.27Å; V28-F294 HydrophobicContact CB-CZ 4.09Å; V28-F294 HydrophobicContact CG1-CB 4.15Å; V28-F294 HydrophobicContact CG1-CD1 4.15Å; V28-F294 HydrophobicContact CG1-CD2 3.7Å; V28-F294 HydrophobicContact CG1-CE2 4.11Å; V28-F294 HydrophobicContact CG1-CG 3.72Å; V28-F294 HydrophobicContact CG1-CZ 4.5Å; V28-F294 HydrophobicContact CG2-CD2 3.86Å; V28-F294 HydrophobicContact CG2-CE2 3.8Å; L291-F294 PolarHBondContact O-N 2.86Å; Q292-F294 PolarHBondContact O-N 2.84Å; F294-S302 VanDerWaalsContact O-CB 3.27Å; F294-S302 WeakPolarHBondContact O-CB 3.32Å; F294-S302 PolarHBondContact O-N 3.33Å; F294-S302 PolarHBondContact O-OG 3.41Å; F294-F303 HydrophobicContact CB-CD1 4.16Å; F294-F303 HydrophobicContact CD1-CB 4.27Å; F294-F303 AromaticContact CD1-CD1 3.8Å; F294-F303 HydrophobicContact CD1-CD1 3.8Å; F294-F303 HydrophobicContact CD1-CG 4.42Å; F294-F303 HydrophobicContact CG-CD1 4.3Å; F294-S388 WeakPolarHBondContact CD1-OG 3.4Å; F294-S388 WeakPolarHBondContact CE1-O 3.34Å; F294-F392 HydrophobicContact CD1-CB 4.46Å; F294-F392 HydrophobicContact CE1-CB 3.82Å; F294-N395 WeakPolarHBondContact CZ-ND2 3.18Å
295	G	84.6	Confident	90.4	Very high	6 Å²	6	21.4 Å²	21.4	6%	0.062	11%	0.107	C	C	.	.			trans	84.5	-174.9	-175.7	0	0	0	0	0	113.1	Q292	Q292-G295 PolarHBondContact O-N 3.01Å
296	H	72.2	Confident	90.4	Very high	74 Å²	74	21.4 Å²	21.4	34%	0.343	11%	0.107	S	C	.	.	S	Bend	trans	-106.5	-13.6	-169.1	-66.9	-48.9	0	0	0	115.8	D438	H296-D438 IonicContact CD2-OD1 2.87Å; H296-D438 IonicContact CD2-OD2 3.37Å; H296-D438 IonicContact NE2-OD1 2.75Å; H296-D438 IonicContact NE2-OD2 2.65Å
297	S	76.9	Confident	90.4	Very high	7 Å²	7	22.7 Å²	22.7	5%	0.049	11%	0.112	C	C	.	.			trans	-102	139.4	179.9	174.8	0	0	0	0	111.9	D21 K299 S300 T325	D21-S297 PolarHBondContact OD1-OG 3.41Å; S297-K299 VanDerWaalsContact C-N 3.3Å; S297-K299 PolarHBondContact OG-N 3.15Å; S297-S300 PolarHBondContact OG-N 2.84Å; S297-S300 VanDerWaalsContact OG-N 3.16Å; S297-T325 VanDerWaalsContact OG-CG2 3.29Å; S297-T325 WeakPolarHBondContact OG-CG2 3.26Å
298	S	79.6	Confident	90.4	Very high	23 Å²	23	25.1 Å²	25.1	16%	0.161	12%	0.121	C	C	.	.	S	Bend	trans	-75.7	-22.6	170	71.1	0	0	0	0	111.9	D21 K301	D21-S298 WeakPolarHBondContact CA-OG 3.32Å; D21-S298 PolarHBondContact OD1-N 3.27Å; D21-S298 PolarHBondContact OD1-OG 3.44Å; S298-K301 WeakPolarHBondContact O-CD 3.42Å; S298-K301 WeakPolarHBondContact O-CE 3.16Å
299	K	83	Confident	90.4	Very high	94 Å²	94	25 Å²	25	41%	0.409	12%	0.121	S	C	.	.	S	Bend	trans	-87.4	-30.8	-179.6	-67.7	-179.1	-179.4	176.6	0	114.5	D21 S297 K323 T325	D21-K299 PolarHBondContact OD1-N 2.98Å; S297-K299 VanDerWaalsContact C-N 3.3Å; S297-K299 PolarHBondContact OG-N 3.15Å; K299-K323 PolarHBondContact O-NZ 3.24Å; K299-T325 HydrophobicContact CB-CG2 4.25Å
300	S	86.8	Confident	90.5	Very high	20 Å²	20	25.1 Å²	25.1	14%	0.14	12%	0.122	C	C	.	.	S	Bend	trans	-121.1	84.9	175.6	-170.9	0	0	0	0	110.2	S297 L320	S297-S300 PolarHBondContact OG-N 2.84Å; S297-S300 VanDerWaalsContact OG-N 3.16Å; S300-L320 PolarHBondContact OG-O 3.14Å
301	K	92.2	Very high	90.7	Very high	45 Å²	45	28.2 Å²	28.2	20%	0.196	13%	0.133	C	C	.	.			trans	-85.7	127.2	-175	-74	157.5	166.1	169.1	0	110.5	L23 E27 S298 F303 E304 I305	L23-K301 HydrophobicContact CD1-CD 4.29Å; L23-K301 VanDerWaalsContact CD1-CE 3.4Å; L23-K301 HydrophobicContact CD1-CG 4.13Å; E27-K301 VanDerWaalsContact OE2-CE 3.23Å; E27-K301 WeakPolarHBondContact OE2-CE 3.41Å; E27-K301 IonicContact OE2-NZ 2.76Å; E27-K301 PolarHBondContact OE2-NZ 2.6Å; S298-K301 WeakPolarHBondContact O-CD 3.42Å; S298-K301 WeakPolarHBondContact O-CE 3.16Å; K301-F303 VanDerWaalsContact C-N 3.28Å; K301-F303 HydrophobicContact CB-CD1 3.95Å; K301-F303 HydrophobicContact CB-CE1 3.62Å; K301-F303 HydrophobicContact CB-CZ 3.95Å; K301-F303 HydrophobicContact CD-CE1 3.93Å; K301-F303 HydrophobicContact CD-CE2 4.48Å; K301-F303 HydrophobicContact CD-CZ 3.64Å; K301-F303 HydrophobicContact CG-CE1 3.78Å; K301-F303 HydrophobicContact CG-CZ 4.02Å; K301-F303 PolarHBondContact O-N 3.41Å; K301-E304 HydrophobicContact CB-CB 4.1Å; K301-E304 HydrophobicContact CB-CG 3.88Å; K301-E304 HydrophobicContact CD-CG 4.31Å; K301-E304 WeakPolarHBondContact O-CB 3.38Å; K301-E304 PolarHBondContact O-N 3.34Å; K301-E304 VanDerWaalsContact O-N 3.07Å; K301-I305 PolarHBondContact O-N 3.47Å
302	S	93.8	Very high	91.1	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.028	14%	0.137	C	C	.	.	H	α-helix	trans	-61	-35.9	-176.6	-58.2	0	0	0	0	113.2	F294 E304 I305 G306 S388 F436	F294-S302 VanDerWaalsContact O-CB 3.27Å; F294-S302 WeakPolarHBondContact O-CB 3.32Å; F294-S302 PolarHBondContact O-N 3.33Å; F294-S302 PolarHBondContact O-OG 3.41Å; S302-E304 VanDerWaalsContact C-N 3.35Å; S302-I305 PolarHBondContact O-N 3.01Å; S302-G306 PolarHBondContact O-N 3.16Å; S302-S388 WeakPolarHBondContact CB-OG 3.49Å; S302-F436 VanDerWaalsContact OG-CE2 3.31Å; S302-F436 WeakPolarHBondContact OG-CE2 3.23Å
303	F	96	Very high	91.7	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.026	14%	0.141	C	C	.	.	H	α-helix	trans	-70.8	-28.8	178	65.7	-94.6	0	0	0	113.1	L23 V28 F294 K301 G306 K307 S388 Y389 F392	L23-F303 HydrophobicContact CD1-CE1 4.49Å; L23-F303 HydrophobicContact CD2-CE1 4.49Å; V28-F303 HydrophobicContact CG1-CD1 4.33Å; V28-F303 HydrophobicContact CG1-CE1 3.77Å; V28-F303 HydrophobicContact CG1-CZ 4.46Å; F294-F303 HydrophobicContact CB-CD1 4.16Å; F294-F303 HydrophobicContact CD1-CB 4.27Å; F294-F303 AromaticContact CD1-CD1 3.8Å; F294-F303 HydrophobicContact CD1-CD1 3.8Å; F294-F303 HydrophobicContact CD1-CG 4.42Å; F294-F303 HydrophobicContact CG-CD1 4.3Å; K301-F303 VanDerWaalsContact C-N 3.28Å; K301-F303 HydrophobicContact CB-CD1 3.95Å; K301-F303 HydrophobicContact CB-CE1 3.62Å; K301-F303 HydrophobicContact CB-CZ 3.95Å; K301-F303 HydrophobicContact CD-CE1 3.93Å; K301-F303 HydrophobicContact CD-CE2 4.48Å; K301-F303 HydrophobicContact CD-CZ 3.64Å; K301-F303 HydrophobicContact CG-CE1 3.78Å; K301-F303 HydrophobicContact CG-CZ 4.02Å; K301-F303 PolarHBondContact O-N 3.41Å; F303-G306 PolarHBondContact O-N 3.22Å; F303-K307 WeakPolarHBondContact O-CB 3.38Å; F303-K307 PolarHBondContact O-N 2.9Å; F303-S388 PolarHBondContact N-OG 3.14Å; F303-Y389 HydrophobicContact CB-CD2 4.37Å; F303-Y389 VanDerWaalsContact O-CD2 3.31Å; F303-Y389 WeakPolarHBondContact O-CD2 3.4Å; F303-F392 HydrophobicContact CB-CB 3.8Å; F303-F392 HydrophobicContact CB-CG 4.28Å; F303-F392 HydrophobicContact CD1-CD2 4.14Å; F303-F392 HydrophobicContact CD2-CB 4.22Å; F303-F392 HydrophobicContact CD2-CD1 4.26Å; F303-F392 AromaticContact CD2-CD2 3.55Å; F303-F392 HydrophobicContact CD2-CD2 3.55Å; F303-F392 AromaticContact CD2-CE2 3.9Å; F303-F392 HydrophobicContact CD2-CE2 3.9Å; F303-F392 AromaticContact CD2-CG 3.75Å; F303-F392 HydrophobicContact CD2-CG 3.75Å; F303-F392 HydrophobicContact CD2-CZ 4.43Å; F303-F392 HydrophobicContact CE1-CD2 4.12Å; F303-F392 HydrophobicContact CE1-CE2 4.5Å; F303-F392 AromaticContact CE2-CD2 3.53Å; F303-F392 HydrophobicContact CE2-CD2 3.53Å; F303-F392 AromaticContact CE2-CE2 3.44Å; F303-F392 HydrophobicContact CE2-CE2 3.44Å; F303-F392 VanDerWaalsContact CE2-CE2 3.44Å; F303-F392 HydrophobicContact CE2-CG 4.17Å; F303-F392 HydrophobicContact CE2-CZ 4.06Å; F303-F392 HydrophobicContact CG-CB 3.99Å; F303-F392 AromaticContact CG-CD2 3.85Å; F303-F392 HydrophobicContact CG-CD2 3.85Å; F303-F392 HydrophobicContact CG-CG 4Å; F303-F392 AromaticContact CZ-CD2 3.81Å; F303-F392 HydrophobicContact CZ-CD2 3.81Å; F303-F392 AromaticContact CZ-CE2 3.77Å; F303-F392 HydrophobicContact CZ-CE2 3.77Å
304	E	96.8	Very high	92.1	Very high	45 Å²	45	31.3 Å²	31.3	21%	0.21	15%	0.148	C	C	.	.	H	α-helix	trans	-71.1	-40.2	174.3	-74	-67.4	128.7	0	0	110.8	K301 S302 G306 K307 Y308 L320	K301-E304 HydrophobicContact CB-CB 4.1Å; K301-E304 HydrophobicContact CB-CG 3.88Å; K301-E304 HydrophobicContact CD-CG 4.31Å; K301-E304 WeakPolarHBondContact O-CB 3.38Å; K301-E304 PolarHBondContact O-N 3.34Å; K301-E304 VanDerWaalsContact O-N 3.07Å; S302-E304 VanDerWaalsContact C-N 3.35Å; E304-G306 VanDerWaalsContact C-N 3.33Å; E304-K307 WeakPolarHBondContact O-CB 3.5Å; E304-K307 PolarHBondContact O-N 3.41Å; E304-K307 IonicContact OE1-NZ 3.2Å; E304-K307 PolarHBondContact OE1-NZ 3.21Å; E304-K307 WeakPolarHBondContact OE2-CE 3.4Å; E304-K307 IonicContact OE2-NZ 2.71Å; E304-K307 PolarHBondContact OE2-NZ 3.23Å; E304-Y308 WeakPolarHBondContact O-CD2 3.45Å; E304-Y308 PolarHBondContact O-N 3.3Å; E304-Y308 VanDerWaalsContact O-N 3.08Å; E304-L320 HydrophobicContact CB-CD2 3.54Å
305	I	97.1	Very high	92.3	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.015	16%	0.164	C	C	.	.	H	α-helix	trans	-58.9	-48.7	170.8	-60.5	164.1	0	0	0	109.1	K301 S302 K307 Y308 L309 A317 L320 I321 Y385	K301-I305 PolarHBondContact O-N 3.47Å; S302-I305 PolarHBondContact O-N 3.01Å; I305-K307 VanDerWaalsContact C-N 3.34Å; I305-K307 PolarHBondContact O-N 3.1Å; I305-Y308 PolarHBondContact O-N 3.42Å; I305-Y308 VanDerWaalsContact O-N 3.12Å; I305-L309 HydrophobicContact CG2-CD1 4.15Å; I305-L309 HydrophobicContact CG2-CG 4.36Å; I305-L309 WeakPolarHBondContact O-CG 3.5Å; I305-L309 PolarHBondContact O-N 2.69Å; I305-A317 HydrophobicContact CG2-CB 4.37Å; I305-L320 HydrophobicContact CD1-CG 4.38Å; I305-L320 HydrophobicContact CG1-CB 4.02Å; I305-L320 HydrophobicContact CG1-CD2 3.62Å; I305-L320 HydrophobicContact CG1-CG 3.72Å; I305-I321 HydrophobicContact CD1-CG1 3.67Å; I305-I321 HydrophobicContact CG1-CG1 4.15Å; I305-I321 HydrophobicContact CG2-CD1 3.93Å; I305-I321 HydrophobicContact CG2-CG1 3.84Å; I305-Y385 HydrophobicContact CB-CD1 3.73Å; I305-Y385 HydrophobicContact CB-CE1 4.17Å; I305-Y385 HydrophobicContact CB-CG 4.08Å; I305-Y385 HydrophobicContact CD1-CD1 3.9Å; I305-Y385 HydrophobicContact CD1-CE1 3.46Å; I305-Y385 VanDerWaalsContact CD1-CE1 3.46Å; I305-Y385 HydrophobicContact CG1-CD1 4.41Å; I305-Y385 HydrophobicContact CG1-CE1 4.4Å; I305-Y385 HydrophobicContact CG2-CD1 3.63Å; I305-Y385 HydrophobicContact CG2-CD2 3.83Å; I305-Y385 HydrophobicContact CG2-CE1 4Å; I305-Y385 HydrophobicContact CG2-CE2 4.17Å; I305-Y385 HydrophobicContact CG2-CG 3.56Å
306	G	97.5	Very high	93	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54	-46.3	175.4	0	0	0	0	0	113.5	S302 F303 E304 Y308 L309 I310 Y385	S302-G306 PolarHBondContact O-N 3.16Å; F303-G306 PolarHBondContact O-N 3.22Å; E304-G306 VanDerWaalsContact C-N 3.33Å; G306-Y308 VanDerWaalsContact C-N 3.35Å; G306-Y308 PolarHBondContact O-N 3.39Å; G306-L309 PolarHBondContact O-N 2.74Å; G306-I310 WeakPolarHBondContact O-CD1 3.3Å; G306-I310 VanDerWaalsContact O-CG1 3.32Å; G306-I310 WeakPolarHBondContact O-CG1 3.46Å; G306-I310 PolarHBondContact O-N 3.44Å; G306-Y385 VanDerWaalsContact CA-C 3.48Å; G306-Y385 WeakPolarHBondContact CA-O 3.33Å
307	K	98	Very high	94.2	Very high	30 Å²	30	32.4 Å²	32.4	13%	0.13	16%	0.161	C	C	.	.	H	α-helix	trans	-57	-45.8	175.4	-176	177.4	66.4	-168.8	0	111.9	F303 E304 I305 R311 Y389 L507	F303-K307 WeakPolarHBondContact O-CB 3.38Å; F303-K307 PolarHBondContact O-N 2.9Å; E304-K307 WeakPolarHBondContact O-CB 3.5Å; E304-K307 PolarHBondContact O-N 3.41Å; E304-K307 IonicContact OE1-NZ 3.2Å; E304-K307 PolarHBondContact OE1-NZ 3.21Å; E304-K307 WeakPolarHBondContact OE2-CE 3.4Å; E304-K307 IonicContact OE2-NZ 2.71Å; E304-K307 PolarHBondContact OE2-NZ 3.23Å; I305-K307 VanDerWaalsContact C-N 3.34Å; I305-K307 PolarHBondContact O-N 3.1Å; K307-R311 VanDerWaalsContact O-CG 3.25Å; K307-R311 WeakPolarHBondContact O-CG 3.29Å; K307-R311 PolarHBondContact O-N 3.13Å; K307-R311 VanDerWaalsContact O-N 3.15Å; K307-Y389 HydrophobicContact CB-CD2 3.81Å; K307-Y389 HydrophobicContact CB-CE2 3.8Å; K307-Y389 HydrophobicContact CB-CG 4.21Å; K307-Y389 HydrophobicContact CD-CE2 3.93Å; K307-Y389 HydrophobicContact CG-CD2 4.48Å; K307-Y389 HydrophobicContact CG-CE2 3.98Å; K307-L507 HydrophobicContact CG-CD1 4.05Å
308	Y	98.4	Very high	95.2	Very high	57 Å²	57	32.1 Å²	32.1	22%	0.224	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-38.3	177.2	-72	-56.5	0	0	0	112.9	E304 I305 G306 R311 S312 K313 D316 L320	E304-Y308 WeakPolarHBondContact O-CD2 3.45Å; E304-Y308 PolarHBondContact O-N 3.3Å; E304-Y308 VanDerWaalsContact O-N 3.08Å; I305-Y308 PolarHBondContact O-N 3.42Å; I305-Y308 VanDerWaalsContact O-N 3.12Å; G306-Y308 VanDerWaalsContact C-N 3.35Å; G306-Y308 PolarHBondContact O-N 3.39Å; Y308-R311 CarbonylContact O-C 3.6Å; Y308-R311 PolarHBondContact O-N 3.2Å; Y308-S312 PolarHBondContact O-N 3.4Å; Y308-K313 HydrophobicContact CD1-CB 3.9Å; Y308-K313 HydrophobicContact CD1-CD 3.84Å; Y308-K313 HydrophobicContact CE1-CD 4.21Å; Y308-K313 HydrophobicContact CG-CB 4.49Å; Y308-K313 PolarHBondContact O-N 3.31Å; Y308-D316 HydrophobicContact CD1-CB 3.55Å; Y308-D316 HydrophobicContact CD2-CB 4.05Å; Y308-D316 HydrophobicContact CE1-CB 3.73Å; Y308-D316 HydrophobicContact CE2-CB 4.21Å; Y308-D316 HydrophobicContact CG-CB 3.73Å; Y308-L320 HydrophobicContact CD2-CD2 4.28Å; Y308-L320 HydrophobicContact CE2-CD2 4.18Å
309	L	98.3	Very high	96	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-45.5	176.4	-67.6	176.2	0	0	0	112	I305 G306 R311 S312 W314 A317 I374 Y385 V386 F519	I305-L309 HydrophobicContact CG2-CD1 4.15Å; I305-L309 HydrophobicContact CG2-CG 4.36Å; I305-L309 WeakPolarHBondContact O-CG 3.5Å; I305-L309 PolarHBondContact O-N 2.69Å; G306-L309 PolarHBondContact O-N 2.74Å; L309-R311 PolarHBondContact O-N 3.22Å; L309-S312 PolarHBondContact O-N 3.31Å; L309-W314 HydrophobicContact CD2-CE3 4.04Å; L309-W314 HydrophobicContact CD2-CZ3 4.01Å; L309-W314 WeakPolarHBondContact O-CZ3 3.16Å; L309-A317 HydrophobicContact CD2-CB 3.73Å; L309-A317 HydrophobicContact CG-CB 4.1Å; L309-I374 HydrophobicContact CD2-CD1 3.7Å; L309-I374 HydrophobicContact CD2-CG2 4.16Å; L309-Y385 HydrophobicContact CD1-CD2 4.02Å; L309-Y385 HydrophobicContact CD1-CG 4.21Å; L309-V386 HydrophobicContact CB-CG1 3.83Å; L309-V386 HydrophobicContact CD1-CG1 4.16Å; L309-F519 HydrophobicContact CB-CD1 4.48Å; L309-F519 HydrophobicContact CB-CE1 4.37Å; L309-F519 HydrophobicContact CB-CZ 4.49Å; L309-F519 HydrophobicContact CD1-CE1 3.99Å; L309-F519 HydrophobicContact CD1-CZ 4.37Å; L309-F519 HydrophobicContact CD2-CE1 4.48Å; L309-F519 HydrophobicContact CD2-CZ 4.05Å
310	I	98	Very high	96.7	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-33.8	176.7	-63.3	158.1	0	0	0	110.6	G306 S312 V386 Y389 L507 D511 F512 H514 L521	G306-I310 WeakPolarHBondContact O-CD1 3.3Å; G306-I310 VanDerWaalsContact O-CG1 3.32Å; G306-I310 WeakPolarHBondContact O-CG1 3.46Å; G306-I310 PolarHBondContact O-N 3.44Å; I310-S312 PolarHBondContact O-N 2.91Å; I310-V386 HydrophobicContact CD1-CB 4.29Å; I310-V386 HydrophobicContact CD1-CG1 4.36Å; I310-V386 HydrophobicContact CG1-CB 4.21Å; I310-V386 HydrophobicContact CG1-CG1 3.85Å; I310-Y389 HydrophobicContact CD1-CD1 3.58Å; I310-Y389 HydrophobicContact CD1-CE1 4.38Å; I310-Y389 HydrophobicContact CD1-CG 4.29Å; I310-L507 HydrophobicContact CB-CD1 4.48Å; I310-L507 HydrophobicContact CB-CD2 4.46Å; I310-L507 HydrophobicContact CG2-CD1 4.22Å; I310-L507 HydrophobicContact CG2-CD2 3.7Å; I310-D511 HydrophobicContact CG2-CB 4.06Å; I310-F512 HydrophobicContact CD1-CD1 4.37Å; I310-F512 HydrophobicContact CD1-CE1 3.97Å; I310-F512 HydrophobicContact CG2-CD1 4.36Å; I310-H514 PolarHBondContact O-CD2 3.22Å; I310-H514 PolarHBondContact O-NE2 3.36Å; I310-L521 HydrophobicContact CD1-CD1 3.97Å; I310-L521 HydrophobicContact CG1-CD1 4.31Å
311	R	97.6	Very high	97.1	Very high	66 Å²	66	30.1 Å²	30.1	25%	0.249	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	3.6	176	-67.3	175.7	66.7	-178.4	4.5	114.2	K307 Y308 L309 K313 L507	K307-R311 VanDerWaalsContact O-CG 3.25Å; K307-R311 WeakPolarHBondContact O-CG 3.29Å; K307-R311 PolarHBondContact O-N 3.13Å; K307-R311 VanDerWaalsContact O-N 3.15Å; Y308-R311 CarbonylContact O-C 3.6Å; Y308-R311 PolarHBondContact O-N 3.2Å; L309-R311 PolarHBondContact O-N 3.22Å; R311-K313 HydrophobicContact CB-CB 4.44Å; R311-K313 HydrophobicContact CB-CD 4.21Å; R311-K313 HydrophobicContact CB-CG 4.08Å; R311-K313 PolarHBondContact O-N 2.92Å; R311-K313 VanDerWaalsContact O-N 3.1Å; R311-L507 HydrophobicContact CG-CD1 4.23Å; R311-L507 HydrophobicContact CG-CD2 3.48Å; R311-L507 VanDerWaalsContact CG-CD2 3.48Å; R311-L507 HydrophobicContact CG-CG 3.83Å
312	S	97.6	Very high	97.2	Very high	49 Å²	49	28.4 Å²	28.4	34%	0.343	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	23.8	-172.1	-68.7	0	0	0	0	114.6	Y308 L309 I310 W314 H514	Y308-S312 PolarHBondContact O-N 3.4Å; L309-S312 PolarHBondContact O-N 3.31Å; I310-S312 PolarHBondContact O-N 2.91Å; S312-W314 VanDerWaalsContact C-N 3.3Å; S312-W314 VanDerWaalsContact CA-CZ2 3.46Å; S312-W314 VanDerWaalsContact CB-CZ2 3.41Å; S312-W314 PolarHBondContact O-N 3.42Å; S312-W314 VanDerWaalsContact O-N 3.09Å; S312-W314 PolarHBondContact O-NE1 2.78Å; S312-W314 VanDerWaalsContact OG-CZ2 3.23Å; S312-W314 WeakPolarHBondContact OG-CZ2 3.14Å; S312-H514 PolarHBondContact OG-NE2 3.09Å
313	K	98.1	Very high	97.2	Very high	77 Å²	77	32.4 Å²	32.4	34%	0.335	16%	0.159	S	C	.	.			trans	-87.4	69.8	178	-76.9	-176.8	154.9	-134.8	0	110.2	Y308 R311 A315 D316 A317	Y308-K313 HydrophobicContact CD1-CB 3.9Å; Y308-K313 HydrophobicContact CD1-CD 3.84Å; Y308-K313 HydrophobicContact CE1-CD 4.21Å; Y308-K313 HydrophobicContact CG-CB 4.49Å; Y308-K313 PolarHBondContact O-N 3.31Å; R311-K313 HydrophobicContact CB-CB 4.44Å; R311-K313 HydrophobicContact CB-CD 4.21Å; R311-K313 HydrophobicContact CB-CG 4.08Å; R311-K313 PolarHBondContact O-N 2.92Å; R311-K313 VanDerWaalsContact O-N 3.1Å; K313-A315 PolarHBondContact O-N 2.69Å; K313-D316 HydrophobicContact CB-CB 4.17Å; K313-D316 WeakPolarHBondContact CB-OD2 2.88Å; K313-D316 WeakPolarHBondContact CD-OD2 3.32Å; K313-D316 IonicContact NZ-OD2 2.77Å; K313-D316 PolarHBondContact O-N 3.28Å; K313-A317 PolarHBondContact O-N 2.86Å
314	W	98.3	Very high	97.1	Very high	47 Å²	47	33.2 Å²	33.2	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-43.1	-170.3	-46.4	123	0	0	0	113.5	L309 S312 A317 I318 L371 I374 H514 V516 F519	L309-W314 HydrophobicContact CD2-CE3 4.04Å; L309-W314 HydrophobicContact CD2-CZ3 4.01Å; L309-W314 WeakPolarHBondContact O-CZ3 3.16Å; S312-W314 VanDerWaalsContact C-N 3.3Å; S312-W314 VanDerWaalsContact CA-CZ2 3.46Å; S312-W314 VanDerWaalsContact CB-CZ2 3.41Å; S312-W314 PolarHBondContact O-N 3.42Å; S312-W314 VanDerWaalsContact O-N 3.09Å; S312-W314 PolarHBondContact O-NE1 2.78Å; S312-W314 VanDerWaalsContact OG-CZ2 3.23Å; S312-W314 WeakPolarHBondContact OG-CZ2 3.14Å; W314-A317 PolarHBondContact O-N 3.06Å; W314-I318 WeakPolarHBondContact O-CB 3.33Å; W314-I318 VanDerWaalsContact O-CG1 3.24Å; W314-I318 WeakPolarHBondContact O-CG1 3.46Å; W314-I318 PolarHBondContact O-N 3.39Å; W314-L371 HydrophobicContact CD2-CB 4.12Å; W314-L371 HydrophobicContact CD2-CD1 4.44Å; W314-L371 HydrophobicContact CE3-CD1 4.29Å; W314-L371 HydrophobicContact CG-CB 4.34Å; W314-L371 HydrophobicContact CH2-CD1 3.96Å; W314-L371 HydrophobicContact CZ2-CB 4.33Å; W314-L371 HydrophobicContact CZ2-CD1 4.1Å; W314-L371 HydrophobicContact CZ2-CD2 4.42Å; W314-L371 HydrophobicContact CZ3-CD1 4.06Å; W314-I374 HydrophobicContact CB-CD1 3.84Å; W314-I374 HydrophobicContact CD2-CD1 4.19Å; W314-I374 HydrophobicContact CE3-CD1 3.58Å; W314-I374 HydrophobicContact CG-CD1 4.34Å; W314-H514 AromaticContact CH2-CE1 3.77Å; W314-H514 AromaticContact CH2-NE2 3.95Å; W314-V516 HydrophobicContact CH2-CG2 4.41Å; W314-F519 AromaticContact CH2-CD2 3.86Å; W314-F519 HydrophobicContact CH2-CD2 3.86Å; W314-F519 AromaticContact CH2-CE2 3.68Å; W314-F519 HydrophobicContact CH2-CE2 3.68Å; W314-F519 AromaticContact CZ3-CD2 3.95Å; W314-F519 HydrophobicContact CZ3-CD2 3.95Å; W314-F519 AromaticContact CZ3-CE2 3.45Å; W314-F519 HydrophobicContact CZ3-CE2 3.45Å; W314-F519 VanDerWaalsContact CZ3-CE2 3.45Å; W314-F519 HydrophobicContact CZ3-CZ 4.31Å
315	A	98.3	Very high	96.7	Very high	40 Å²	40	31.4 Å²	31.4	33%	0.331	16%	0.157	S	C	.	.	H	α-helix	trans	-63.8	-46.3	179.5	0	0	0	0	0	111.9	K313 A317 I318 D319 K369	K313-A315 PolarHBondContact O-N 2.69Å; A315-A317 VanDerWaalsContact C-N 3.32Å; A315-A317 PolarHBondContact O-N 3.12Å; A315-I318 PolarHBondContact O-N 3.25Å; A315-D319 WeakPolarHBondContact O-CB 3.21Å; A315-D319 VanDerWaalsContact O-CG 3.23Å; A315-D319 PolarHBondContact O-N 3.41Å; A315-K369 HydrophobicContact CB-CB 4.02Å; A315-K369 HydrophobicContact CB-CD 4.27Å
316	D	98.1	Very high	96.2	Very high	64 Å²	64	37.9 Å²	37.9	34%	0.342	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-40.6	177.3	-62.2	-46.7	0	0	0	111.6	Y308 K313 L320	Y308-D316 HydrophobicContact CD1-CB 3.55Å; Y308-D316 HydrophobicContact CD2-CB 4.05Å; Y308-D316 HydrophobicContact CE1-CB 3.73Å; Y308-D316 HydrophobicContact CE2-CB 4.21Å; Y308-D316 HydrophobicContact CG-CB 3.73Å; K313-D316 HydrophobicContact CB-CB 4.17Å; K313-D316 WeakPolarHBondContact CB-OD2 2.88Å; K313-D316 WeakPolarHBondContact CD-OD2 3.32Å; K313-D316 IonicContact NZ-OD2 2.77Å; K313-D316 PolarHBondContact O-N 3.28Å; D316-L320 WeakPolarHBondContact O-CB 3.31Å; D316-L320 PolarHBondContact O-N 3.31Å; D316-L320 VanDerWaalsContact O-N 3.09Å
317	A	98	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.7	-45.2	176.7	0	0	0	0	0	112	I305 L309 K313 W314 A315 L320 I321	I305-A317 HydrophobicContact CG2-CB 4.37Å; L309-A317 HydrophobicContact CD2-CB 3.73Å; L309-A317 HydrophobicContact CG-CB 4.1Å; K313-A317 PolarHBondContact O-N 2.86Å; W314-A317 PolarHBondContact O-N 3.06Å; A315-A317 VanDerWaalsContact C-N 3.32Å; A315-A317 PolarHBondContact O-N 3.12Å; A317-L320 PolarHBondContact O-N 3.41Å; A317-I321 VanDerWaalsContact O-CG1 3.32Å; A317-I321 WeakPolarHBondContact O-CG1 3.14Å; A317-I321 PolarHBondContact O-N 3.35Å
318	I	98	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62	-45.5	177.7	-73.4	169.4	0	0	0	110.8	W314 A315 L320 I321 L322 L360 I364 K369 A373 I374	W314-I318 WeakPolarHBondContact O-CB 3.33Å; W314-I318 VanDerWaalsContact O-CG1 3.24Å; W314-I318 WeakPolarHBondContact O-CG1 3.46Å; W314-I318 PolarHBondContact O-N 3.39Å; A315-I318 PolarHBondContact O-N 3.25Å; I318-L320 PolarHBondContact O-N 2.94Å; I318-I321 PolarHBondContact O-N 3.42Å; I318-L322 HydrophobicContact CG2-CD1 4.15Å; I318-L322 PolarHBondContact O-N 2.94Å; I318-L360 HydrophobicContact CG1-CD1 4.29Å; I318-L360 HydrophobicContact CG2-CD2 4.44Å; I318-I364 HydrophobicContact CG2-CD1 3.5Å; I318-I364 VanDerWaalsContact CG2-CD1 3.5Å; I318-I364 HydrophobicContact CG2-CG1 4.14Å; I318-K369 HydrophobicContact CD1-CB 3.88Å; I318-K369 HydrophobicContact CD1-CG 4.4Å; I318-K369 HydrophobicContact CG2-CD 4.39Å; I318-K369 HydrophobicContact CG2-CG 4.19Å; I318-A373 HydrophobicContact CD1-CB 4.22Å; I318-I374 HydrophobicContact CD1-CD1 4.27Å; I318-I374 HydrophobicContact CD1-CG1 3.92Å; I318-I374 HydrophobicContact CG1-CD1 4.09Å; I318-I374 HydrophobicContact CG1-CG1 3.74Å
319	D	97.1	Very high	94.4	Very high	65 Å²	65	42.6 Å²	42.6	35%	0.348	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-33.5	-178.1	-72	-11.7	0	0	0	111.6	A315 K323 K369	A315-D319 WeakPolarHBondContact O-CB 3.21Å; A315-D319 VanDerWaalsContact O-CG 3.23Å; A315-D319 PolarHBondContact O-N 3.41Å; D319-K323 PolarHBondContact O-N 2.95Å; D319-K369 WeakPolarHBondContact OD1-CD 3.35Å; D319-K369 WeakPolarHBondContact OD1-CE 3.24Å; D319-K369 IonicContact OD1-NZ 2.85Å; D319-K369 PolarHBondContact OD1-NZ 2.89Å; D319-K369 IonicContact OD2-NZ 2.62Å; D319-K369 PolarHBondContact OD2-NZ 2.87Å
320	L	96.2	Very high	94.1	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.12	24%	0.244	C	C	.	.	H	α-helix	trans	-73.3	-38.9	174.8	-169.8	57.2	0	0	0	112.9	S300 E304 I305 Y308 D316 A317 I318 L322 K323	S300-L320 PolarHBondContact OG-O 3.14Å; E304-L320 HydrophobicContact CB-CD2 3.54Å; I305-L320 HydrophobicContact CD1-CG 4.38Å; I305-L320 HydrophobicContact CG1-CB 4.02Å; I305-L320 HydrophobicContact CG1-CD2 3.62Å; I305-L320 HydrophobicContact CG1-CG 3.72Å; Y308-L320 HydrophobicContact CD2-CD2 4.28Å; Y308-L320 HydrophobicContact CE2-CD2 4.18Å; D316-L320 WeakPolarHBondContact O-CB 3.31Å; D316-L320 PolarHBondContact O-N 3.31Å; D316-L320 VanDerWaalsContact O-N 3.09Å; A317-L320 PolarHBondContact O-N 3.41Å; I318-L320 PolarHBondContact O-N 2.94Å; L320-L322 VanDerWaalsContact C-N 3.34Å; L320-K323 HydrophobicContact CD1-CD 3.96Å; L320-K323 VanDerWaalsContact O-CB 3.31Å; L320-K323 WeakPolarHBondContact O-CB 3.14Å; L320-K323 PolarHBondContact O-N 3.35Å
321	I	95	Very high	93.8	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-61.3	-43.6	174.6	-68.3	163.4	0	0	0	110.9	I305 A317 I318 K323 L360 L377 Y385	I305-I321 HydrophobicContact CD1-CG1 3.67Å; I305-I321 HydrophobicContact CG1-CG1 4.15Å; I305-I321 HydrophobicContact CG2-CD1 3.93Å; I305-I321 HydrophobicContact CG2-CG1 3.84Å; A317-I321 VanDerWaalsContact O-CG1 3.32Å; A317-I321 WeakPolarHBondContact O-CG1 3.14Å; A317-I321 PolarHBondContact O-N 3.35Å; I318-I321 PolarHBondContact O-N 3.42Å; I321-K323 VanDerWaalsContact C-N 3.3Å; I321-K323 PolarHBondContact O-N 2.9Å; I321-L360 HydrophobicContact CB-CD2 4.03Å; I321-L360 HydrophobicContact CD1-CD2 4.21Å; I321-L360 HydrophobicContact CG2-CD2 3.61Å; I321-L377 HydrophobicContact CD1-CD1 4.38Å; I321-Y385 HydrophobicContact CD1-CE2 3.94Å; I321-Y385 HydrophobicContact CG1-CE2 4.31Å
322	L	95.6	Very high	93.5	Very high	8 Å²	8	48.7 Å²	48.7	4%	0.042	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	6.7	-178	-64.7	177.6	0	0	0	113.5	I318 L320 P324 K336 F339 E357 L360 L361 I364	I318-L322 HydrophobicContact CG2-CD1 4.15Å; I318-L322 PolarHBondContact O-N 2.94Å; L320-L322 VanDerWaalsContact C-N 3.34Å; L322-P324 WeakPolarHBondContact O-CD 3.37Å; L322-K336 WeakPolarHBondContact O-CB 3.47Å; L322-F339 HydrophobicContact CB-CD1 4.34Å; L322-F339 HydrophobicContact CB-CE1 4.49Å; L322-F339 HydrophobicContact CD1-CD1 3.81Å; L322-F339 HydrophobicContact CD1-CE1 3.52Å; L322-F339 HydrophobicContact CD1-CZ 4.34Å; L322-E357 HydrophobicContact CD2-CB 4.19Å; L322-E357 HydrophobicContact CD2-CG 3.95Å; L322-L360 HydrophobicContact CD1-CD2 4.15Å; L322-L360 HydrophobicContact CD1-CG 4.37Å; L322-L360 HydrophobicContact CD2-CD2 4.16Å; L322-L360 HydrophobicContact CG-CD2 3.9Å; L322-L361 HydrophobicContact CD1-CD2 3.92Å; L322-L361 HydrophobicContact CD1-CG 4.4Å; L322-I364 HydrophobicContact CD1-CD1 3.51Å
323	K	94.1	Very high	93.3	Very high	88 Å²	88	48.8 Å²	48.8	38%	0.383	25%	0.25	S	S	.	.			trans	-64.1	125	176.1	-171.9	174.2	179.3	-177.2	0	109.6	K299 D319 L320 I321 T325	K299-K323 PolarHBondContact O-NZ 3.24Å; D319-K323 PolarHBondContact O-N 2.95Å; L320-K323 HydrophobicContact CD1-CD 3.96Å; L320-K323 VanDerWaalsContact O-CB 3.31Å; L320-K323 WeakPolarHBondContact O-CB 3.14Å; L320-K323 PolarHBondContact O-N 3.35Å; I321-K323 VanDerWaalsContact C-N 3.3Å; I321-K323 PolarHBondContact O-N 2.9Å; K323-T325 WeakPolarHBondContact O-CG2 3.46Å
324	P	92.6	Very high	93.1	Very high	23 Å²	23	52.1 Å²	52.1	15%	0.149	27%	0.265	C	S	.	.			trans	-64	136.9	175.1	-14.3	24.7	0	0	0	111.7	L322 R333 K336 E337 L340	L322-P324 WeakPolarHBondContact O-CD 3.37Å; P324-R333 HydrophobicContact CB-CG 3.98Å; P324-K336 HydrophobicContact CB-CB 4.05Å; P324-K336 HydrophobicContact CG-CB 3.73Å; P324-E337 HydrophobicContact CB-CG 3.81Å; P324-E337 HydrophobicContact CG-CB 4.44Å; P324-E337 HydrophobicContact CG-CG 3.71Å; P324-L340 HydrophobicContact CG-CD2 4.4Å
325	T	89.7	Confident	93	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.049	26%	0.26	C	S	.	.			trans	-137.7	160.1	-178.8	71.9	0	0	0	0	111.4	S297 K299 K323 A327 D328 R333	S297-T325 VanDerWaalsContact OG-CG2 3.29Å; S297-T325 WeakPolarHBondContact OG-CG2 3.26Å; K299-T325 HydrophobicContact CB-CG2 4.25Å; K323-T325 WeakPolarHBondContact O-CG2 3.46Å; T325-A327 PolarHBondContact O-N 2.69Å; T325-A327 PolarHBondContact OG1-N 3.1Å; T325-D328 WeakPolarHBondContact CA-OD2 3.24Å; T325-D328 PolarHBondContact N-OD2 3.26Å; T325-D328 WeakPolarHBondContact O-CB 3.43Å; T325-D328 PolarHBondContact O-N 3.24Å; T325-D328 PolarHBondContact OG1-N 2.83Å; T325-D328 PolarHBondContact OG1-OD2 3.49Å; T325-R333 PolarHBondContact O-NE 2.9Å
326	Y	86.1	Confident	92.8	Very high	139 Å²	139	49.2 Å²	49.2	55%	0.545	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.5	175.7	-73.4	-83.2	0	0	0	113.2	D21 D328 R333	D21-Y326 PolarHBondContact OD2-N 2.82Å; Y326-D328 VanDerWaalsContact C-N 3.3Å; Y326-R333 VanDerWaalsContact CA-NH2 3.3Å; Y326-R333 PolarHBondContact O-NH2 3.25Å
327	A	82.6	Confident	92.7	Very high	61 Å²	61	49.9 Å²	49.9	50%	0.504	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-20.4	171.5	0	0	0	0	0	113	T325	T325-A327 PolarHBondContact O-N 2.69Å; T325-A327 PolarHBondContact OG1-N 3.1Å
328	D	85.8	Confident	92.7	Very high	20 Å²	20	54 Å²	54	11%	0.107	27%	0.266	C	S	.	.	S	Bend	trans	-69.5	145.6	177	-64.8	-61.6	0	0	0	111.6	T325 Y326 R333 K336	T325-D328 WeakPolarHBondContact CA-OD2 3.24Å; T325-D328 PolarHBondContact N-OD2 3.26Å; T325-D328 WeakPolarHBondContact O-CB 3.43Å; T325-D328 PolarHBondContact O-N 3.24Å; T325-D328 PolarHBondContact OG1-N 2.83Å; T325-D328 PolarHBondContact OG1-OD2 3.49Å; Y326-D328 VanDerWaalsContact C-N 3.3Å; D328-R333 HydrophobicContact CB-CB 3.95Å; D328-R333 PolarHBondContact O-NH2 2.88Å; D328-K336 IonicContact OD1-NZ 3.06Å; D328-K336 PolarHBondContact OD1-NZ 3.28Å; D328-K336 IonicContact OD2-NZ 3.97Å
329	L	88	Confident	92.6	Very high	105 Å²	105	54.7 Å²	54.7	55%	0.55	27%	0.269	S	S	.	.			trans	-56	141	165.7	-67.3	173	0	0	0	109.5	F331 L332 R333	L329-F331 VanDerWaalsContact C-N 3.25Å; L329-F331 HydrophobicContact CB-CD1 4.01Å; L329-F331 HydrophobicContact CB-CE1 3.59Å; L329-F331 HydrophobicContact CB-CZ 3.89Å; L329-F331 HydrophobicContact CD1-CE1 3.52Å; L329-F331 HydrophobicContact CD1-CZ 3.54Å; L329-F331 HydrophobicContact CG-CE1 4.15Å; L329-F331 HydrophobicContact CG-CZ 4.36Å; L329-F331 PolarHBondContact O-N 2.89Å; L329-F331 VanDerWaalsContact O-N 3.08Å; L329-L332 HydrophobicContact CB-CB 4.36Å; L329-L332 WeakPolarHBondContact O-CB 3.29Å; L329-L332 PolarHBondContact O-N 3.15Å; L329-R333 PolarHBondContact O-N 2.85Å
330	P	91	Very high	92.5	Very high	75 Å²	75	57.9 Å²	57.9	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-53.5	-37.4	-173.1	-30.2	35.3	0	0	0	114.8	K334	P330-K334 WeakPolarHBondContact O-CG 3.46Å; P330-K334 PolarHBondContact O-N 2.8Å
331	F	91.5	Very high	92.5	Very high	103 Å²	103	64.8 Å²	64.8	45%	0.452	32%	0.317	S	S	.	.	H	α-helix	trans	-69.3	-37.5	176.7	69.9	-100.1	0	0	0	112.1	L329 K334 V335 P353	L329-F331 VanDerWaalsContact C-N 3.25Å; L329-F331 HydrophobicContact CB-CD1 4.01Å; L329-F331 HydrophobicContact CB-CE1 3.59Å; L329-F331 HydrophobicContact CB-CZ 3.89Å; L329-F331 HydrophobicContact CD1-CE1 3.52Å; L329-F331 HydrophobicContact CD1-CZ 3.54Å; L329-F331 HydrophobicContact CG-CE1 4.15Å; L329-F331 HydrophobicContact CG-CZ 4.36Å; L329-F331 PolarHBondContact O-N 2.89Å; L329-F331 VanDerWaalsContact O-N 3.08Å; F331-K334 PolarHBondContact O-N 2.8Å; F331-V335 PolarHBondContact O-N 3.19Å; F331-P353 HydrophobicContact CD2-CG 3.8Å; F331-P353 HydrophobicContact CE2-CB 4.48Å; F331-P353 HydrophobicContact CE2-CG 3.13Å; F331-P353 HydrophobicContact CZ-CG 3.83Å
332	L	92	Very high	92.6	Very high	20 Å²	20	67.6 Å²	67.6	11%	0.105	34%	0.338	C	S	.	.	H	α-helix	trans	-72.3	-39.5	-177.2	-175.3	60.2	0	0	0	110.3	L329 K334 V335 K336 E357	L329-L332 HydrophobicContact CB-CB 4.36Å; L329-L332 WeakPolarHBondContact O-CB 3.29Å; L329-L332 PolarHBondContact O-N 3.15Å; L332-K334 VanDerWaalsContact C-N 3.32Å; L332-K334 PolarHBondContact O-N 2.96Å; L332-V335 WeakPolarHBondContact O-CB 3.27Å; L332-V335 PolarHBondContact O-N 2.79Å; L332-V335 VanDerWaalsContact O-N 3.17Å; L332-K336 PolarHBondContact O-N 3.47Å; L332-E357 HydrophobicContact CD1-CB 3.99Å; L332-E357 HydrophobicContact CD1-CG 3.89Å; L332-E357 HydrophobicContact CD2-CG 4.41Å; L332-E357 HydrophobicContact CG-CG 4.45Å
333	R	92.6	Very high	92.5	Very high	50 Å²	50	69.7 Å²	69.7	19%	0.189	36%	0.361	C	S	.	.	H	α-helix	trans	-55.9	-47.1	173.3	-165.9	-175.4	-57	156.1	12.5	111.5	P324 T325 Y326 D328 L329 V335 K336 E337	P324-R333 HydrophobicContact CB-CG 3.98Å; T325-R333 PolarHBondContact O-NE 2.9Å; Y326-R333 VanDerWaalsContact CA-NH2 3.3Å; Y326-R333 PolarHBondContact O-NH2 3.25Å; D328-R333 HydrophobicContact CB-CB 3.95Å; D328-R333 PolarHBondContact O-NH2 2.88Å; L329-R333 PolarHBondContact O-N 2.85Å; R333-V335 VanDerWaalsContact C-N 3.31Å; R333-V335 PolarHBondContact O-N 3.46Å; R333-K336 WeakPolarHBondContact O-CB 3.13Å; R333-K336 PolarHBondContact O-N 3.23Å; R333-K336 VanDerWaalsContact O-N 3.13Å; R333-E337 WeakPolarHBondContact CG-OE1 3.36Å; R333-E337 WeakPolarHBondContact O-CG 3.5Å; R333-E337 PolarHBondContact O-N 3.44Å
334	K	94.7	Very high	92.6	Very high	148 Å²	148	69.1 Å²	69.1	64%	0.643	36%	0.362	S	S	*	.	H	α-helix	trans	-59.5	-40	176.8	-73	178.9	179.5	-175.7	0	112.5	P330 F331 L332 E337 K338	P330-K334 WeakPolarHBondContact O-CG 3.46Å; P330-K334 PolarHBondContact O-N 2.8Å; F331-K334 PolarHBondContact O-N 2.8Å; L332-K334 VanDerWaalsContact C-N 3.32Å; L332-K334 PolarHBondContact O-N 2.96Å; K334-E337 PolarHBondContact O-N 2.92Å; K334-K338 WeakPolarHBondContact O-CB 3.3Å; K334-K338 PolarHBondContact O-N 3.41Å
335	V	95.5	Very high	92.9	Very high	13 Å²	13	68.3 Å²	68.3	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-63.5	-45.3	174.8	173.8	0	0	0	0	110.9	F331 L332 R333 E337 K338 F339 C348 C352 L361	F331-V335 PolarHBondContact O-N 3.19Å; L332-V335 WeakPolarHBondContact O-CB 3.27Å; L332-V335 PolarHBondContact O-N 2.79Å; L332-V335 VanDerWaalsContact O-N 3.17Å; R333-V335 VanDerWaalsContact C-N 3.31Å; R333-V335 PolarHBondContact O-N 3.46Å; V335-E337 PolarHBondContact O-N 3.11Å; V335-K338 PolarHBondContact O-N 3.01Å; V335-F339 PolarHBondContact O-N 2.84Å; V335-C348 HydrophobicContact CG1-CB 4.07Å; V335-C352 HydrophobicContact CG1-CB 4Å; V335-L361 HydrophobicContact CG1-CD1 4.07Å
336	K	95.1	Very high	93.2	Very high	12 Å²	12	74.3 Å²	74.3	5%	0.052	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-42.4	176.4	-70.4	-177.9	179.5	178.7	0	111.8	L322 P324 D328 L332 R333 F339 L340 E357	L322-K336 WeakPolarHBondContact O-CB 3.47Å; P324-K336 HydrophobicContact CB-CB 4.05Å; P324-K336 HydrophobicContact CG-CB 3.73Å; D328-K336 IonicContact OD1-NZ 3.06Å; D328-K336 PolarHBondContact OD1-NZ 3.28Å; D328-K336 IonicContact OD2-NZ 3.97Å; L332-K336 PolarHBondContact O-N 3.47Å; R333-K336 WeakPolarHBondContact O-CB 3.13Å; R333-K336 PolarHBondContact O-N 3.23Å; R333-K336 VanDerWaalsContact O-N 3.13Å; K336-F339 PolarHBondContact O-N 3.24Å; K336-L340 WeakPolarHBondContact O-CB 3.34Å; K336-L340 PolarHBondContact O-N 3.41Å; K336-E357 VanDerWaalsContact CE-OE1 3.26Å; K336-E357 WeakPolarHBondContact CE-OE1 3.47Å; K336-E357 IonicContact NZ-OE1 3.96Å; K336-E357 PolarHBondContact NZ-OE1 3.24Å
337	E	96.4	Very high	93.7	Very high	79 Å²	79	68.5 Å²	68.5	37%	0.369	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-45.4	176.5	-73	166.3	177.2	0	0	111.9	P324 R333 K334 V335 F339 L340 Q341	P324-E337 HydrophobicContact CB-CG 3.81Å; P324-E337 HydrophobicContact CG-CB 4.44Å; P324-E337 HydrophobicContact CG-CG 3.71Å; R333-E337 WeakPolarHBondContact CG-OE1 3.36Å; R333-E337 WeakPolarHBondContact O-CG 3.5Å; R333-E337 PolarHBondContact O-N 3.44Å; K334-E337 PolarHBondContact O-N 2.92Å; V335-E337 PolarHBondContact O-N 3.11Å; E337-F339 VanDerWaalsContact C-N 3.32Å; E337-F339 PolarHBondContact O-N 2.86Å; E337-L340 PolarHBondContact O-N 3Å; E337-Q341 WeakPolarHBondContact O-CG 3.38Å; E337-Q341 PolarHBondContact O-N 2.84Å; E337-Q341 VanDerWaalsContact O-N 3.08Å
338	K	96.5	Very high	94.4	Very high	85 Å²	85	65.6 Å²	65.6	37%	0.37	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-45.3	174.7	-177.7	-178.2	172.1	179	0	110.8	K334 V335 Q341 S342 D351	K334-K338 WeakPolarHBondContact O-CB 3.3Å; K334-K338 PolarHBondContact O-N 3.41Å; V335-K338 PolarHBondContact O-N 3.01Å; K338-Q341 PolarHBondContact O-N 3.07Å; K338-S342 WeakPolarHBondContact O-CB 3.48Å; K338-S342 PolarHBondContact O-N 3.43Å; K338-S342 PolarHBondContact O-OG 3.48Å; K338-D351 IonicContact NZ-OD2 2.81Å; K338-D351 PolarHBondContact NZ-OD2 2.88Å
339	F	96.9	Very high	94.8	Very high	15 Å²	15	64.7 Å²	64.7	7%	0.066	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-42.9	178.4	176.9	-114.3	0	0	0	111.8	L322 V335 K336 E337 Q341 G343 A345 C348 L361 I364	L322-F339 HydrophobicContact CB-CD1 4.34Å; L322-F339 HydrophobicContact CB-CE1 4.49Å; L322-F339 HydrophobicContact CD1-CD1 3.81Å; L322-F339 HydrophobicContact CD1-CE1 3.52Å; L322-F339 HydrophobicContact CD1-CZ 4.34Å; V335-F339 PolarHBondContact O-N 2.84Å; K336-F339 PolarHBondContact O-N 3.24Å; E337-F339 VanDerWaalsContact C-N 3.32Å; E337-F339 PolarHBondContact O-N 2.86Å; F339-Q341 VanDerWaalsContact C-N 3.26Å; F339-Q341 PolarHBondContact O-N 3.21Å; F339-G343 WeakPolarHBondContact O-CA 3.39Å; F339-G343 PolarHBondContact O-N 3.06Å; F339-A345 HydrophobicContact CD2-CB 4.35Å; F339-A345 HydrophobicContact CE2-CB 3.77Å; F339-C348 HydrophobicContact CB-CB 4.23Å; F339-L361 HydrophobicContact CB-CD2 4.26Å; F339-L361 HydrophobicContact CD1-CD2 4.02Å; F339-L361 HydrophobicContact CD2-CD2 3.74Å; F339-L361 HydrophobicContact CE1-CD2 4.31Å; F339-L361 HydrophobicContact CE2-CD2 4.07Å; F339-L361 HydrophobicContact CG-CD2 3.71Å; F339-L361 HydrophobicContact CZ-CD2 4.34Å; F339-I364 HydrophobicContact CE1-CD1 4.29Å; F339-I364 HydrophobicContact CZ-CD1 3.97Å; F339-I364 HydrophobicContact CZ-CG2 4.31Å
340	L	95.5	Very high	95.2	Very high	132 Å²	132	64.7 Å²	64.7	69%	0.691	34%	0.337	S	S	*	.	H	α-helix	trans	-59.4	-36	177.8	-177.6	61.5	0	0	0	112.5	P324 K336 E337	P324-L340 HydrophobicContact CG-CD2 4.4Å; K336-L340 WeakPolarHBondContact O-CB 3.34Å; K336-L340 PolarHBondContact O-N 3.41Å; E337-L340 PolarHBondContact O-N 3Å
341	Q	96.2	Very high	95.2	Very high	169 Å²	169	65.9 Å²	65.9	79%	0.79	34%	0.339	S	S	*	.	H	α-helix	trans	-82.5	-44	179.3	-67.5	172.6	11.2	0	0	113.6	E337 K338 F339	E337-Q341 WeakPolarHBondContact O-CG 3.38Å; E337-Q341 PolarHBondContact O-N 2.84Å; E337-Q341 VanDerWaalsContact O-N 3.08Å; K338-Q341 PolarHBondContact O-N 3.07Å; F339-Q341 VanDerWaalsContact C-N 3.26Å; F339-Q341 PolarHBondContact O-N 3.21Å
342	S	95.9	Very high	95.1	Very high	67 Å²	67	61.1 Å²	61.1	47%	0.469	32%	0.319	S	S	.	.	H	α-helix	trans	-94.2	-27	-170.1	62.9	0	0	0	0	114.6	K338 D344	K338-S342 WeakPolarHBondContact O-CB 3.48Å; K338-S342 PolarHBondContact O-N 3.43Å; K338-S342 PolarHBondContact O-OG 3.48Å; S342-D344 PolarHBondContact O-N 3.08Å; S342-D344 VanDerWaalsContact O-N 3.14Å; S342-D344 PolarHBondContact OG-N 3.4Å
343	G	94.3	Very high	94.9	Very high	51 Å²	51	63 Å²	63	53%	0.526	33%	0.332	S	S	.	.			trans	66.5	0.5	-168.7	0	0	0	0	0	115.1	F339 A345	F339-G343 WeakPolarHBondContact O-CA 3.39Å; F339-G343 PolarHBondContact O-N 3.06Å; G343-A345 PolarHBondContact O-N 2.8Å
344	D	96.9	Very high	94.5	Very high	77 Å²	77	66.2 Å²	66.2	41%	0.412	35%	0.352	S	S	.	.			trans	-77.8	85.4	-179.3	178.7	14.6	0	0	0	111	S342 K346 G347 C348	S342-D344 PolarHBondContact O-N 3.08Å; S342-D344 VanDerWaalsContact O-N 3.14Å; S342-D344 PolarHBondContact OG-N 3.4Å; D344-K346 VanDerWaalsContact C-N 3.29Å; D344-K346 PolarHBondContact O-N 3.18Å; D344-K346 PolarHBondContact OD1-N 3.42Å; D344-G347 PolarHBondContact OD1-N 3.44Å; D344-G347 WeakPolarHBondContact OD2-CA 3.35Å; D344-G347 PolarHBondContact OD2-N 2.94Å; D344-C348 WeakPolarHBondContact O-CB 3.38Å; D344-C348 PolarHBondContact O-N 2.74Å; D344-C348 VanDerWaalsContact O-N 3.1Å; D344-C348 PolarHBondContact O-SG 3.43Å
345	A	97.1	Very high	94.2	Very high	6 Å²	6	59.3 Å²	59.3	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-61.8	-36.1	-179.9	0	0	0	0	0	112.8	F339 G343 A349 L361 I364 A365	F339-A345 HydrophobicContact CD2-CB 4.35Å; F339-A345 HydrophobicContact CE2-CB 3.77Å; G343-A345 PolarHBondContact O-N 2.8Å; A345-A349 WeakPolarHBondContact O-CB 3.32Å; A345-A349 PolarHBondContact O-N 3.32Å; A345-L361 HydrophobicContact CB-CD2 4.43Å; A345-I364 HydrophobicContact CB-CB 3.93Å; A345-I364 HydrophobicContact CB-CG2 3.71Å; A345-A365 HydrophobicContact CB-CB 4.08Å
346	K	97	Very high	93.9	Very high	134 Å²	134	59 Å²	59	58%	0.583	32%	0.321	S	S	*	.	H	α-helix	trans	-73.4	-51.1	-176.1	-173.2	179.5	176.9	-174.9	0	110.7	D344 C348 A349 D350 A365	D344-K346 VanDerWaalsContact C-N 3.29Å; D344-K346 PolarHBondContact O-N 3.18Å; D344-K346 PolarHBondContact OD1-N 3.42Å; K346-C348 VanDerWaalsContact C-N 3.26Å; K346-C348 PolarHBondContact O-N 3.04Å; K346-A349 WeakPolarHBondContact O-CB 3.03Å; K346-A349 PolarHBondContact O-N 3.14Å; K346-A349 VanDerWaalsContact O-N 3.08Å; K346-D350 PolarHBondContact O-N 3.24Å; K346-A365 HydrophobicContact CB-CB 4.02Å
347	G	96.2	Very high	93.9	Very high	17 Å²	17	59.1 Å²	59.1	18%	0.175	32%	0.322	C	S	.	.	H	α-helix	trans	-60.1	-37.7	177.2	0	0	0	0	0	112.2	D344 D350 D351	D344-G347 PolarHBondContact OD1-N 3.44Å; D344-G347 WeakPolarHBondContact OD2-CA 3.35Å; D344-G347 PolarHBondContact OD2-N 2.94Å; G347-D350 PolarHBondContact O-N 3.41Å; G347-D351 PolarHBondContact O-N 2.76Å
348	C	96.8	Very high	93.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.4	-36.2	174.6	-65.6	0	0	0	0	112.9	V335 F339 D344 K346 D350 D351 C352 L361	V335-C348 HydrophobicContact CG1-CB 4.07Å; F339-C348 HydrophobicContact CB-CB 4.23Å; D344-C348 WeakPolarHBondContact O-CB 3.38Å; D344-C348 PolarHBondContact O-N 2.74Å; D344-C348 VanDerWaalsContact O-N 3.1Å; D344-C348 PolarHBondContact O-SG 3.43Å; K346-C348 VanDerWaalsContact C-N 3.26Å; K346-C348 PolarHBondContact O-N 3.04Å; C348-D350 VanDerWaalsContact C-N 3.34Å; C348-D351 PolarHBondContact O-N 2.93Å; C348-C352 VanDerWaalsContact O-CB 3.24Å; C348-C352 WeakPolarHBondContact O-CB 3.47Å; C348-C352 PolarHBondContact O-N 3.24Å; C348-L361 HydrophobicContact CB-CD1 4.03Å; C348-L361 HydrophobicContact CB-CD2 4.29Å
349	A	95.9	Very high	93.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-66.2	-36.6	176.7	0	0	0	0	0	112.6	A345 K346 D351 C352 K358 L361 L362	A345-A349 WeakPolarHBondContact O-CB 3.32Å; A345-A349 PolarHBondContact O-N 3.32Å; K346-A349 WeakPolarHBondContact O-CB 3.03Å; K346-A349 PolarHBondContact O-N 3.14Å; K346-A349 VanDerWaalsContact O-N 3.08Å; A349-D351 VanDerWaalsContact C-N 3.33Å; A349-C352 PolarHBondContact O-N 2.84Å; A349-K358 HydrophobicContact CB-CG 4.44Å; A349-K358 WeakPolarHBondContact O-CE 3.49Å; A349-K358 PolarHBondContact O-NZ 3.43Å; A349-L361 HydrophobicContact CB-CB 3.78Å; A349-L362 HydrophobicContact CB-CD2 3.72Å; A349-L362 HydrophobicContact CB-CG 3.89Å
350	D	94.5	Very high	93.9	Very high	106 Å²	106	54.1 Å²	54.1	57%	0.567	30%	0.301	S	S	*	.	H	α-helix	trans	-65.1	-39.2	177.9	-68.6	-23.7	0	0	0	110.9	K346 G347 C348 C352	K346-D350 PolarHBondContact O-N 3.24Å; G347-D350 PolarHBondContact O-N 3.41Å; C348-D350 VanDerWaalsContact C-N 3.34Å; D350-C352 VanDerWaalsContact C-N 3.34Å
351	D	91.3	Very high	94	Very high	99 Å²	99	48 Å²	48	53%	0.529	27%	0.269	S	S	.	.	H	α-helix	trans	-78.7	-12.8	174.7	-64.9	-27.8	0	0	0	113.9	K338 G347 C348 A349	K338-D351 IonicContact NZ-OD2 2.81Å; K338-D351 PolarHBondContact NZ-OD2 2.88Å; G347-D351 PolarHBondContact O-N 2.76Å; C348-D351 PolarHBondContact O-N 2.93Å; A349-D351 VanDerWaalsContact C-N 3.33Å
352	C	90.1	Very high	94.1	Very high	4 Å²	4	43.3 Å²	43.3	3%	0.027	25%	0.249	C	C	.	.	S	Bend	trans	-87	132.2	-176.8	-163.1	0	0	0	0	111	V335 C348 A349 D350 K358 L361	V335-C352 HydrophobicContact CG1-CB 4Å; C348-C352 VanDerWaalsContact O-CB 3.24Å; C348-C352 WeakPolarHBondContact O-CB 3.47Å; C348-C352 PolarHBondContact O-N 3.24Å; A349-C352 PolarHBondContact O-N 2.84Å; D350-C352 VanDerWaalsContact C-N 3.34Å; C352-K358 HydrophobicContact CB-CB 4.02Å; C352-K358 HydrophobicContact CB-CG 4.29Å; C352-K358 WeakPolarHBondContact O-CD 3.45Å; C352-K358 PolarHBondContact O-NZ 3.35Å; C352-L361 HydrophobicContact CB-CD1 4.35Å
353	P	86.7	Confident	94.2	Very high	60 Å²	60	40.1 Å²	40.1	39%	0.39	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-65.8	166.5	170.3	25.7	-29.2	0	0	0	111.6	F331 G355 K358	F331-P353 HydrophobicContact CD2-CG 3.8Å; F331-P353 HydrophobicContact CE2-CB 4.48Å; F331-P353 HydrophobicContact CE2-CG 3.13Å; F331-P353 HydrophobicContact CZ-CG 3.83Å; P353-G355 PolarHBondContact O-N 3.38Å; P353-K358 WeakPolarHBondContact O-CB 3.24Å
354	L	85.9	Confident	94.4	Very high	117 Å²	117	38.4 Å²	38.4	61%	0.613	21%	0.206	S	C	*	.	S	Bend	trans	-56.6	129.8	178.6	-68.4	169.5	0	0	0	110.5	K358	L354-K358 HydrophobicContact CD2-CD 4.2Å
355	G	87	Confident	94.4	Very high	3 Å²	3	37.2 Å²	37.2	3%	0.031	21%	0.206	C	C	.	.	S	Bend	trans	165.3	-171	176.8	0	0	0	0	0	114.1	P353 E357 K358 T359 L441 T443	P353-G355 PolarHBondContact O-N 3.38Å; G355-E357 VanDerWaalsContact C-N 3.3Å; G355-E357 PolarHBondContact O-N 3.01Å; G355-K358 PolarHBondContact O-N 3.43Å; G355-T359 WeakPolarHBondContact O-CB 3.4Å; G355-T359 PolarHBondContact O-N 2.85Å; G355-T359 PolarHBondContact O-OG1 3.48Å; G355-L441 WeakPolarHBondContact CA-O 3.44Å; G355-T443 PolarHBondContact N-OG1 3.29Å
356	I	90.9	Very high	94.4	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.036	23%	0.234	C	C	.	.	H	α-helix	trans	-66.3	-35.6	-176.2	67.9	164.9	0	0	0	111.2	T359 L360 L377 L381 V440 L441	I356-T359 PolarHBondContact O-N 2.81Å; I356-L360 VanDerWaalsContact O-CB 3.28Å; I356-L360 WeakPolarHBondContact O-CB 3.43Å; I356-L360 PolarHBondContact O-N 3.13Å; I356-L377 HydrophobicContact CB-CD2 4.05Å; I356-L381 HydrophobicContact CB-CD2 4.01Å; I356-L381 HydrophobicContact CD1-CD2 3.96Å; I356-L381 HydrophobicContact CG2-CD2 3.52Å; I356-V440 VanDerWaalsContact CG2-O 3.3Å; I356-V440 WeakPolarHBondContact CG2-O 3.22Å; I356-L441 HydrophobicContact CB-CD2 4.42Å; I356-L441 HydrophobicContact CD1-CD2 3.26Å; I356-L441 HydrophobicContact CG1-CD2 3.44Å; I356-L441 VanDerWaalsContact CG1-CD2 3.44Å; I356-L441 HydrophobicContact CG2-CD2 4.19Å
357	E	94.4	Very high	94.5	Very high	14 Å²	14	41.3 Å²	41.3	7%	0.065	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-48.5	178.3	-73.5	81	177.8	0	0	110.8	L322 L332 K336 G355 T359 L360 L361	L322-E357 HydrophobicContact CD2-CB 4.19Å; L322-E357 HydrophobicContact CD2-CG 3.95Å; L332-E357 HydrophobicContact CD1-CB 3.99Å; L332-E357 HydrophobicContact CD1-CG 3.89Å; L332-E357 HydrophobicContact CD2-CG 4.41Å; L332-E357 HydrophobicContact CG-CG 4.45Å; K336-E357 VanDerWaalsContact CE-OE1 3.26Å; K336-E357 WeakPolarHBondContact CE-OE1 3.47Å; K336-E357 IonicContact NZ-OE1 3.96Å; K336-E357 PolarHBondContact NZ-OE1 3.24Å; G355-E357 VanDerWaalsContact C-N 3.3Å; G355-E357 PolarHBondContact O-N 3.01Å; E357-T359 VanDerWaalsContact C-N 3.32Å; E357-T359 PolarHBondContact O-N 3.22Å; E357-L360 PolarHBondContact O-N 2.84Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 WeakPolarHBondContact O-CG 3.33Å; E357-L361 PolarHBondContact O-N 2.86Å
358	K	95.6	Very high	94.6	Very high	44 Å²	44	42 Å²	42	19%	0.191	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-46.1	175.5	-172	-175.7	-169	104.4	0	111	A349 C352 P353 L354 G355 L360 L361 L362	A349-K358 HydrophobicContact CB-CG 4.44Å; A349-K358 WeakPolarHBondContact O-CE 3.49Å; A349-K358 PolarHBondContact O-NZ 3.43Å; C352-K358 HydrophobicContact CB-CB 4.02Å; C352-K358 HydrophobicContact CB-CG 4.29Å; C352-K358 WeakPolarHBondContact O-CD 3.45Å; C352-K358 PolarHBondContact O-NZ 3.35Å; P353-K358 WeakPolarHBondContact O-CB 3.24Å; L354-K358 HydrophobicContact CD2-CD 4.2Å; G355-K358 PolarHBondContact O-N 3.43Å; K358-L360 VanDerWaalsContact C-N 3.31Å; K358-L360 PolarHBondContact O-N 2.82Å; K358-L361 PolarHBondContact O-N 3.42Å; K358-L362 HydrophobicContact CG-CD1 4.24Å; K358-L362 WeakPolarHBondContact O-CB 3.15Å; K358-L362 VanDerWaalsContact O-CG 3.29Å; K358-L362 WeakPolarHBondContact O-CG 3.39Å; K358-L362 PolarHBondContact O-N 3.41Å
359	T	96.1	Very high	94.6	Very high	29 Å²	29	45.9 Å²	45.9	18%	0.178	25%	0.246	C	C	.	.	H	α-helix	trans	-58.5	-44.6	178	-58.2	0	0	0	0	111.4	G355 I356 E357 G363 M376 L377	G355-T359 WeakPolarHBondContact O-CB 3.4Å; G355-T359 PolarHBondContact O-N 2.85Å; G355-T359 PolarHBondContact O-OG1 3.48Å; I356-T359 PolarHBondContact O-N 2.81Å; E357-T359 VanDerWaalsContact C-N 3.32Å; E357-T359 PolarHBondContact O-N 3.22Å; T359-G363 PolarHBondContact O-N 2.95Å; T359-M376 HydrophobicContact CG2-CB 4.08Å; T359-M376 VanDerWaalsContact CG2-O 3.26Å; T359-M376 WeakPolarHBondContact CG2-O 3.28Å; T359-L377 HydrophobicContact CG2-CD2 4.35Å
360	L	97.4	Very high	94.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.1	-43.4	179.3	-172	56.2	0	0	0	112	I318 I321 L322 I356 E357 K358 G363 I364 L377	I318-L360 HydrophobicContact CG1-CD1 4.29Å; I318-L360 HydrophobicContact CG2-CD2 4.44Å; I321-L360 HydrophobicContact CB-CD2 4.03Å; I321-L360 HydrophobicContact CD1-CD2 4.21Å; I321-L360 HydrophobicContact CG2-CD2 3.61Å; L322-L360 HydrophobicContact CD1-CD2 4.15Å; L322-L360 HydrophobicContact CD1-CG 4.37Å; L322-L360 HydrophobicContact CD2-CD2 4.16Å; L322-L360 HydrophobicContact CG-CD2 3.9Å; I356-L360 VanDerWaalsContact O-CB 3.28Å; I356-L360 WeakPolarHBondContact O-CB 3.43Å; I356-L360 PolarHBondContact O-N 3.13Å; E357-L360 PolarHBondContact O-N 2.84Å; K358-L360 VanDerWaalsContact C-N 3.31Å; K358-L360 PolarHBondContact O-N 2.82Å; L360-G363 CarbonylContact O-C 3.13Å; L360-G363 WeakPolarHBondContact O-CA 3.4Å; L360-G363 PolarHBondContact O-N 3.3Å; L360-G363 VanDerWaalsContact O-N 3.08Å; L360-I364 HydrophobicContact CG-CD1 4.21Å; L360-I364 VanDerWaalsContact O-CG1 3.31Å; L360-I364 WeakPolarHBondContact O-CG1 3.28Å; L360-I364 PolarHBondContact O-N 2.87Å; L360-L377 HydrophobicContact CB-CD2 4.13Å; L360-L377 HydrophobicContact CD1-CD1 4.29Å; L360-L377 HydrophobicContact CD1-CG 4.36Å
361	L	98.2	Very high	94.9	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-43.5	176.8	-72.8	167.5	0	0	0	111.5	L322 V335 F339 A345 C348 A349 C352 E357 K358 G363 I364 A365	L322-L361 HydrophobicContact CD1-CD2 3.92Å; L322-L361 HydrophobicContact CD1-CG 4.4Å; V335-L361 HydrophobicContact CG1-CD1 4.07Å; F339-L361 HydrophobicContact CB-CD2 4.26Å; F339-L361 HydrophobicContact CD1-CD2 4.02Å; F339-L361 HydrophobicContact CD2-CD2 3.74Å; F339-L361 HydrophobicContact CE1-CD2 4.31Å; F339-L361 HydrophobicContact CE2-CD2 4.07Å; F339-L361 HydrophobicContact CG-CD2 3.71Å; F339-L361 HydrophobicContact CZ-CD2 4.34Å; A345-L361 HydrophobicContact CB-CD2 4.43Å; C348-L361 HydrophobicContact CB-CD1 4.03Å; C348-L361 HydrophobicContact CB-CD2 4.29Å; A349-L361 HydrophobicContact CB-CB 3.78Å; C352-L361 HydrophobicContact CB-CD1 4.35Å; E357-L361 WeakPolarHBondContact O-CB 3.42Å; E357-L361 WeakPolarHBondContact O-CG 3.33Å; E357-L361 PolarHBondContact O-N 2.86Å; K358-L361 PolarHBondContact O-N 3.42Å; L361-G363 VanDerWaalsContact C-N 3.28Å; L361-G363 PolarHBondContact O-N 2.73Å; L361-I364 PolarHBondContact O-N 3.24Å; L361-A365 WeakPolarHBondContact O-CB 3.42Å; L361-A365 PolarHBondContact O-N 2.9Å
362	L	97.9	Very high	95.2	Very high	71 Å²	71	46.7 Å²	46.7	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-60.4	-38.8	171.9	-70.4	174	0	0	0	111.8	A349 K358 A365 K366 M376	A349-L362 HydrophobicContact CB-CD2 3.72Å; A349-L362 HydrophobicContact CB-CG 3.89Å; K358-L362 HydrophobicContact CG-CD1 4.24Å; K358-L362 WeakPolarHBondContact O-CB 3.15Å; K358-L362 VanDerWaalsContact O-CG 3.29Å; K358-L362 WeakPolarHBondContact O-CG 3.39Å; K358-L362 PolarHBondContact O-N 3.41Å; L362-A365 PolarHBondContact O-N 3.17Å; L362-K366 WeakPolarHBondContact O-CB 3.42Å; L362-K366 PolarHBondContact O-N 2.91Å; L362-K366 VanDerWaalsContact O-N 3.13Å; L362-M376 HydrophobicContact CB-CE 4.26Å
363	G	97.7	Very high	95.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-40.9	174.1	0	0	0	0	0	113.7	T359 L360 L361 K366 Y367 A373 M376	T359-G363 PolarHBondContact O-N 2.95Å; L360-G363 CarbonylContact O-C 3.13Å; L360-G363 WeakPolarHBondContact O-CA 3.4Å; L360-G363 PolarHBondContact O-N 3.3Å; L360-G363 VanDerWaalsContact O-N 3.08Å; L361-G363 VanDerWaalsContact C-N 3.28Å; L361-G363 PolarHBondContact O-N 2.73Å; G363-K366 PolarHBondContact O-N 2.91Å; G363-Y367 WeakPolarHBondContact O-CB 3.18Å; G363-Y367 WeakPolarHBondContact O-CD2 3.29Å; G363-Y367 PolarHBondContact O-N 2.99Å; G363-A373 VanDerWaalsContact C-CB 3.48Å; G363-M376 WeakPolarHBondContact CA-SD 3.37Å
364	I	98.1	Very high	96.1	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.082	23%	0.226	C	C	.	.	H	α-helix	trans	-66	-44	175.4	-64.4	162.7	0	0	0	110.3	I318 L322 F339 A345 L360 L361 K366 Y367 G368 K369 A373	I318-I364 HydrophobicContact CG2-CD1 3.5Å; I318-I364 VanDerWaalsContact CG2-CD1 3.5Å; I318-I364 HydrophobicContact CG2-CG1 4.14Å; L322-I364 HydrophobicContact CD1-CD1 3.51Å; F339-I364 HydrophobicContact CE1-CD1 4.29Å; F339-I364 HydrophobicContact CZ-CD1 3.97Å; F339-I364 HydrophobicContact CZ-CG2 4.31Å; A345-I364 HydrophobicContact CB-CB 3.93Å; A345-I364 HydrophobicContact CB-CG2 3.71Å; L360-I364 HydrophobicContact CG-CD1 4.21Å; L360-I364 VanDerWaalsContact O-CG1 3.31Å; L360-I364 WeakPolarHBondContact O-CG1 3.28Å; L360-I364 PolarHBondContact O-N 2.87Å; L361-I364 PolarHBondContact O-N 3.24Å; I364-K366 PolarHBondContact O-N 3.17Å; I364-Y367 PolarHBondContact O-N 2.95Å; I364-G368 WeakPolarHBondContact O-CA 3.12Å; I364-G368 PolarHBondContact O-N 2.8Å; I364-K369 HydrophobicContact CG2-CG 4.26Å; I364-A373 HydrophobicContact CG1-CB 4.22Å
365	A	97.9	Very high	96.6	Very high	52 Å²	52	42.1 Å²	42.1	43%	0.43	22%	0.216	S	C	.	.	H	α-helix	trans	-59	-33.5	177.3	0	0	0	0	0	112.3	A345 K346 L361 L362	A345-A365 HydrophobicContact CB-CB 4.08Å; K346-A365 HydrophobicContact CB-CB 4.02Å; L361-A365 WeakPolarHBondContact O-CB 3.42Å; L361-A365 PolarHBondContact O-N 2.9Å; L362-A365 PolarHBondContact O-N 3.17Å
366	K	97.9	Very high	97	Very high	145 Å²	145	45.4 Å²	45.4	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-88.5	-35.9	-178.4	-169.3	173.7	178.1	-172.3	0	114.2	L362 G363 I364	L362-K366 WeakPolarHBondContact O-CB 3.42Å; L362-K366 PolarHBondContact O-N 2.91Å; L362-K366 VanDerWaalsContact O-N 3.13Å; G363-K366 PolarHBondContact O-N 2.91Å; I364-K366 PolarHBondContact O-N 3.17Å
367	Y	97.9	Very high	97.1	Very high	81 Å²	81	45.3 Å²	45.3	32%	0.318	23%	0.23	S	C	.	.	H	α-helix	trans	-128.8	3.7	-168.5	-52.2	-64	0	0	0	114.5	G363 I364 T370 K372 M376	G363-Y367 WeakPolarHBondContact O-CB 3.18Å; G363-Y367 WeakPolarHBondContact O-CD2 3.29Å; G363-Y367 PolarHBondContact O-N 2.99Å; I364-Y367 PolarHBondContact O-N 2.95Å; Y367-T370 WeakPolarHBondContact O-CG2 3.45Å; Y367-T370 PolarHBondContact O-OG1 3.45Å; Y367-K372 HydrophobicContact CD1-CB 4.08Å; Y367-K372 HydrophobicContact CD1-CD 3.94Å; Y367-K372 HydrophobicContact CD2-CB 3.77Å; Y367-K372 HydrophobicContact CE1-CD 4.27Å; Y367-K372 HydrophobicContact CE2-CB 4.31Å; Y367-K372 HydrophobicContact CG-CB 3.63Å; Y367-K372 HydrophobicContact CG-CD 4.33Å; Y367-M376 HydrophobicContact CD2-SD 4.16Å; Y367-M376 HydrophobicContact CE2-CG 4.22Å; Y367-M376 HydrophobicContact CE2-SD 3.69Å
368	G	97.7	Very high	96.9	Very high	32 Å²	32	47.1 Å²	47.1	33%	0.33	24%	0.244	S	C	.	.			trans	64.3	-170.3	-168.9	0	0	0	0	0	112.6	I364 T370 A373	I364-G368 WeakPolarHBondContact O-CA 3.12Å; I364-G368 PolarHBondContact O-N 2.8Å; G368-T370 PolarHBondContact O-N 2.96Å; G368-A373 VanDerWaalsContact O-CB 3.26Å; G368-A373 WeakPolarHBondContact O-CB 3.46Å
369	K	97.8	Very high	96.5	Very high	81 Å²	81	49.5 Å²	49.5	35%	0.352	25%	0.251	S	S	.	.	S	Bend	trans	-76.6	58.9	177.7	-63.1	-174.2	-177.1	175.2	0	112.4	A315 I318 D319 I364	A315-K369 HydrophobicContact CB-CB 4.02Å; A315-K369 HydrophobicContact CB-CD 4.27Å; I318-K369 HydrophobicContact CD1-CB 3.88Å; I318-K369 HydrophobicContact CD1-CG 4.4Å; I318-K369 HydrophobicContact CG2-CD 4.39Å; I318-K369 HydrophobicContact CG2-CG 4.19Å; D319-K369 WeakPolarHBondContact OD1-CD 3.35Å; D319-K369 WeakPolarHBondContact OD1-CE 3.24Å; D319-K369 IonicContact OD1-NZ 2.85Å; D319-K369 PolarHBondContact OD1-NZ 2.89Å; D319-K369 IonicContact OD2-NZ 2.62Å; D319-K369 PolarHBondContact OD2-NZ 2.87Å; I364-K369 HydrophobicContact CG2-CG 4.26Å
370	T	98.1	Very high	95.9	Very high	58 Å²	58	50 Å²	50	36%	0.356	25%	0.253	S	S	.	.	S	Bend	trans	-114.8	171.1	-175.4	65	0	0	0	0	112	Y367 G368 K372 A373 I374	Y367-T370 WeakPolarHBondContact O-CG2 3.45Å; Y367-T370 PolarHBondContact O-OG1 3.45Å; G368-T370 PolarHBondContact O-N 2.96Å; T370-K372 PolarHBondContact O-N 3.01Å; T370-K372 VanDerWaalsContact O-N 3.15Å; T370-A373 WeakPolarHBondContact O-CB 3.24Å; T370-A373 PolarHBondContact O-N 2.82Å; T370-I374 PolarHBondContact O-N 3.12Å
371	L	97.6	Very high	95.5	Very high	36 Å²	36	50.4 Å²	50.4	19%	0.188	26%	0.255	C	S	.	.	H	α-helix	trans	-50.3	-37.3	172.6	175.3	62.3	0	0	0	112.7	W314 A373 I374 Q375 V516 F519	W314-L371 HydrophobicContact CD2-CB 4.12Å; W314-L371 HydrophobicContact CD2-CD1 4.44Å; W314-L371 HydrophobicContact CE3-CD1 4.29Å; W314-L371 HydrophobicContact CG-CB 4.34Å; W314-L371 HydrophobicContact CH2-CD1 3.96Å; W314-L371 HydrophobicContact CZ2-CB 4.33Å; W314-L371 HydrophobicContact CZ2-CD1 4.1Å; W314-L371 HydrophobicContact CZ2-CD2 4.42Å; W314-L371 HydrophobicContact CZ3-CD1 4.06Å; L371-A373 VanDerWaalsContact C-N 3.3Å; L371-A373 PolarHBondContact O-N 3.49Å; L371-I374 PolarHBondContact O-N 3.19Å; L371-Q375 HydrophobicContact CD1-CG 4.04Å; L371-Q375 HydrophobicContact CG-CG 4.12Å; L371-Q375 WeakPolarHBondContact O-CB 3.42Å; L371-Q375 WeakPolarHBondContact O-CG 3.48Å; L371-Q375 PolarHBondContact O-N 2.82Å; L371-V516 HydrophobicContact CD1-CG1 4.38Å; L371-V516 HydrophobicContact CD1-CG2 4.2Å; L371-V516 HydrophobicContact CD2-CG2 3.52Å; L371-F519 HydrophobicContact CD1-CE2 3.82Å; L371-F519 HydrophobicContact CD1-CZ 4.46Å
372	K	98	Very high	95.3	Very high	127 Å²	127	51.2 Å²	51.2	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-64.4	-33.4	-179	-69.4	-178	179.9	177.7	0	112.6	Y367 T370 Q375 M376	Y367-K372 HydrophobicContact CD1-CB 4.08Å; Y367-K372 HydrophobicContact CD1-CD 3.94Å; Y367-K372 HydrophobicContact CD2-CB 3.77Å; Y367-K372 HydrophobicContact CE1-CD 4.27Å; Y367-K372 HydrophobicContact CE2-CB 4.31Å; Y367-K372 HydrophobicContact CG-CB 3.63Å; Y367-K372 HydrophobicContact CG-CD 4.33Å; T370-K372 PolarHBondContact O-N 3.01Å; T370-K372 VanDerWaalsContact O-N 3.15Å; K372-Q375 PolarHBondContact O-N 2.85Å; K372-M376 PolarHBondContact O-N 3.37Å
373	A	98	Very high	95.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-43.9	173.9	0	0	0	0	0	111.1	I318 G363 I364 G368 T370 L371 Q375 M376	I318-A373 HydrophobicContact CD1-CB 4.22Å; G363-A373 VanDerWaalsContact C-CB 3.48Å; I364-A373 HydrophobicContact CG1-CB 4.22Å; G368-A373 VanDerWaalsContact O-CB 3.26Å; G368-A373 WeakPolarHBondContact O-CB 3.46Å; T370-A373 WeakPolarHBondContact O-CB 3.24Å; T370-A373 PolarHBondContact O-N 2.82Å; L371-A373 VanDerWaalsContact C-N 3.3Å; L371-A373 PolarHBondContact O-N 3.49Å; A373-Q375 VanDerWaalsContact C-N 3.32Å; A373-Q375 PolarHBondContact O-N 3.1Å; A373-M376 WeakPolarHBondContact O-CB 3.35Å; A373-M376 PolarHBondContact O-N 2.86Å
374	I	97.6	Very high	94.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-44.8	174.6	-63.1	165.9	0	0	0	109.8	L309 W314 I318 T370 L371 M376 L377 R382 F519	L309-I374 HydrophobicContact CD2-CD1 3.7Å; L309-I374 HydrophobicContact CD2-CG2 4.16Å; W314-I374 HydrophobicContact CB-CD1 3.84Å; W314-I374 HydrophobicContact CD2-CD1 4.19Å; W314-I374 HydrophobicContact CE3-CD1 3.58Å; W314-I374 HydrophobicContact CG-CD1 4.34Å; I318-I374 HydrophobicContact CD1-CD1 4.27Å; I318-I374 HydrophobicContact CD1-CG1 3.92Å; I318-I374 HydrophobicContact CG1-CD1 4.09Å; I318-I374 HydrophobicContact CG1-CG1 3.74Å; T370-I374 PolarHBondContact O-N 3.12Å; L371-I374 PolarHBondContact O-N 3.19Å; I374-M376 PolarHBondContact O-N 3.42Å; I374-L377 WeakPolarHBondContact O-CB 3.1Å; I374-L377 WeakPolarHBondContact O-CG 3.25Å; I374-L377 PolarHBondContact O-N 3.46Å; I374-R382 HydrophobicContact CG2-CG 4.22Å; I374-R382 VanDerWaalsContact O-CD 3.28Å; I374-R382 WeakPolarHBondContact O-CD 3.41Å; I374-F519 HydrophobicContact CG2-CZ 4.2Å
375	Q	96.6	Very high	94.7	Very high	84 Å²	84	48.5 Å²	48.5	39%	0.393	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.6	-179.9	-76.3	176.5	-35.8	0	0	115	L371 K372 A373 L377	L371-Q375 HydrophobicContact CD1-CG 4.04Å; L371-Q375 HydrophobicContact CG-CG 4.12Å; L371-Q375 WeakPolarHBondContact O-CB 3.42Å; L371-Q375 WeakPolarHBondContact O-CG 3.48Å; L371-Q375 PolarHBondContact O-N 2.82Å; K372-Q375 PolarHBondContact O-N 2.85Å; A373-Q375 VanDerWaalsContact C-N 3.32Å; A373-Q375 PolarHBondContact O-N 3.1Å; Q375-L377 VanDerWaalsContact C-N 3.26Å
376	M	95.5	Very high	94.6	Very high	72 Å²	72	46 Å²	46	36%	0.355	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.6	168.1	-70.7	-169.9	50.7	0	0	112.7	T359 L362 G363 Y367 K372 A373 I374	T359-M376 HydrophobicContact CG2-CB 4.08Å; T359-M376 VanDerWaalsContact CG2-O 3.26Å; T359-M376 WeakPolarHBondContact CG2-O 3.28Å; L362-M376 HydrophobicContact CB-CE 4.26Å; G363-M376 WeakPolarHBondContact CA-SD 3.37Å; Y367-M376 HydrophobicContact CD2-SD 4.16Å; Y367-M376 HydrophobicContact CE2-CG 4.22Å; Y367-M376 HydrophobicContact CE2-SD 3.69Å; K372-M376 PolarHBondContact O-N 3.37Å; A373-M376 WeakPolarHBondContact O-CB 3.35Å; A373-M376 PolarHBondContact O-N 2.86Å; I374-M376 PolarHBondContact O-N 3.42Å
377	L	94	Very high	94.5	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-68.9	146.7	172.5	-62.2	176.6	0	0	0	111.2	I321 I356 T359 L360 I374 Q375 R379 L381 R382	I321-L377 HydrophobicContact CD1-CD1 4.38Å; I356-L377 HydrophobicContact CB-CD2 4.05Å; T359-L377 HydrophobicContact CG2-CD2 4.35Å; L360-L377 HydrophobicContact CB-CD2 4.13Å; L360-L377 HydrophobicContact CD1-CD1 4.29Å; L360-L377 HydrophobicContact CD1-CG 4.36Å; I374-L377 WeakPolarHBondContact O-CB 3.1Å; I374-L377 WeakPolarHBondContact O-CG 3.25Å; I374-L377 PolarHBondContact O-N 3.46Å; Q375-L377 VanDerWaalsContact C-N 3.26Å; L377-R379 PolarHBondContact O-N 3.48Å; L377-L381 HydrophobicContact CB-CD2 4.41Å; L377-L381 HydrophobicContact CD1-CD2 4.34Å; L377-L381 HydrophobicContact CD2-CD2 4.28Å; L377-R382 HydrophobicContact CB-CG 3.91Å; L377-R382 PolarHBondContact O-NE 3.23Å
378	P	89.3	Confident	94.4	Very high	53 Å²	53	36 Å²	36	34%	0.344	18%	0.18	S	C	.	.			trans	-51.5	138.4	174.4	-26.5	34.5	0	0	0	112.2	N380 L381 R382 T443	P378-N380 VanDerWaalsContact C-N 3.28Å; P378-N380 PolarHBondContact O-N 2.89Å; P378-L381 WeakPolarHBondContact O-CB 3.42Å; P378-L381 PolarHBondContact O-N 2.92Å; P378-L381 VanDerWaalsContact O-N 3.1Å; P378-R382 PolarHBondContact O-N 3.09Å; P378-T443 HydrophobicContact CG-CG2 4.49Å
379	R	87.7	Confident	94.4	Very high	93 Å²	93	34.6 Å²	34.6	35%	0.351	17%	0.165	S	C	.	.	H	α-helix	trans	-52.2	-44.7	-177	-177.4	178.5	-179.6	-93.6	-4	112.8	L377 L381 R382 Q383 D518	L377-R379 PolarHBondContact O-N 3.48Å; R379-L381 VanDerWaalsContact C-N 3.34Å; R379-L381 PolarHBondContact O-N 3.06Å; R379-R382 WeakPolarHBondContact O-CB 3.29Å; R379-R382 PolarHBondContact O-N 2.94Å; R379-R382 VanDerWaalsContact O-N 3.16Å; R379-Q383 PolarHBondContact O-N 3.26Å; R379-D518 IonicContact CZ-OD1 3.53Å; R379-D518 IonicContact NE-OD1 3.77Å; R379-D518 PolarHBondContact NE-OD1 3.47Å; R379-D518 IonicContact NH2-OD1 3.64Å
380	N	84	Confident	94.4	Very high	40 Å²	40	31 Å²	31	21%	0.214	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-41.1	-179.2	-75.4	47.3	0	0	0	112.9	P378 R382 Q383 L384 I434 S449	P378-N380 VanDerWaalsContact C-N 3.28Å; P378-N380 PolarHBondContact O-N 2.89Å; N380-R382 VanDerWaalsContact C-N 3.3Å; N380-R382 PolarHBondContact O-N 3.08Å; N380-Q383 PolarHBondContact O-N 2.87Å; N380-L384 WeakPolarHBondContact O-CB 3.33Å; N380-L384 PolarHBondContact O-N 2.9Å; N380-I434 HydrophobicContact CB-CG2 4.38Å; N380-S449 VanDerWaalsContact CG-OG 3.3Å; N380-S449 WeakPolarHBondContact ND2-CB 3.46Å; N380-S449 PolarHBondContact ND2-OG 3.5Å; N380-S449 VanDerWaalsContact OD1-CB 3.32Å; N380-S449 WeakPolarHBondContact OD1-CB 3.4Å; N380-S449 PolarHBondContact OD1-OG 3.37Å
381	L	87.9	Confident	94.4	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-39.7	177.1	-179.3	63.2	0	0	0	111.2	I356 L377 P378 R379 L384 Y385 V440	I356-L381 HydrophobicContact CB-CD2 4.01Å; I356-L381 HydrophobicContact CD1-CD2 3.96Å; I356-L381 HydrophobicContact CG2-CD2 3.52Å; L377-L381 HydrophobicContact CB-CD2 4.41Å; L377-L381 HydrophobicContact CD1-CD2 4.34Å; L377-L381 HydrophobicContact CD2-CD2 4.28Å; P378-L381 WeakPolarHBondContact O-CB 3.42Å; P378-L381 PolarHBondContact O-N 2.92Å; P378-L381 VanDerWaalsContact O-N 3.1Å; R379-L381 VanDerWaalsContact C-N 3.34Å; R379-L381 PolarHBondContact O-N 3.06Å; L381-L384 HydrophobicContact CD1-CD2 4.22Å; L381-L384 WeakPolarHBondContact O-CB 3.42Å; L381-L384 PolarHBondContact O-N 3.32Å; L381-Y385 HydrophobicContact CD1-CE2 4.18Å; L381-Y385 HydrophobicContact CG-CE2 3.95Å; L381-Y385 VanDerWaalsContact O-CD2 3.25Å; L381-Y385 WeakPolarHBondContact O-CD2 3.34Å; L381-Y385 PolarHBondContact O-N 3.2Å; L381-V440 HydrophobicContact CB-CG1 4.12Å; L381-V440 HydrophobicContact CD1-CG1 4.47Å; L381-V440 HydrophobicContact CD2-CG1 4.44Å
382	R	93.7	Very high	94.4	Very high	20 Å²	20	27.9 Å²	27.9	8%	0.075	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-42.8	177.1	-64.9	-170.7	-77.7	129.7	3.6	111.9	I374 L377 P378 R379 N380 D518 F519	I374-R382 HydrophobicContact CG2-CG 4.22Å; I374-R382 VanDerWaalsContact O-CD 3.28Å; I374-R382 WeakPolarHBondContact O-CD 3.41Å; L377-R382 HydrophobicContact CB-CG 3.91Å; L377-R382 PolarHBondContact O-NE 3.23Å; P378-R382 PolarHBondContact O-N 3.09Å; R379-R382 WeakPolarHBondContact O-CB 3.29Å; R379-R382 PolarHBondContact O-N 2.94Å; R379-R382 VanDerWaalsContact O-N 3.16Å; N380-R382 VanDerWaalsContact C-N 3.3Å; N380-R382 PolarHBondContact O-N 3.08Å; R382-D518 IonicContact CZ-OD2 2.69Å; R382-D518 IonicContact NH1-OD2 2.9Å; R382-D518 PolarHBondContact NH1-OD2 2.82Å; R382-D518 IonicContact NH2-OD2 3.81Å; R382-D518 PolarHBondContact NH2-OD2 3.28Å; R382-F519 HydrophobicContact CB-CE1 4.03Å
383	Q	93.4	Very high	94.5	Very high	10 Å²	10	21.9 Å²	21.9	5%	0.047	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-39.9	174.9	-73.9	-176.3	-71.4	0	0	112.1	R379 N380 Y385 V386 H387 E431 I434	R379-Q383 PolarHBondContact O-N 3.26Å; N380-Q383 PolarHBondContact O-N 2.87Å; Q383-Y385 VanDerWaalsContact C-N 3.27Å; Q383-Y385 PolarHBondContact O-N 3.02Å; Q383-V386 WeakPolarHBondContact O-CG2 3.28Å; Q383-V386 PolarHBondContact O-N 3.16Å; Q383-V386 VanDerWaalsContact O-N 3.14Å; Q383-H387 PolarHBondContact O-CD2 3.25Å; Q383-H387 PolarHBondContact O-N 2.82Å; Q383-E431 PolarHBondContact NE2-OE2 3.49Å; Q383-I434 HydrophobicContact CB-CD1 3.6Å; Q383-I434 HydrophobicContact CG-CD1 4.35Å
384	L	91.3	Very high	94.5	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.037	10%	0.104	C	C	.	.	H	α-helix	trans	-55.1	-40.7	-179.4	-179.2	63.9	0	0	0	112.8	N380 L381 S388 I434 F436	N380-L384 WeakPolarHBondContact O-CB 3.33Å; N380-L384 PolarHBondContact O-N 2.9Å; L381-L384 HydrophobicContact CD1-CD2 4.22Å; L381-L384 WeakPolarHBondContact O-CB 3.42Å; L381-L384 PolarHBondContact O-N 3.32Å; L384-S388 VanDerWaalsContact O-CB 3.29Å; L384-S388 WeakPolarHBondContact O-CB 3.29Å; L384-S388 PolarHBondContact O-N 3.43Å; L384-I434 HydrophobicContact CB-CG2 4.16Å; L384-I434 HydrophobicContact CD1-CG2 4.29Å; L384-I434 WeakPolarHBondContact CD1-O 3.46Å; L384-F436 HydrophobicContact CD1-CB 4.12Å; L384-F436 HydrophobicContact CD1-CD2 4.22Å; L384-F436 HydrophobicContact CD2-CB 3.99Å; L384-F436 HydrophobicContact CD2-CD2 3.35Å; L384-F436 HydrophobicContact CD2-CE2 3.99Å; L384-F436 HydrophobicContact CD2-CG 3.88Å; L384-F436 HydrophobicContact CG-CD2 3.87Å
385	Y	96	Very high	94.5	Very high	14 Å²	14	21.8 Å²	21.8	6%	0.055	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-49.8	176.1	-68	-54.5	0	0	0	112.5	I305 G306 L309 I321 L381 Q383 S388 Y389	I305-Y385 HydrophobicContact CB-CD1 3.73Å; I305-Y385 HydrophobicContact CB-CE1 4.17Å; I305-Y385 HydrophobicContact CB-CG 4.08Å; I305-Y385 HydrophobicContact CD1-CD1 3.9Å; I305-Y385 HydrophobicContact CD1-CE1 3.46Å; I305-Y385 VanDerWaalsContact CD1-CE1 3.46Å; I305-Y385 HydrophobicContact CG1-CD1 4.41Å; I305-Y385 HydrophobicContact CG1-CE1 4.4Å; I305-Y385 HydrophobicContact CG2-CD1 3.63Å; I305-Y385 HydrophobicContact CG2-CD2 3.83Å; I305-Y385 HydrophobicContact CG2-CE1 4Å; I305-Y385 HydrophobicContact CG2-CE2 4.17Å; I305-Y385 HydrophobicContact CG2-CG 3.56Å; G306-Y385 VanDerWaalsContact CA-C 3.48Å; G306-Y385 WeakPolarHBondContact CA-O 3.33Å; L309-Y385 HydrophobicContact CD1-CD2 4.02Å; L309-Y385 HydrophobicContact CD1-CG 4.21Å; I321-Y385 HydrophobicContact CD1-CE2 3.94Å; I321-Y385 HydrophobicContact CG1-CE2 4.31Å; L381-Y385 HydrophobicContact CD1-CE2 4.18Å; L381-Y385 HydrophobicContact CG-CE2 3.95Å; L381-Y385 VanDerWaalsContact O-CD2 3.25Å; L381-Y385 WeakPolarHBondContact O-CD2 3.34Å; L381-Y385 PolarHBondContact O-N 3.2Å; Q383-Y385 VanDerWaalsContact C-N 3.27Å; Q383-Y385 PolarHBondContact O-N 3.02Å; Y385-S388 VanDerWaalsContact O-CB 3.29Å; Y385-S388 WeakPolarHBondContact O-CB 3.31Å; Y385-S388 PolarHBondContact O-N 2.93Å; Y385-Y389 PolarHBondContact O-N 3.39Å
386	V	96.7	Very high	94.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.7	-35.2	-178.1	-62.8	0	0	0	0	112.1	L309 I310 Q383 S388 Y389 Q390 F519 L521	L309-V386 HydrophobicContact CB-CG1 3.83Å; L309-V386 HydrophobicContact CD1-CG1 4.16Å; I310-V386 HydrophobicContact CD1-CB 4.29Å; I310-V386 HydrophobicContact CD1-CG1 4.36Å; I310-V386 HydrophobicContact CG1-CB 4.21Å; I310-V386 HydrophobicContact CG1-CG1 3.85Å; Q383-V386 WeakPolarHBondContact O-CG2 3.28Å; Q383-V386 PolarHBondContact O-N 3.16Å; Q383-V386 VanDerWaalsContact O-N 3.14Å; V386-S388 VanDerWaalsContact C-N 3.34Å; V386-Y389 PolarHBondContact O-N 3.08Å; V386-Q390 PolarHBondContact O-N 3.48Å; V386-F519 HydrophobicContact CG1-CB 4.32Å; V386-F519 HydrophobicContact CG1-CD1 3.72Å; V386-F519 HydrophobicContact CG1-CE1 4.45Å; V386-F519 HydrophobicContact CG1-CG 4.3Å; V386-F519 HydrophobicContact CG2-CD1 4.38Å; V386-L521 HydrophobicContact CB-CD1 4.09Å; V386-L521 HydrophobicContact CB-CD2 4.39Å; V386-L521 HydrophobicContact CG2-CD1 4.47Å; V386-L521 HydrophobicContact CG2-CD2 3.88Å
387	H	95.3	Very high	94.8	Very high	14 Å²	14	16.3 Å²	16.3	7%	0.065	8%	0.076	C	C	.	.	H	α-helix	trans	-68.3	-32.3	172	-68.5	-55	0	0	0	112.8	Q383 Y389 Q390 S391	Q383-H387 PolarHBondContact O-CD2 3.25Å; Q383-H387 PolarHBondContact O-N 2.82Å; H387-Y389 VanDerWaalsContact C-N 3.26Å; H387-Y389 PolarHBondContact O-N 2.83Å; H387-Q390 PolarHBondContact ND1-OE1 3.04Å; H387-Q390 PolarHBondContact O-N 2.88Å; H387-S391 WeakPolarHBondContact O-CB 3.39Å; H387-S391 PolarHBondContact O-N 3.16Å; H387-S391 PolarHBondContact O-OG 3.15Å
388	S	96.4	Very high	95	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.2	-39.1	171.9	-166.1	0	0	0	0	110.9	R293 F294 S302 F303 L384 Y385 V386 S391 F392	R293-S388 WeakPolarHBondContact O-CB 3.4Å; R293-S388 PolarHBondContact O-OG 2.91Å; F294-S388 WeakPolarHBondContact CD1-OG 3.4Å; F294-S388 WeakPolarHBondContact CE1-O 3.34Å; S302-S388 WeakPolarHBondContact CB-OG 3.49Å; F303-S388 PolarHBondContact N-OG 3.14Å; L384-S388 VanDerWaalsContact O-CB 3.29Å; L384-S388 WeakPolarHBondContact O-CB 3.29Å; L384-S388 PolarHBondContact O-N 3.43Å; Y385-S388 VanDerWaalsContact O-CB 3.29Å; Y385-S388 WeakPolarHBondContact O-CB 3.31Å; Y385-S388 PolarHBondContact O-N 2.93Å; V386-S388 VanDerWaalsContact C-N 3.34Å; S388-S391 WeakPolarHBondContact O-CB 3.34Å; S388-S391 PolarHBondContact O-N 2.75Å; S388-F392 WeakPolarHBondContact O-CB 3.15Å; S388-F392 PolarHBondContact O-N 3.38Å
389	Y	97.8	Very high	95.4	Very high	4 Å²	4	13.8 Å²	13.8	2%	0.016	6%	0.061	C	C	.	.	H	α-helix	trans	-67.5	-41.8	174.8	-170.8	-114.9	0	0	0	113.5	F303 K307 I310 Y385 V386 H387 S391 F392 L393 L502 L507	F303-Y389 HydrophobicContact CB-CD2 4.37Å; F303-Y389 VanDerWaalsContact O-CD2 3.31Å; F303-Y389 WeakPolarHBondContact O-CD2 3.4Å; K307-Y389 HydrophobicContact CB-CD2 3.81Å; K307-Y389 HydrophobicContact CB-CE2 3.8Å; K307-Y389 HydrophobicContact CB-CG 4.21Å; K307-Y389 HydrophobicContact CD-CE2 3.93Å; K307-Y389 HydrophobicContact CG-CD2 4.48Å; K307-Y389 HydrophobicContact CG-CE2 3.98Å; I310-Y389 HydrophobicContact CD1-CD1 3.58Å; I310-Y389 HydrophobicContact CD1-CE1 4.38Å; I310-Y389 HydrophobicContact CD1-CG 4.29Å; Y385-Y389 PolarHBondContact O-N 3.39Å; V386-Y389 PolarHBondContact O-N 3.08Å; H387-Y389 VanDerWaalsContact C-N 3.26Å; H387-Y389 PolarHBondContact O-N 2.83Å; Y389-S391 VanDerWaalsContact C-N 3.27Å; Y389-S391 PolarHBondContact O-N 3.36Å; Y389-F392 HydrophobicContact CD2-CD1 4.2Å; Y389-F392 HydrophobicContact CE2-CD1 4.04Å; Y389-F392 HydrophobicContact CE2-CE1 4.41Å; Y389-F392 WeakPolarHBondContact O-CB 3.23Å; Y389-F392 PolarHBondContact O-N 3.31Å; Y389-L393 HydrophobicContact CD1-CD1 4.12Å; Y389-L393 HydrophobicContact CE1-CD1 3.7Å; Y389-L393 HydrophobicContact CE1-CG 4.26Å; Y389-L393 HydrophobicContact CE2-CD2 4.46Å; Y389-L393 HydrophobicContact CE2-CG 4.48Å; Y389-L393 WeakPolarHBondContact O-CG 3.28Å; Y389-L393 PolarHBondContact O-N 2.94Å; Y389-L393 VanDerWaalsContact O-N 3.1Å; Y389-L502 HydrophobicContact CE1-CD2 4.37Å; Y389-L507 HydrophobicContact CD1-CD1 4.35Å; Y389-L507 HydrophobicContact CE1-CD1 3.47Å; Y389-L507 VanDerWaalsContact CE1-CD1 3.47Å
390	Q	97.8	Very high	95.9	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.019	6%	0.061	C	C	.	.	H	α-helix	trans	-58.9	-41.9	172.3	-66.4	176.6	-65.3	0	0	111.8	V386 H387 F392 L393 W394 V482 P483 L521	V386-Q390 PolarHBondContact O-N 3.48Å; H387-Q390 PolarHBondContact ND1-OE1 3.04Å; H387-Q390 PolarHBondContact O-N 2.88Å; Q390-F392 VanDerWaalsContact C-N 3.33Å; Q390-F392 PolarHBondContact O-N 2.96Å; Q390-L393 PolarHBondContact O-N 3.35Å; Q390-W394 WeakPolarHBondContact O-CB 3.45Å; Q390-W394 PolarHBondContact O-N 2.99Å; Q390-V482 HydrophobicContact CB-CG1 3.69Å; Q390-V482 HydrophobicContact CG-CG1 4.34Å; Q390-P483 HydrophobicContact CB-CG 4.15Å; Q390-P483 HydrophobicContact CG-CG 4.33Å; Q390-P483 PolarHBondContact NE2-O 2.89Å; Q390-L521 HydrophobicContact CG-CD1 3.74Å
391	S	97.9	Very high	96.5	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.2	-38.8	178.6	-55.2	0	0	0	0	111.8	Y289 R293 H387 S388 Y389 W394 N395	Y289-S391 VanDerWaalsContact CD2-CB 3.43Å; R293-S391 PolarHBondContact NE-OG 2.85Å; H387-S391 WeakPolarHBondContact O-CB 3.39Å; H387-S391 PolarHBondContact O-N 3.16Å; H387-S391 PolarHBondContact O-OG 3.15Å; S388-S391 WeakPolarHBondContact O-CB 3.34Å; S388-S391 PolarHBondContact O-N 2.75Å; Y389-S391 VanDerWaalsContact C-N 3.27Å; Y389-S391 PolarHBondContact O-N 3.36Å; S391-W394 PolarHBondContact O-N 3.32Å; S391-N395 PolarHBondContact O-N 3Å
392	F	98.1	Very high	96.9	Very high	30 Å²	30	10.9 Å²	10.9	13%	0.132	5%	0.051	C	C	.	.	H	α-helix	trans	-62.2	-48.9	177.1	165.1	-90.8	0	0	0	110.7	E27 F294 F303 S388 Y389 Q390 N395 H396	E27-F392 WeakPolarHBondContact O-CE2 3.28Å; F294-F392 HydrophobicContact CD1-CB 4.46Å; F294-F392 HydrophobicContact CE1-CB 3.82Å; F303-F392 HydrophobicContact CB-CB 3.8Å; F303-F392 HydrophobicContact CB-CG 4.28Å; F303-F392 HydrophobicContact CD1-CD2 4.14Å; F303-F392 HydrophobicContact CD2-CB 4.22Å; F303-F392 HydrophobicContact CD2-CD1 4.26Å; F303-F392 AromaticContact CD2-CD2 3.55Å; F303-F392 HydrophobicContact CD2-CD2 3.55Å; F303-F392 AromaticContact CD2-CE2 3.9Å; F303-F392 HydrophobicContact CD2-CE2 3.9Å; F303-F392 AromaticContact CD2-CG 3.75Å; F303-F392 HydrophobicContact CD2-CG 3.75Å; F303-F392 HydrophobicContact CD2-CZ 4.43Å; F303-F392 HydrophobicContact CE1-CD2 4.12Å; F303-F392 HydrophobicContact CE1-CE2 4.5Å; F303-F392 AromaticContact CE2-CD2 3.53Å; F303-F392 HydrophobicContact CE2-CD2 3.53Å; F303-F392 AromaticContact CE2-CE2 3.44Å; F303-F392 HydrophobicContact CE2-CE2 3.44Å; F303-F392 VanDerWaalsContact CE2-CE2 3.44Å; F303-F392 HydrophobicContact CE2-CG 4.17Å; F303-F392 HydrophobicContact CE2-CZ 4.06Å; F303-F392 HydrophobicContact CG-CB 3.99Å; F303-F392 AromaticContact CG-CD2 3.85Å; F303-F392 HydrophobicContact CG-CD2 3.85Å; F303-F392 HydrophobicContact CG-CG 4Å; F303-F392 AromaticContact CZ-CD2 3.81Å; F303-F392 HydrophobicContact CZ-CD2 3.81Å; F303-F392 AromaticContact CZ-CE2 3.77Å; F303-F392 HydrophobicContact CZ-CE2 3.77Å; S388-F392 WeakPolarHBondContact O-CB 3.15Å; S388-F392 PolarHBondContact O-N 3.38Å; Y389-F392 HydrophobicContact CD2-CD1 4.2Å; Y389-F392 HydrophobicContact CE2-CD1 4.04Å; Y389-F392 HydrophobicContact CE2-CE1 4.41Å; Y389-F392 WeakPolarHBondContact O-CB 3.23Å; Y389-F392 PolarHBondContact O-N 3.31Å; Q390-F392 VanDerWaalsContact C-N 3.33Å; Q390-F392 PolarHBondContact O-N 2.96Å; F392-N395 PolarHBondContact O-N 3.15Å; F392-H396 AromaticContact CD2-CE1 3.62Å; F392-H396 AromaticContact CD2-ND1 3.94Å; F392-H396 AromaticContact CE2-CE1 3.14Å; F392-H396 WeakPolarHBondContact CE2-CE1 3.49Å; F392-H396 AromaticContact CE2-ND1 3.79Å; F392-H396 AromaticContact CZ-CE1 3.41Å; F392-H396 VanDerWaalsContact CZ-CE1 3.41Å; F392-H396 WeakPolarHBondContact CZ-CE1 3.34Å; F392-H396 AromaticContact CZ-ND1 3.85Å; F392-H396 PolarHBondContact O-N 2.85Å; F392-H396 PolarHBondContact O-ND1 3.18Å
393	L	98.5	Very high	96.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-44.5	176.7	-65.4	174.9	0	0	0	111.2	Y389 Q390 N395 H396 V397 P483 L501 L502 F512	Y389-L393 HydrophobicContact CD1-CD1 4.12Å; Y389-L393 HydrophobicContact CE1-CD1 3.7Å; Y389-L393 HydrophobicContact CE1-CG 4.26Å; Y389-L393 HydrophobicContact CE2-CD2 4.46Å; Y389-L393 HydrophobicContact CE2-CG 4.48Å; Y389-L393 WeakPolarHBondContact O-CG 3.28Å; Y389-L393 PolarHBondContact O-N 2.94Å; Y389-L393 VanDerWaalsContact O-N 3.1Å; Q390-L393 PolarHBondContact O-N 3.35Å; L393-N395 PolarHBondContact O-N 3.19Å; L393-H396 PolarHBondContact O-N 2.9Å; L393-V397 WeakPolarHBondContact O-CG2 3.47Å; L393-V397 PolarHBondContact O-N 3.44Å; L393-P483 HydrophobicContact CB-CG 4.03Å; L393-P483 HydrophobicContact CD1-CG 3.89Å; L393-L501 HydrophobicContact CD2-CB 3.65Å; L393-L501 HydrophobicContact CD2-CD1 4.49Å; L393-L502 HydrophobicContact CD1-CD2 3.6Å; L393-L502 HydrophobicContact CD1-CG 4.19Å; L393-F512 HydrophobicContact CD1-CZ 4.12Å
394	W	98.5	Very high	96.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.7	-47.5	179.1	-170.3	98.7	0	0	0	112	N287 Y288 Y289 Q390 S391 H396 V397 A398 L480 R526	N287-W394 HydrophobicContact CB-CH2 4.37Å; N287-W394 WeakPolarHBondContact O-CH2 3.11Å; N287-W394 WeakPolarHBondContact O-CZ3 3.44Å; Y288-W394 HydrophobicContact CD1-CZ3 4.28Å; Y289-W394 HydrophobicContact CD2-CB 4.43Å; Y289-W394 HydrophobicContact CD2-CD2 4.49Å; Y289-W394 HydrophobicContact CD2-CE3 4.18Å; Y289-W394 HydrophobicContact CE2-CB 4.1Å; Y289-W394 HydrophobicContact CE2-CD2 4.21Å; Y289-W394 HydrophobicContact CE2-CE3 4.33Å; Y289-W394 HydrophobicContact CE2-CG 4.1Å; Q390-W394 WeakPolarHBondContact O-CB 3.45Å; Q390-W394 PolarHBondContact O-N 2.99Å; S391-W394 PolarHBondContact O-N 3.32Å; W394-H396 VanDerWaalsContact C-N 3.35Å; W394-H396 PolarHBondContact O-N 3.21Å; W394-V397 PolarHBondContact O-N 3Å; W394-A398 HydrophobicContact CD2-CB 4.46Å; W394-A398 HydrophobicContact CE3-CB 3.9Å; W394-A398 HydrophobicContact CH2-CB 3.88Å; W394-A398 HydrophobicContact CZ2-CB 4.46Å; W394-A398 HydrophobicContact CZ3-CB 3.55Å; W394-A398 WeakPolarHBondContact O-CB 3.34Å; W394-A398 PolarHBondContact O-N 3.47Å; W394-L480 HydrophobicContact CZ2-CB 4.27Å; W394-L480 HydrophobicContact CZ2-CD1 4.48Å; W394-L480 PolarHBondContact NE1-O 3.33Å; W394-R526 HydrophobicContact CH2-CG 4.36Å; W394-R526 HydrophobicContact CZ2-CB 4.05Å; W394-R526 HydrophobicContact CZ2-CG 3.71Å
395	N	98.5	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.3	-44.8	179.2	-80.2	2.6	0	0	0	111.9	V28 Y288 Y289 F294 S391 F392 L393 A398 S399	V28-N395 WeakPolarHBondContact O-CB 3.48Å; V28-N395 PolarHBondContact O-ND2 2.95Å; V28-N395 VanDerWaalsContact O-ND2 3.14Å; Y288-N395 HydrophobicContact CD1-CB 4Å; Y288-N395 HydrophobicContact CE1-CB 4.49Å; Y288-N395 WeakPolarHBondContact CE1-O 3.45Å; Y289-N395 PolarHBondContact N-OD1 3.14Å; Y289-N395 PolarHBondContact O-ND2 3.26Å; F294-N395 WeakPolarHBondContact CZ-ND2 3.18Å; S391-N395 PolarHBondContact O-N 3Å; F392-N395 PolarHBondContact O-N 3.15Å; L393-N395 PolarHBondContact O-N 3.19Å; N395-A398 PolarHBondContact O-N 3.5Å; N395-S399 PolarHBondContact O-N 3.38Å; N395-S399 PolarHBondContact O-OG 2.85Å
396	H	98.5	Very high	96.8	Very high	41 Å²	41	24 Å²	24	19%	0.19	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-45.3	177.8	-75.5	81.9	0	0	0	112.1	G29 F392 L393 W394 S399 L400 L501	G29-H396 PolarHBondContact N-CE1 3.18Å; G29-H396 PolarHBondContact N-NE2 3.36Å; F392-H396 AromaticContact CD2-CE1 3.62Å; F392-H396 AromaticContact CD2-ND1 3.94Å; F392-H396 AromaticContact CE2-CE1 3.14Å; F392-H396 WeakPolarHBondContact CE2-CE1 3.49Å; F392-H396 AromaticContact CE2-ND1 3.79Å; F392-H396 AromaticContact CZ-CE1 3.41Å; F392-H396 VanDerWaalsContact CZ-CE1 3.41Å; F392-H396 WeakPolarHBondContact CZ-CE1 3.34Å; F392-H396 AromaticContact CZ-ND1 3.85Å; F392-H396 PolarHBondContact O-N 2.85Å; F392-H396 PolarHBondContact O-ND1 3.18Å; L393-H396 PolarHBondContact O-N 2.9Å; W394-H396 VanDerWaalsContact C-N 3.35Å; W394-H396 PolarHBondContact O-N 3.21Å; H396-S399 PolarHBondContact O-N 3.06Å; H396-L400 WeakPolarHBondContact O-CG 3.48Å; H396-L400 PolarHBondContact O-N 3.38Å; H396-L501 HydrophobicContact CB-CD1 3.68Å; H396-L501 HydrophobicContact CB-CD2 4.43Å
397	V	98.6	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-39.2	177.6	176.1	0	0	0	0	111.5	L393 W394 S399 L400 R401 L480 W497 Y498 L501	L393-V397 WeakPolarHBondContact O-CG2 3.47Å; L393-V397 PolarHBondContact O-N 3.44Å; W394-V397 PolarHBondContact O-N 3Å; V397-S399 VanDerWaalsContact C-N 3.34Å; V397-S399 PolarHBondContact O-N 2.97Å; V397-L400 PolarHBondContact O-N 3.48Å; V397-R401 VanDerWaalsContact O-CB 3.29Å; V397-R401 WeakPolarHBondContact O-CB 3.42Å; V397-R401 PolarHBondContact O-N 3.24Å; V397-L480 HydrophobicContact CG1-CD1 4.24Å; V397-W497 HydrophobicContact CG1-CE3 4.25Å; V397-W497 HydrophobicContact CG2-CB 4.15Å; V397-Y498 HydrophobicContact CB-CE1 4.28Å; V397-Y498 HydrophobicContact CB-CE2 4.05Å; V397-Y498 HydrophobicContact CG1-CD2 4.06Å; V397-Y498 HydrophobicContact CG1-CE2 3.53Å; V397-Y498 HydrophobicContact CG2-CD1 3.84Å; V397-Y498 HydrophobicContact CG2-CD2 4Å; V397-Y498 HydrophobicContact CG2-CE1 3.8Å; V397-Y498 HydrophobicContact CG2-CE2 3.96Å; V397-Y498 HydrophobicContact CG2-CG 3.93Å; V397-L501 HydrophobicContact CG2-CD1 3.74Å
398	A	98.4	Very high	96	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-45.5	175	0	0	0	0	0	111.3	V286 Y288 W394 N395 R401 M402 L480 L528	V286-A398 HydrophobicContact CG1-CB 4.27Å; Y288-A398 HydrophobicContact CD1-CB 4.45Å; Y288-A398 HydrophobicContact CE1-CB 4.02Å; W394-A398 HydrophobicContact CD2-CB 4.46Å; W394-A398 HydrophobicContact CE3-CB 3.9Å; W394-A398 HydrophobicContact CH2-CB 3.88Å; W394-A398 HydrophobicContact CZ2-CB 4.46Å; W394-A398 HydrophobicContact CZ3-CB 3.55Å; W394-A398 WeakPolarHBondContact O-CB 3.34Å; W394-A398 PolarHBondContact O-N 3.47Å; N395-A398 PolarHBondContact O-N 3.5Å; A398-R401 PolarHBondContact O-N 3.33Å; A398-M402 WeakPolarHBondContact O-CB 3.43Å; A398-M402 VanDerWaalsContact O-CG 3.26Å; A398-M402 WeakPolarHBondContact O-CG 3.41Å; A398-M402 PolarHBondContact O-N 3.24Å; A398-L480 HydrophobicContact CB-CD1 3.95Å; A398-L528 HydrophobicContact CB-CD1 3.87Å
399	S	98.1	Very high	95.8	Very high	5 Å²	5	31.5 Å²	31.5	4%	0.035	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-49.7	174.3	-73.9	0	0	0	0	112.9	G29 S31 T32 Y288 N395 H396 V397 R401 M402 T403	G29-S399 PolarHBondContact O-OG 3.19Å; S31-S399 WeakPolarHBondContact OG-CB 3.34Å; S31-S399 PolarHBondContact OG-OG 2.84Å; S31-S399 VanDerWaalsContact OG-OG 3.14Å; T32-S399 WeakPolarHBondContact CG2-O 3.32Å; Y288-S399 WeakPolarHBondContact CE1-OG 3.42Å; Y288-S399 PolarHBondContact OH-OG 2.82Å; N395-S399 PolarHBondContact O-N 3.38Å; N395-S399 PolarHBondContact O-OG 2.85Å; H396-S399 PolarHBondContact O-N 3.06Å; V397-S399 VanDerWaalsContact C-N 3.34Å; V397-S399 PolarHBondContact O-N 2.97Å; S399-R401 VanDerWaalsContact C-N 3.3Å; S399-R401 PolarHBondContact O-N 3.13Å; S399-M402 PolarHBondContact O-N 3.42Å; S399-M402 VanDerWaalsContact O-N 3.14Å; S399-T403 PolarHBondContact O-N 3.21Å; S399-T403 PolarHBondContact O-OG1 3.15Å
400	L	98	Very high	95.6	Very high	66 Å²	66	34.3 Å²	34.3	35%	0.346	20%	0.196	S	C	.	.	H	α-helix	trans	-58.9	-44.3	177.7	-70.8	168.1	0	0	0	110.9	H396 V397 M402 T403 H404 W497	H396-L400 WeakPolarHBondContact O-CG 3.48Å; H396-L400 PolarHBondContact O-N 3.38Å; V397-L400 PolarHBondContact O-N 3.48Å; L400-M402 VanDerWaalsContact C-N 3.31Å; L400-M402 PolarHBondContact O-N 3.34Å; L400-T403 WeakPolarHBondContact O-CB 3.39Å; L400-T403 PolarHBondContact O-N 2.86Å; L400-H404 PolarHBondContact O-CD2 2.79Å; L400-W497 HydrophobicContact CB-CD2 3.65Å; L400-W497 HydrophobicContact CB-CE3 3.47Å; L400-W497 VanDerWaalsContact CB-CE3 3.47Å; L400-W497 HydrophobicContact CB-CG 4.28Å; L400-W497 HydrophobicContact CB-CH2 4.25Å; L400-W497 HydrophobicContact CB-CZ2 4.33Å; L400-W497 HydrophobicContact CB-CZ3 3.85Å; L400-W497 HydrophobicContact CD1-CB 3.85Å; L400-W497 HydrophobicContact CD1-CD2 3.97Å; L400-W497 HydrophobicContact CD1-CE3 4.44Å; L400-W497 HydrophobicContact CD1-CG 3.68Å; L400-W497 HydrophobicContact CG-CD2 4.39Å
401	R	97.3	Very high	95.5	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-42.1	176.2	176.8	56.4	-169.2	73.2	12.5	111.9	V397 A398 S399 H404 K413 D416 W497 L528	V397-R401 VanDerWaalsContact O-CB 3.29Å; V397-R401 WeakPolarHBondContact O-CB 3.42Å; V397-R401 PolarHBondContact O-N 3.24Å; A398-R401 PolarHBondContact O-N 3.33Å; S399-R401 VanDerWaalsContact C-N 3.3Å; S399-R401 PolarHBondContact O-N 3.13Å; R401-H404 PolarHBondContact O-N 3.41Å; R401-K413 VanDerWaalsContact NH2-CG 3.26Å; R401-D416 IonicContact CZ-OD1 2.67Å; R401-D416 IonicContact CZ-OD2 3.55Å; R401-D416 IonicContact NE-OD1 2.72Å; R401-D416 PolarHBondContact NE-OD1 3.08Å; R401-D416 IonicContact NE-OD2 2.6Å; R401-D416 PolarHBondContact NE-OD2 3.43Å; R401-D416 IonicContact NH2-OD1 3.25Å; R401-D416 IonicContact NH2-OD2 2.99Å; R401-D416 PolarHBondContact NH2-OD2 3.48Å; R401-W497 HydrophobicContact CB-CZ3 3.86Å; R401-W497 VanDerWaalsContact N-CZ3 3.26Å; R401-L528 HydrophobicContact CG-CD2 4.08Å
402	M	96.1	Very high	95.5	Very high	10 Å²	10	39 Å²	39	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-70.8	-27.9	179.1	-72.1	-56.8	-58.9	0	0	113.3	T32 V286 A398 S399 L400 H404 Q405 L475 L528 I529	T32-M402 HydrophobicContact CG2-CB 4.28Å; T32-M402 VanDerWaalsContact OG1-CB 3.24Å; T32-M402 WeakPolarHBondContact OG1-CB 3.39Å; V286-M402 HydrophobicContact CG1-CG 4.49Å; V286-M402 HydrophobicContact CG2-CE 4.33Å; V286-M402 HydrophobicContact CG2-CG 3.92Å; V286-M402 HydrophobicContact CG2-SD 4.45Å; A398-M402 WeakPolarHBondContact O-CB 3.43Å; A398-M402 VanDerWaalsContact O-CG 3.26Å; A398-M402 WeakPolarHBondContact O-CG 3.41Å; A398-M402 PolarHBondContact O-N 3.24Å; S399-M402 PolarHBondContact O-N 3.42Å; S399-M402 VanDerWaalsContact O-N 3.14Å; L400-M402 VanDerWaalsContact C-N 3.31Å; L400-M402 PolarHBondContact O-N 3.34Å; M402-H404 PolarHBondContact O-N 2.84Å; M402-Q405 HydrophobicContact CE-CB 4.18Å; M402-Q405 HydrophobicContact CE-CG 4.32Å; M402-Q405 WeakPolarHBondContact O-CB 3.41Å; M402-Q405 PolarHBondContact O-N 3.45Å; M402-L475 HydrophobicContact CE-CD2 4.39Å; M402-L528 HydrophobicContact CG-CD1 4.29Å; M402-L528 HydrophobicContact SD-CD1 4.38Å; M402-L528 HydrophobicContact SD-CD2 3.97Å; M402-L528 HydrophobicContact SD-CG 4.25Å; M402-I529 HydrophobicContact CE-CD1 4.33Å; M402-I529 HydrophobicContact SD-CD1 4.04Å
403	T	94.5	Very high	95.4	Very high	99 Å²	99	39.8 Å²	39.8	61%	0.607	22%	0.221	S	C	*	.	H	α-helix	trans	-61.2	-28	171.9	-60.8	0	0	0	0	112.7	S399 L400 Q405	S399-T403 PolarHBondContact O-N 3.21Å; S399-T403 PolarHBondContact O-OG1 3.15Å; L400-T403 WeakPolarHBondContact O-CB 3.39Å; L400-T403 PolarHBondContact O-N 2.86Å; T403-Q405 VanDerWaalsContact C-N 3.28Å
404	H	92.1	Very high	95.3	Very high	105 Å²	105	42.8 Å²	42.8	49%	0.486	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.4	174.4	-71.2	-97.9	0	0	0	113.5	L400 R401 M402 K413 W497	L400-H404 PolarHBondContact O-CD2 2.79Å; R401-H404 PolarHBondContact O-N 3.41Å; M402-H404 PolarHBondContact O-N 2.84Å; H404-K413 WeakPolarHBondContact O-CE 3.37Å; H404-W497 AromaticContact CD2-CH2 3.44Å; H404-W497 VanDerWaalsContact CD2-CH2 3.44Å; H404-W497 WeakPolarHBondContact CD2-CH2 3.19Å; H404-W497 AromaticContact CD2-CZ2 3.53Å; H404-W497 AromaticContact NE2-CH2 3.84Å; H404-W497 AromaticContact NE2-CZ2 3.39Å; H404-W497 WeakPolarHBondContact NE2-CZ2 3.23Å
405	Q	93.6	Very high	95.3	Very high	19 Å²	19	43.1 Å²	43.1	9%	0.089	24%	0.244	C	C	.	.	S	Bend	trans	-88.3	127.1	173.7	-160.5	67.8	20.6	0	0	109.5	M402 T403 D409 F411 L475	M402-Q405 HydrophobicContact CE-CB 4.18Å; M402-Q405 HydrophobicContact CE-CG 4.32Å; M402-Q405 WeakPolarHBondContact O-CB 3.41Å; M402-Q405 PolarHBondContact O-N 3.45Å; T403-Q405 VanDerWaalsContact C-N 3.28Å; Q405-D409 PolarHBondContact NE2-O 2.88Å; Q405-F411 PolarHBondContact NE2-O 3.2Å; Q405-L475 HydrophobicContact CG-CD2 4.32Å
406	N	91.4	Very high	95.2	Very high	103 Å²	103	43.1 Å²	43.1	55%	0.551	24%	0.244	S	C	*	.	P	Polyproline II helix	trans	-70.1	136.3	172.9	-66.5	-25.9	0	0	0	108.8	G408 D409	N406-G408 PolarHBondContact O-N 2.92Å; N406-D409 HydrophobicContact CB-CB 3.92Å; N406-D409 WeakPolarHBondContact O-CB 3.03Å; N406-D409 PolarHBondContact O-N 3.26Å
407	P	88.3	Confident	95.2	Very high	77 Å²	77	41.2 Å²	41.2	50%	0.5	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	130.6	174.7	-26.6	34.9	0	0	0	111.7	L37 D409	L37-P407 HydrophobicContact CD1-CB 3.51Å; L37-P407 HydrophobicContact CD1-CG 4.2Å; L37-P407 HydrophobicContact CG-CB 3.96Å; L37-P407 HydrophobicContact CG-CG 4.43Å; P407-D409 VanDerWaalsContact C-N 3.26Å; P407-D409 PolarHBondContact O-N 3.39Å
408	G	87.4	Confident	95	Very high	52 Å²	52	42.5 Å²	42.5	54%	0.536	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-14.1	-177	0	0	0	0	0	115.8	N406 L410	N406-G408 PolarHBondContact O-N 2.92Å; G408-L410 PolarHBondContact O-N 3.31Å
409	D	92.8	Very high	94.6	Very high	42 Å²	42	44.2 Å²	44.2	23%	0.225	25%	0.247	C	C	.	.			trans	-76.9	117.5	171.8	-178.9	10.7	0	0	0	109.6	Q405 N406 P407 F411 K413	Q405-D409 PolarHBondContact NE2-O 2.88Å; N406-D409 HydrophobicContact CB-CB 3.92Å; N406-D409 WeakPolarHBondContact O-CB 3.03Å; N406-D409 PolarHBondContact O-N 3.26Å; P407-D409 VanDerWaalsContact C-N 3.26Å; P407-D409 PolarHBondContact O-N 3.39Å; D409-F411 WeakPolarHBondContact OD1-CD2 3.33Å; D409-F411 PolarHBondContact OD1-N 2.89Å; D409-F411 VanDerWaalsContact OD1-N 3.12Å; D409-K413 IonicContact OD2-NZ 3.21Å; D409-K413 PolarHBondContact OD2-NZ 2.64Å
410	L	94.2	Very high	93.6	Very high	63 Å²	63	47.1 Å²	47.1	33%	0.33	26%	0.262	S	S	.	.			trans	-111.5	26.7	-177.8	-61.9	175.8	0	0	0	112.3	V34 T283 G408 L475	V34-L410 HydrophobicContact CG1-CD2 4.35Å; T283-L410 HydrophobicContact CG2-CD1 3.75Å; T283-L410 HydrophobicContact CG2-CD2 4.33Å; G408-L410 PolarHBondContact O-N 3.31Å; L410-L475 HydrophobicContact CD2-CD2 4.46Å; L410-L475 VanDerWaalsContact O-CB 3.23Å; L410-L475 WeakPolarHBondContact O-CB 3.4Å; L410-L475 PolarHBondContact O-N 3.09Å
411	F	95.8	Very high	91.8	Very high	93 Å²	93	49.5 Å²	49.5	41%	0.408	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-108.6	152.2	174.2	-61.3	-78.3	0	0	0	112.5	Q405 D409 K472 I473	Q405-F411 PolarHBondContact NE2-O 3.2Å; D409-F411 WeakPolarHBondContact OD1-CD2 3.33Å; D409-F411 PolarHBondContact OD1-N 2.89Å; D409-F411 VanDerWaalsContact OD1-N 3.12Å; F411-K472 HydrophobicContact CD1-CB 4.03Å; F411-K472 HydrophobicContact CE1-CB 4.08Å; F411-I473 CarbonylContact C-O 3.59Å; F411-I473 WeakPolarHBondContact CA-O 3.26Å
412	A	96.3	Very high	89.5	Confident	9 Å²	9	57.4 Å²	57.4	7%	0.074	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-62.6	156.7	171.2	0	0	0	0	0	111.1	D416 V467 I473 V478	A412-D416 HydrophobicContact CB-CB 4.34Å; A412-V467 HydrophobicContact CB-CG1 4.26Å; A412-V467 HydrophobicContact CB-CG2 3.85Å; A412-I473 HydrophobicContact CB-CB 3.95Å; A412-I473 HydrophobicContact CB-CG2 4.29Å; A412-I473 PolarHBondContact N-O 3.47Å; A412-V478 HydrophobicContact CB-CG2 3.37Å
413	K	96.3	Very high	87.2	Confident	47 Å²	47	60.4 Å²	60.4	20%	0.204	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-98	152.1	173.4	-62.3	-61.2	-176.6	-167.6	0	109.7	R401 H404 D409 G415 D416	R401-K413 VanDerWaalsContact NH2-CG 3.26Å; H404-K413 WeakPolarHBondContact O-CE 3.37Å; D409-K413 IonicContact OD2-NZ 3.21Å; D409-K413 PolarHBondContact OD2-NZ 2.64Å; K413-G415 PolarHBondContact O-N 3.23Å; K413-D416 PolarHBondContact N-OD2 3.06Å; K413-D416 VanDerWaalsContact O-CB 3.22Å; K413-D416 WeakPolarHBondContact O-CB 3.47Å; K413-D416 VanDerWaalsContact O-CG 3.24Å; K413-D416 PolarHBondContact O-N 3.23Å
414	P	97.1	Very high	84.6	Confident	64 Å²	64	59.8 Å²	59.8	42%	0.416	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	138.3	173.6	-28.4	36.4	0	0	0	111.9	D416 N492	P414-D416 VanDerWaalsContact C-N 3.29Å; P414-D416 PolarHBondContact O-N 2.81Å; P414-N492 WeakPolarHBondContact O-CB 3.38Å; P414-N492 PolarHBondContact O-ND2 2.68Å
415	G	97.2	Very high	81.9	Confident	6 Å²	6	59.4 Å²	59.4	6%	0.062	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-8.5	-177.3	0	0	0	0	0	115.6	K413 V467 P490 K491 N492	K413-G415 PolarHBondContact O-N 3.23Å; G415-V467 PolarHBondContact N-O 2.8Å; G415-P490 WeakPolarHBondContact O-CB 3.23Å; G415-K491 PolarHBondContact O-N 3.24Å; G415-N492 VanDerWaalsContact C-ND2 3.33Å
416	D	97.9	Very high	79.4	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	35%	0.345	C	S	.	.			trans	-61.7	157.5	171.9	-77.7	-17.1	0	0	0	111.1	R401 A412 K413 P414 V466 V467 V478 N492	R401-D416 IonicContact CZ-OD1 2.67Å; R401-D416 IonicContact CZ-OD2 3.55Å; R401-D416 IonicContact NE-OD1 2.72Å; R401-D416 PolarHBondContact NE-OD1 3.08Å; R401-D416 IonicContact NE-OD2 2.6Å; R401-D416 PolarHBondContact NE-OD2 3.43Å; R401-D416 IonicContact NH2-OD1 3.25Å; R401-D416 IonicContact NH2-OD2 2.99Å; R401-D416 PolarHBondContact NH2-OD2 3.48Å; A412-D416 HydrophobicContact CB-CB 4.34Å; K413-D416 PolarHBondContact N-OD2 3.06Å; K413-D416 VanDerWaalsContact O-CB 3.22Å; K413-D416 WeakPolarHBondContact O-CB 3.47Å; K413-D416 VanDerWaalsContact O-CG 3.24Å; K413-D416 PolarHBondContact O-N 3.23Å; P414-D416 VanDerWaalsContact C-N 3.29Å; P414-D416 PolarHBondContact O-N 2.81Å; D416-V466 CarbonylContact O-C 3.51Å; D416-V466 WeakPolarHBondContact O-CA 3.31Å; D416-V467 HydrophobicContact CB-CB 4.38Å; D416-V467 HydrophobicContact CB-CG2 3.91Å; D416-V467 WeakPolarHBondContact O-CG2 3.27Å; D416-V467 PolarHBondContact O-N 2.84Å; D416-V478 HydrophobicContact CB-CG1 4.14Å; D416-V478 HydrophobicContact CB-CG2 4.37Å; D416-N492 PolarHBondContact N-ND2 2.99Å; D416-N492 PolarHBondContact OD1-ND2 3.02Å
417	L	97.5	Very high	76.8	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.5	174.8	-58.6	176.2	0	0	0	110.2	P464 L465 V466 V478 V479 H488 P490 Y525	L417-P464 HydrophobicContact CB-CB 4.03Å; L417-P464 HydrophobicContact CB-CG 3.87Å; L417-P464 HydrophobicContact CD1-CG 4.09Å; L417-P464 HydrophobicContact CD2-CG 4.39Å; L417-P464 HydrophobicContact CG-CG 4.34Å; L417-L465 CarbonylContact C-O 3.55Å; L417-L465 VanDerWaalsContact CA-O 3.24Å; L417-L465 WeakPolarHBondContact CA-O 3.45Å; L417-V466 HydrophobicContact CD2-CG2 3.86Å; L417-V478 CarbonylContact O-C 3.55Å; L417-V478 WeakPolarHBondContact O-CA 3.19Å; L417-V479 HydrophobicContact CB-CG2 3.88Å; L417-V479 PolarHBondContact O-N 2.75Å; L417-H488 VanDerWaalsContact CD1-O 3.24Å; L417-H488 WeakPolarHBondContact CD1-O 3.48Å; L417-P490 HydrophobicContact CD1-CG 3.99Å; L417-P490 HydrophobicContact CG-CB 4.31Å; L417-P490 HydrophobicContact CG-CG 4.05Å; L417-Y525 HydrophobicContact CD1-CD1 4.48Å; L417-Y525 HydrophobicContact CD1-CE1 3.97Å
418	Y	95.4	Very high	74.5	Confident	27 Å²	27	58.9 Å²	58.9	11%	0.106	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	156.6	177.3	75.9	-76.3	0	0	0	112.9	P464 L465 V467 E471 I473 S477	Y418-P464 CarbonylContact O-C 3.6Å; Y418-P464 WeakPolarHBondContact O-CA 3.46Å; Y418-P464 WeakPolarHBondContact O-CB 3.44Å; Y418-L465 HydrophobicContact CD1-CB 4.01Å; Y418-L465 HydrophobicContact CE1-CB 3.63Å; Y418-L465 HydrophobicContact CE2-CB 4.49Å; Y418-L465 HydrophobicContact CE2-CD1 4.26Å; Y418-L465 PolarHBondContact N-O 2.81Å; Y418-L465 PolarHBondContact O-N 3.15Å; Y418-V467 HydrophobicContact CD1-CB 4.45Å; Y418-V467 HydrophobicContact CD1-CG2 3.39Å; Y418-V467 HydrophobicContact CE1-CB 4.49Å; Y418-V467 HydrophobicContact CE1-CG2 3.81Å; Y418-V467 HydrophobicContact CG-CG2 4.21Å; Y418-E471 PolarHBondContact OH-OE2 3.33Å; Y418-I473 HydrophobicContact CD1-CG1 4.36Å; Y418-I473 HydrophobicContact CD1-CG2 4.47Å; Y418-I473 HydrophobicContact CD2-CD1 4.2Å; Y418-I473 HydrophobicContact CD2-CG1 4.26Å; Y418-I473 HydrophobicContact CD2-CG2 3.76Å; Y418-I473 HydrophobicContact CE1-CD1 4.42Å; Y418-I473 HydrophobicContact CE1-CG1 4.08Å; Y418-I473 HydrophobicContact CE2-CD1 3.62Å; Y418-I473 HydrophobicContact CE2-CG1 4.01Å; Y418-I473 HydrophobicContact CE2-CG2 4.31Å; Y418-I473 HydrophobicContact CG-CG1 4.42Å; Y418-I473 HydrophobicContact CG-CG2 3.84Å; Y418-S477 WeakPolarHBondContact CA-O 3.18Å; Y418-S477 WeakPolarHBondContact CB-O 3.45Å
419	Y	89.1	Confident	72	Confident	36 Å²	36	59.4 Å²	59.4	14%	0.141	32%	0.318	C	S	.	.			trans	-99.8	131.7	166.2	-69.1	-68	0	0	0	109.5	I462 P464 V479 Y525	Y419-I462 HydrophobicContact CE1-CG2 4.26Å; Y419-I462 WeakPolarHBondContact CE1-O 3.32Å; Y419-I462 PolarHBondContact OH-O 3.29Å; Y419-P464 HydrophobicContact CD1-CB 4.24Å; Y419-P464 HydrophobicContact CE1-CB 3.99Å; Y419-P464 HydrophobicContact CE2-CB 4.49Å; Y419-V479 HydrophobicContact CD2-CG1 3.81Å; Y419-V479 HydrophobicContact CD2-CG2 4.38Å; Y419-V479 HydrophobicContact CE2-CG1 3.97Å; Y419-V479 HydrophobicContact CE2-CG2 4.2Å; Y419-Y525 WeakPolarHBondContact OH-CD2 3.45Å
420	N	76.8	Confident	69.5	Low	65 Å²	65	59.6 Å²	59.6	35%	0.348	32%	0.322	S	S	.	.			trans	-65.6	144.7	166.9	-170.4	-5.1	0	0	0	108.9	Q422 N423 L465	N420-Q422 PolarHBondContact O-N 3.32Å; N420-N423 WeakPolarHBondContact O-CA 3.35Å; N420-N423 PolarHBondContact O-N 3.27Å; N420-L465 HydrophobicContact CB-CD1 4.43Å
421	V	60.5	Low	67	Low	117 Å²	117	61.4 Å²	61.4	71%	0.709	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-54.7	-28.4	179.1	-177.3	0	0	0	0	111.6	N423 V424	V421-N423 VanDerWaalsContact C-N 3.32Å; V421-N423 PolarHBondContact O-N 3.1Å; V421-V424 WeakPolarHBondContact O-CG2 3.31Å
422	Q	49.8	Very low	64.5	Low	170 Å²	170	57.7 Å²	57.7	79%	0.794	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-71.6	-19.9	174.8	-68.1	178.7	-13.5	0	0	114.4	N420	N420-Q422 PolarHBondContact O-N 3.32Å
423	N	46.4	Very low	61.9	Low	72 Å²	72	60.9 Å²	60.9	39%	0.385	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-105	16.6	-176.9	-76.5	-6.1	0	0	0	113.4	N420 V421 I425	N420-N423 WeakPolarHBondContact O-CA 3.35Å; N420-N423 PolarHBondContact O-N 3.27Å; V421-N423 VanDerWaalsContact C-N 3.32Å; V421-N423 PolarHBondContact O-N 3.1Å; N423-I425 PolarHBondContact O-N 2.87Å
424	V	41	Very low	59.5	Low	87 Å²	87	59.6 Å²	59.6	53%	0.527	32%	0.324	S	S	.	.			trans	-75.9	67.2	178.9	-169.8	0	0	0	0	110.3	V421 T426	V421-V424 WeakPolarHBondContact O-CG2 3.31Å; V424-T426 HydrophobicContact CG1-CG2 4.22Å
425	I	35.6	Very low	56.6	Low	97 Å²	97	58.7 Å²	58.7	50%	0.497	32%	0.316	S	S	.	.			trans	-93.3	91.5	142	-55.6	173.4	0	0	0	102.7	N423 P427 I462	N423-I425 PolarHBondContact O-N 2.87Å; I425-P427 WeakPolarHBondContact O-CD 3.41Å; I425-P427 VanDerWaalsContact O-N 3.11Å; I425-I462 HydrophobicContact CB-CD1 4.32Å; I425-I462 HydrophobicContact CD1-CD1 4.37Å
426	T	39.7	Very low	53.6	Low	69 Å²	69	60.1 Å²	60.1	42%	0.423	32%	0.32	S	S	.	.			trans	-51	122.4	160.3	41.9	0	0	0	0	105.7	V424 D428	V424-T426 HydrophobicContact CG1-CG2 4.22Å; T426-D428 PolarHBondContact O-N 3.21Å
427	P	38.6	Very low	50.7	Low	35 Å²	35	61.1 Å²	61.1	23%	0.227	33%	0.326	C	S	.	.			trans	-55	108.8	-179.9	-23.8	32.8	0	0	0	107.9	I425 N429 C430	I425-P427 WeakPolarHBondContact O-CD 3.41Å; I425-P427 VanDerWaalsContact O-N 3.11Å; P427-N429 PolarHBondContact O-N 3.42Å; P427-C430 PolarHBondContact O-N 3.07Å
428	D	38.3	Very low	47.7	Very low	84 Å²	84	65 Å²	65	45%	0.449	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	4.5	-168.9	-92.8	-32.8	0	0	0	113.6	T426 K598	T426-D428 PolarHBondContact O-N 3.21Å; D428-K598 IonicContact OD1-NZ 3.57Å; D428-K598 PolarHBondContact OD1-NZ 3.26Å
429	N	36.1	Very low	45.1	Very low	63 Å²	63	64.7 Å²	64.7	34%	0.337	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	54.7	177.5	-69.9	-35.4	0	0	0	111	P427 E431 L459	P427-N429 PolarHBondContact O-N 3.42Å; N429-E431 PolarHBondContact O-N 2.87Å; N429-L459 VanDerWaalsContact ND2-CD1 3.34Å; N429-L459 WeakPolarHBondContact ND2-CD1 3.46Å
430	C	40.6	Very low	42.6	Very low	46 Å²	46	64.9 Å²	64.9	31%	0.311	35%	0.353	S	S	.	.			trans	-76.1	105.6	156.2	-74.3	0	0	0	0	107.6	P427 D432	P427-C430 PolarHBondContact O-N 3.07Å; C430-D432 HydrophobicContact CB-CB 3.9Å; C430-D432 VanDerWaalsContact CB-OD2 3.29Å; C430-D432 WeakPolarHBondContact CB-OD2 3.49Å; C430-D432 PolarHBondContact O-N 3.41Å; C430-D432 PolarHBondContact SG-OD2 2.94Å; C430-D432 VanDerWaalsContact SG-OD2 3.41Å
431	E	41.9	Very low	40.6	Very low	100 Å²	100	65 Å²	65	47%	0.467	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-57.6	9	160.1	-66.1	-172.7	172.3	0	0	112.3	Q383 N429 D433 I434	Q383-E431 PolarHBondContact NE2-OE2 3.49Å; N429-E431 PolarHBondContact O-N 2.87Å; E431-D433 PolarHBondContact O-N 3.39Å; E431-I434 WeakPolarHBondContact O-CG1 3.21Å; E431-I434 PolarHBondContact O-N 2.94Å
432	D	43.1	Very low	39.3	Very low	15 Å²	15	66 Å²	66	8%	0.08	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-61.6	-24.6	-179.5	-67	-26	0	0	0	112.6	R293 C430 I434 S524	R293-D432 PolarHBondContact NH1-O 3.24Å; R293-D432 PolarHBondContact NH2-O 2.92Å; C430-D432 HydrophobicContact CB-CB 3.9Å; C430-D432 VanDerWaalsContact CB-OD2 3.29Å; C430-D432 WeakPolarHBondContact CB-OD2 3.49Å; C430-D432 PolarHBondContact O-N 3.41Å; C430-D432 PolarHBondContact SG-OD2 2.94Å; C430-D432 VanDerWaalsContact SG-OD2 3.41Å; D432-I434 VanDerWaalsContact C-N 3.35Å; D432-I434 PolarHBondContact O-N 3.32Å; D432-S524 PolarHBondContact OD1-OG 3.36Å; D432-S524 WeakPolarHBondContact OD2-CB 3.47Å; D432-S524 PolarHBondContact OD2-OG 2.96Å
433	D	41.2	Very low	38.4	Very low	77 Å²	77	59.5 Å²	59.5	41%	0.412	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-95.8	39.7	179.4	-73.7	-21	0	0	0	113.1	E431 N435 S599	E431-D433 PolarHBondContact O-N 3.39Å; D433-N435 PolarHBondContact O-N 2.96Å; D433-S599 PolarHBondContact OD1-OG 2.85Å; D433-S599 WeakPolarHBondContact OD2-CA 3.45Å; D433-S599 PolarHBondContact OD2-N 3.14Å; D433-S599 PolarHBondContact OD2-OG 3.38Å
434	I	45.1	Very low	37.7	Very low	20 Å²	20	61.3 Å²	61.3	10%	0.103	33%	0.332	C	S	.	.			trans	-65	104.9	157	-62.3	171.6	0	0	0	106.9	R293 N380 Q383 L384 E431 D432	R293-I434 PolarHBondContact NH1-O 2.93Å; N380-I434 HydrophobicContact CB-CG2 4.38Å; Q383-I434 HydrophobicContact CB-CD1 3.6Å; Q383-I434 HydrophobicContact CG-CD1 4.35Å; L384-I434 HydrophobicContact CB-CG2 4.16Å; L384-I434 HydrophobicContact CD1-CG2 4.29Å; L384-I434 WeakPolarHBondContact CD1-O 3.46Å; E431-I434 WeakPolarHBondContact O-CG1 3.21Å; E431-I434 PolarHBondContact O-N 2.94Å; D432-I434 VanDerWaalsContact C-N 3.35Å; D432-I434 PolarHBondContact O-N 3.32Å
435	N	35.9	Very low	37.2	Very low	45 Å²	45	67 Å²	67	24%	0.241	35%	0.352	C	S	.	.			trans	-71.5	142.9	-179.1	-164	5.1	0	0	0	111.3	T206 Q292 D433 D437	T206-N435 WeakPolarHBondContact OG1-CB 3.38Å; T206-N435 PolarHBondContact OG1-ND2 3.29Å; Q292-N435 PolarHBondContact NE2-OD1 3.1Å; D433-N435 PolarHBondContact O-N 2.96Å; N435-D437 PolarHBondContact O-N 3.4Å
436	F	34.8	Very low	37.4	Very low	35 Å²	35	64.6 Å²	64.6	15%	0.154	35%	0.345	C	S	.	.			trans	-79.8	91.7	163.9	-162	-77.4	0	0	0	106.8	Q292 S302 L384	Q292-F436 HydrophobicContact CG-CB 4.42Å; Q292-F436 PolarHBondContact NE2-O 3.43Å; Q292-F436 WeakPolarHBondContact O-CB 3.29Å; S302-F436 VanDerWaalsContact OG-CE2 3.31Å; S302-F436 WeakPolarHBondContact OG-CE2 3.23Å; L384-F436 HydrophobicContact CD1-CB 4.12Å; L384-F436 HydrophobicContact CD1-CD2 4.22Å; L384-F436 HydrophobicContact CD2-CB 3.99Å; L384-F436 HydrophobicContact CD2-CD2 3.35Å; L384-F436 HydrophobicContact CD2-CE2 3.99Å; L384-F436 HydrophobicContact CD2-CG 3.88Å; L384-F436 HydrophobicContact CG-CD2 3.87Å
437	D	37.6	Very low	37.5	Very low	22 Å²	22	64.6 Å²	64.6	12%	0.118	35%	0.352	C	S	.	.			trans	-97.7	120.2	171.8	-174.9	2.9	0	0	0	108.9	L184 N435 S439 V440	L184-D437 VanDerWaalsContact CD1-OD2 3.31Å; L184-D437 WeakPolarHBondContact CD1-OD2 3.2Å; N435-D437 PolarHBondContact O-N 3.4Å; D437-S439 PolarHBondContact O-N 3.36Å; D437-S439 VanDerWaalsContact O-N 3.12Å; D437-S439 WeakPolarHBondContact OD1-CB 3.32Å; D437-S439 PolarHBondContact OD1-N 3Å; D437-S439 PolarHBondContact OD1-OG 2.87Å; D437-S439 PolarHBondContact OD2-OG 2.75Å; D437-V440 HydrophobicContact CB-CG2 4.2Å; D437-V440 WeakPolarHBondContact O-CB 3.24Å; D437-V440 WeakPolarHBondContact O-CG2 3.41Å; D437-V440 PolarHBondContact O-N 2.75Å
438	D	34.7	Very low	37.6	Very low	83 Å²	83	63.7 Å²	63.7	44%	0.444	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-55.5	-22	170.6	-87.7	-20.5	0	0	0	111.5	H296 V440 L441	H296-D438 IonicContact CD2-OD1 2.87Å; H296-D438 IonicContact CD2-OD2 3.37Å; H296-D438 IonicContact NE2-OD1 2.75Å; H296-D438 IonicContact NE2-OD2 2.65Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 PolarHBondContact O-N 2.65Å; D438-L441 WeakPolarHBondContact O-CB 3.33Å; D438-L441 WeakPolarHBondContact O-CD1 3.47Å; D438-L441 WeakPolarHBondContact O-CG 3.35Å; D438-L441 PolarHBondContact O-N 2.82Å
439	S	39.7	Very low	37.9	Very low	20 Å²	20	61.4 Å²	61.4	14%	0.14	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-73.1	-15.8	177.3	89.8	0	0	0	0	114	D437 L441 E442	D437-S439 PolarHBondContact O-N 3.36Å; D437-S439 VanDerWaalsContact O-N 3.12Å; D437-S439 WeakPolarHBondContact OD1-CB 3.32Å; D437-S439 PolarHBondContact OD1-N 3Å; D437-S439 PolarHBondContact OD1-OG 2.87Å; D437-S439 PolarHBondContact OD2-OG 2.75Å; S439-L441 PolarHBondContact O-N 2.67Å; S439-L441 VanDerWaalsContact O-N 3.13Å; S439-E442 PolarHBondContact O-N 3.25Å
440	V	36.7	Very low	38.1	Very low	40 Å²	40	62.5 Å²	62.5	24%	0.242	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-63.1	-17.5	170.5	-178.2	0	0	0	0	110.9	I356 L381 D437 D438 E442	I356-V440 VanDerWaalsContact CG2-O 3.3Å; I356-V440 WeakPolarHBondContact CG2-O 3.22Å; L381-V440 HydrophobicContact CB-CG1 4.12Å; L381-V440 HydrophobicContact CD1-CG1 4.47Å; L381-V440 HydrophobicContact CD2-CG1 4.44Å; D437-V440 HydrophobicContact CB-CG2 4.2Å; D437-V440 WeakPolarHBondContact O-CB 3.24Å; D437-V440 WeakPolarHBondContact O-CG2 3.41Å; D437-V440 PolarHBondContact O-N 2.75Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 PolarHBondContact O-N 2.65Å; V440-E442 VanDerWaalsContact C-N 3.25Å; V440-E442 PolarHBondContact O-N 2.82Å
441	L	34.6	Very low	38	Very low	68 Å²	68	63 Å²	63	36%	0.356	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-69.7	-17	170.8	-53.8	176.4	0	0	0	113.2	G355 I356 D438 S439	G355-L441 WeakPolarHBondContact CA-O 3.44Å; I356-L441 HydrophobicContact CB-CD2 4.42Å; I356-L441 HydrophobicContact CD1-CD2 3.26Å; I356-L441 HydrophobicContact CG1-CD2 3.44Å; I356-L441 VanDerWaalsContact CG1-CD2 3.44Å; I356-L441 HydrophobicContact CG2-CD2 4.19Å; D438-L441 WeakPolarHBondContact O-CB 3.33Å; D438-L441 WeakPolarHBondContact O-CD1 3.47Å; D438-L441 WeakPolarHBondContact O-CG 3.35Å; D438-L441 PolarHBondContact O-N 2.82Å; S439-L441 PolarHBondContact O-N 2.67Å; S439-L441 VanDerWaalsContact O-N 3.13Å
442	E	34.7	Very low	38	Very low	138 Å²	138	58.4 Å²	58.4	65%	0.645	33%	0.334	S	S	*	.	S	Bend	trans	-103.8	80.7	175.1	-66.8	-171.5	-178.5	0	0	109.9	S439 V440 N444	S439-E442 PolarHBondContact O-N 3.25Å; V440-E442 VanDerWaalsContact C-N 3.25Å; V440-E442 PolarHBondContact O-N 2.82Å; E442-N444 PolarHBondContact O-N 3.41Å
443	T	29.8	Very low	38.3	Very low	34 Å²	34	60.8 Å²	60.8	21%	0.209	35%	0.352	C	S	.	.			trans	-66.8	96	175.2	51	0	0	0	0	110.6	G355 P378	G355-T443 PolarHBondContact N-OG1 3.29Å; P378-T443 HydrophobicContact CG-CG2 4.49Å
444	N	31.2	Very low	38.5	Very low	110 Å²	110	59.7 Å²	59.7	59%	0.588	35%	0.345	S	S	*	.			trans	-101	132.2	143	-80.8	-37.6	0	0	0	107.2	E442 S446	E442-N444 PolarHBondContact O-N 3.41Å; N444-S446 PolarHBondContact O-N 3.14Å
445	E	32.2	Very low	38.2	Very low	205 Å²	205	63.7 Å²	63.7	96%	0.958	37%	0.373	S	S	*	.	S	Bend	trans	-56.4	7.9	-167.3	-64.7	-178	144.3	0	0	117.3	A447	E445-A447 PolarHBondContact O-N 3.03Å
446	S	38.4	Very low	38.2	Very low	48 Å²	48	66.6 Å²	66.6	34%	0.336	40%	0.397	S	S	.	.			trans	-81.2	84.3	174.6	59.8	0	0	0	0	111.4	N444 I448	N444-S446 PolarHBondContact O-N 3.14Å; S446-I448 PolarHBondContact O-N 2.97Å
447	A	41.6	Very low	38.3	Very low	69 Å²	69	68.3 Å²	68.3	57%	0.57	41%	0.413	S	S	*	.			trans	-61.7	92.2	169.3	0	0	0	0	0	110.9	E445 S449	E445-A447 PolarHBondContact O-N 3.03Å; A447-S449 PolarHBondContact O-N 2.87Å
448	I	42	Very low	38.2	Very low	15 Å²	15	77.4 Å²	77.4	8%	0.077	45%	0.452	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.1	171.3	-67.3	165.5	0	0	0	111.1	L184 I187 P198 F203 S446	L184-I448 HydrophobicContact CD2-CB 4.31Å; L184-I448 HydrophobicContact CD2-CD1 4.02Å; L184-I448 HydrophobicContact CD2-CG2 4.05Å; I187-I448 HydrophobicContact CG2-CD1 4.1Å; P198-I448 HydrophobicContact CB-CD1 3.46Å; P198-I448 VanDerWaalsContact CB-CD1 3.46Å; P198-I448 HydrophobicContact CB-CG1 3.39Å; P198-I448 HydrophobicContact CG-CD1 4.36Å; P198-I448 HydrophobicContact CG-CG1 4.46Å; F203-I448 HydrophobicContact CE1-CG2 3.96Å; F203-I448 HydrophobicContact CZ-CG2 3.92Å; S446-I448 PolarHBondContact O-N 2.97Å
449	S	44.5	Very low	38.6	Very low	37 Å²	37	77 Å²	77	26%	0.259	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-16.5	-168	67.9	0	0	0	0	117.3	N380 A447	N380-S449 VanDerWaalsContact CG-OG 3.3Å; N380-S449 WeakPolarHBondContact ND2-CB 3.46Å; N380-S449 PolarHBondContact ND2-OG 3.5Å; N380-S449 VanDerWaalsContact OD1-CB 3.32Å; N380-S449 WeakPolarHBondContact OD1-CB 3.4Å; N380-S449 PolarHBondContact OD1-OG 3.37Å; A447-S449 PolarHBondContact O-N 2.87Å
450	S	39.6	Very low	38.9	Very low	86 Å²	86	80.8 Å²	80.8	60%	0.601	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-18.4	-173.5	-52.4	0	0	0	0	114.3	S453	S450-S453 PolarHBondContact O-OG 2.92Å
451	A	38.1	Very low	39.8	Very low	56 Å²	56	82.9 Å²	82.9	46%	0.463	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.8	-174.4	0	0	0	0	0	113.9
452	N	43.2	Very low	41.8	Very low	4 Å²	4	81.8 Å²	81.8	2%	0.021	48%	0.475	C	S	.	.	S	Bend	trans	-106	7.1	-175.8	-65.5	-20.3	0	0	0	113.4	F201 S202 F250 L251	F201-N452 PolarHBondContact O-ND2 3.43Å; S202-N452 WeakPolarHBondContact CA-ND2 3.44Å; S202-N452 WeakPolarHBondContact CB-OD1 3.42Å; S202-N452 PolarHBondContact OG-OD1 3.12Å; F250-N452 WeakPolarHBondContact CA-O 3.41Å; F250-N452 WeakPolarHBondContact CB-O 3.05Å; F250-N452 WeakPolarHBondContact CD1-O 3.33Å; L251-N452 HydrophobicContact CG-CB 4.24Å; L251-N452 PolarHBondContact N-O 3.24Å
453	S	47.8	Very low	44.2	Very low	64 Å²	64	78.6 Å²	78.6	45%	0.448	46%	0.461	S	S	.	.	S	Bend	trans	-81.8	137.5	167.9	50.7	0	0	0	0	109.6	S450	S450-S453 PolarHBondContact O-OG 2.92Å
454	L	46.8	Very low	47.1	Very low	54 Å²	54	77.4 Å²	77.4	28%	0.283	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-51.3	142.9	168.7	-111.6	78.4	0	0	0	109	F250 S456	F250-L454 HydrophobicContact CB-CD1 3.48Å; F250-L454 VanDerWaalsContact CB-CD1 3.48Å; F250-L454 HydrophobicContact CD1-CD1 4.17Å; F250-L454 HydrophobicContact CD2-CD1 3.78Å; F250-L454 HydrophobicContact CG-CD1 3.55Å; L454-S456 PolarHBondContact O-N 2.72Å
455	P	37.6	Very low	50.2	Low	104 Å²	104	75.9 Å²	75.9	68%	0.675	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-52.8	129.3	158.3	-14.3	26.8	0	0	0	106.4	S457	P455-S457 PolarHBondContact O-N 2.76Å
456	S	37.1	Very low	53.2	Low	107 Å²	107	68.6 Å²	68.6	75%	0.748	41%	0.414	S	S	*	.			trans	-60	75.7	175.2	-54.4	0	0	0	0	109.8	L454 K458	L454-S456 PolarHBondContact O-N 2.72Å; S456-K458 PolarHBondContact O-N 3.21Å
457	S	35.7	Very low	56	Low	71 Å²	71	66.5 Å²	66.5	50%	0.497	40%	0.399	S	S	.	.			trans	-62.3	128.4	159.7	57.2	0	0	0	0	104.8	P455 L459	P455-S457 PolarHBondContact O-N 2.76Å; S457-L459 PolarHBondContact O-N 3.01Å
458	K	35.2	Very low	58.5	Low	213 Å²	213	64.5 Å²	64.5	93%	0.926	39%	0.385	S	S	*	.			trans	-62.8	76.1	176.1	-68.4	175.5	177.7	177.2	0	108.2	S456 S460	S456-K458 PolarHBondContact O-N 3.21Å; K458-S460 PolarHBondContact O-N 3.08Å
459	L	43.8	Very low	61	Low	74 Å²	74	71.7 Å²	71.7	39%	0.387	42%	0.419	S	S	.	.			trans	-61.8	121.1	164	-90.1	113.4	0	0	0	106	N429 S457 F461	N429-L459 VanDerWaalsContact ND2-CD1 3.34Å; N429-L459 WeakPolarHBondContact ND2-CD1 3.46Å; S457-L459 PolarHBondContact O-N 3.01Å; L459-F461 PolarHBondContact O-N 3.43Å; L459-F461 VanDerWaalsContact O-N 3.14Å
460	S	45.6	Very low	63.2	Low	99 Å²	99	77.3 Å²	77.3	69%	0.692	45%	0.446	S	S	*	.			trans	-55.3	118.3	171.3	50.6	0	0	0	0	108.1	K458 I462	K458-S460 PolarHBondContact O-N 3.08Å; S460-I462 PolarHBondContact O-N 3.01Å
461	F	56.3	Low	65.7	Low	84 Å²	84	77.3 Å²	77.3	37%	0.368	44%	0.436	S	S	.	.			trans	-56.6	106.8	167.7	-111.9	-99.5	0	0	0	107.6	L459 H463 V487 G523 Y525	L459-F461 PolarHBondContact O-N 3.43Å; L459-F461 VanDerWaalsContact O-N 3.14Å; F461-H463 PolarHBondContact O-N 3.33Å; F461-V487 HydrophobicContact CE1-CG1 4.46Å; F461-G523 WeakPolarHBondContact CZ-O 3.35Å; F461-Y525 HydrophobicContact CD1-CE2 4.25Å; F461-Y525 HydrophobicContact CE1-CD2 4.49Å; F461-Y525 HydrophobicContact CE1-CE2 4.23Å
462	I	75.6	Confident	68.2	Low	45 Å²	45	82.8 Å²	82.8	23%	0.231	45%	0.449	C	S	.	.			trans	-78.7	114.3	167.4	-59.3	178.5	0	0	0	105.4	Y419 I425 S460	Y419-I462 HydrophobicContact CE1-CG2 4.26Å; Y419-I462 WeakPolarHBondContact CE1-O 3.32Å; Y419-I462 PolarHBondContact OH-O 3.29Å; I425-I462 HydrophobicContact CB-CD1 4.32Å; I425-I462 HydrophobicContact CD1-CD1 4.37Å; S460-I462 PolarHBondContact O-N 3.01Å
463	H	85.2	Confident	70.7	Confident	72 Å²	72	83.8 Å²	83.8	33%	0.333	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-77	140.9	174.9	-69.3	-69.6	0	0	0	110.4	F461 A486 H488 Y525	F461-H463 PolarHBondContact O-N 3.33Å; H463-A486 PolarHBondContact CE1-O 2.92Å; H463-H488 AromaticContact CD2-NE2 3.77Å; H463-H488 AromaticContact CG-CD2 3.57Å; H463-H488 AromaticContact CG-NE2 3.54Å; H463-H488 AromaticContact ND1-CD2 3.61Å; H463-H488 AromaticContact ND1-NE2 3.74Å; H463-Y525 PolarHBondContact ND1-OH 3.03Å; H463-Y525 VanDerWaalsContact ND1-OH 3.15Å
464	P	92.4	Very high	73	Confident	9 Å²	9	83.5 Å²	83.5	6%	0.058	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-67.7	154.1	174.6	30	-35.1	0	0	0	111.1	L417 Y418 Y419 V479 Y525	L417-P464 HydrophobicContact CB-CB 4.03Å; L417-P464 HydrophobicContact CB-CG 3.87Å; L417-P464 HydrophobicContact CD1-CG 4.09Å; L417-P464 HydrophobicContact CD2-CG 4.39Å; L417-P464 HydrophobicContact CG-CG 4.34Å; Y418-P464 CarbonylContact O-C 3.6Å; Y418-P464 WeakPolarHBondContact O-CA 3.46Å; Y418-P464 WeakPolarHBondContact O-CB 3.44Å; Y419-P464 HydrophobicContact CD1-CB 4.24Å; Y419-P464 HydrophobicContact CE1-CB 3.99Å; Y419-P464 HydrophobicContact CE2-CB 4.49Å; P464-V479 HydrophobicContact CB-CG2 3.82Å; P464-V479 HydrophobicContact CG-CG2 4.05Å; P464-Y525 VanDerWaalsContact CD-CE2 3.43Å; P464-Y525 WeakPolarHBondContact CD-OH 3.14Å; P464-Y525 HydrophobicContact CG-CD1 3.73Å; P464-Y525 HydrophobicContact CG-CD2 4.44Å; P464-Y525 HydrophobicContact CG-CE1 3.43Å; P464-Y525 VanDerWaalsContact CG-CE1 3.43Å; P464-Y525 HydrophobicContact CG-CE2 4.19Å; P464-Y525 HydrophobicContact CG-CG 4.2Å
465	L	94.5	Very high	75.3	Confident	78 Å²	78	81.2 Å²	81.2	41%	0.408	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	163	173.1	-60.5	175.5	0	0	0	110.2	L417 Y418 N420	L417-L465 CarbonylContact C-O 3.55Å; L417-L465 VanDerWaalsContact CA-O 3.24Å; L417-L465 WeakPolarHBondContact CA-O 3.45Å; Y418-L465 HydrophobicContact CD1-CB 4.01Å; Y418-L465 HydrophobicContact CE1-CB 3.63Å; Y418-L465 HydrophobicContact CE2-CB 4.49Å; Y418-L465 HydrophobicContact CE2-CD1 4.26Å; Y418-L465 PolarHBondContact N-O 2.81Å; Y418-L465 PolarHBondContact O-N 3.15Å; N420-L465 HydrophobicContact CB-CD1 4.43Å
466	V	96.6	Very high	78	Confident	51 Å²	51	79.6 Å²	79.6	31%	0.309	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130	174.9	-175.6	0	0	0	0	108.7	D416 L417 G468 K491	D416-V466 CarbonylContact O-C 3.51Å; D416-V466 WeakPolarHBondContact O-CA 3.31Å; L417-V466 HydrophobicContact CD2-CG2 3.86Å; V466-G468 PolarHBondContact O-N 2.81Å; V466-K491 HydrophobicContact CG1-CB 4.08Å; V466-K491 HydrophobicContact CG1-CD 4.11Å; V466-K491 HydrophobicContact CG1-CG 4.11Å; V466-K491 HydrophobicContact CG2-CD 4.18Å; V466-K491 HydrophobicContact CG2-CG 4.26Å
467	V	96.1	Very high	80.7	Confident	4 Å²	4	75.8 Å²	75.8	2%	0.024	40%	0.398	C	S	.	.			trans	-65.8	125.7	176.8	-179.8	0	0	0	0	110.3	A412 G415 D416 Y418 E471 I473	A412-V467 HydrophobicContact CB-CG1 4.26Å; A412-V467 HydrophobicContact CB-CG2 3.85Å; G415-V467 PolarHBondContact N-O 2.8Å; D416-V467 HydrophobicContact CB-CB 4.38Å; D416-V467 HydrophobicContact CB-CG2 3.91Å; D416-V467 WeakPolarHBondContact O-CG2 3.27Å; D416-V467 PolarHBondContact O-N 2.84Å; Y418-V467 HydrophobicContact CD1-CB 4.45Å; Y418-V467 HydrophobicContact CD1-CG2 3.39Å; Y418-V467 HydrophobicContact CE1-CB 4.49Å; Y418-V467 HydrophobicContact CE1-CG2 3.81Å; Y418-V467 HydrophobicContact CG-CG2 4.21Å; V467-E471 HydrophobicContact CG1-CB 4.13Å; V467-I473 HydrophobicContact CG1-CG1 4.3Å; V467-I473 HydrophobicContact CG2-CB 4.26Å; V467-I473 HydrophobicContact CG2-CG1 4.09Å
468	G	95.6	Very high	83.6	Confident	27 Å²	27	72.4 Å²	72.4	28%	0.278	38%	0.375	S	S	.	.			trans	-75.5	171.8	173.9	0	0	0	0	0	114	V466 N470 E471	V466-G468 PolarHBondContact O-N 2.81Å; G468-N470 VanDerWaalsContact C-N 3.31Å; G468-N470 PolarHBondContact O-N 3.33Å; G468-E471 PolarHBondContact N-OE2 2.92Å; G468-E471 VanDerWaalsContact N-OE2 3.13Å; G468-E471 PolarHBondContact O-N 3.34Å
469	E	92.8	Very high	86.5	Confident	167 Å²	167	62.4 Å²	62.4	78%	0.78	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-33.7	-175.1	-68.3	-173.2	169	0	0	114.5
470	N	90.8	Very high	89.1	Confident	155 Å²	155	58.9 Å²	58.9	83%	0.829	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	13.4	-175	-64.4	-48.8	0	0	0	113.3	G468	G468-N470 VanDerWaalsContact C-N 3.31Å; G468-N470 PolarHBondContact O-N 3.33Å
471	E	92.4	Very high	91.5	Very high	85 Å²	85	54.1 Å²	54.1	40%	0.397	28%	0.28	S	S	.	.			trans	-83.1	125.7	-179.4	-68.5	-175.8	178.1	0	0	111.4	Y418 V467 G468 I473	Y418-E471 PolarHBondContact OH-OE2 3.33Å; V467-E471 HydrophobicContact CG1-CB 4.13Å; G468-E471 PolarHBondContact N-OE2 2.92Å; G468-E471 VanDerWaalsContact N-OE2 3.13Å; G468-E471 PolarHBondContact O-N 3.34Å; E471-I473 HydrophobicContact CB-CG1 4.17Å; E471-I473 PolarHBondContact O-N 2.64Å
472	K	92	Very high	93.5	Very high	171 Å²	171	50.2 Å²	50.2	74%	0.743	26%	0.263	S	S	*	.			trans	-91.6	74	175.9	-67.5	-171.2	179.1	-177.4	0	111.1	F411	F411-K472 HydrophobicContact CD1-CB 4.03Å; F411-K472 HydrophobicContact CE1-CB 4.08Å
473	I	95.1	Very high	94.5	Very high	26 Å²	26	48 Å²	48	13%	0.133	25%	0.252	C	S	.	.			trans	-86.6	130.8	176.1	-57.7	-54.7	0	0	0	109.9	F411 A412 Y418 V467 E471	F411-I473 CarbonylContact C-O 3.59Å; F411-I473 WeakPolarHBondContact CA-O 3.26Å; A412-I473 HydrophobicContact CB-CB 3.95Å; A412-I473 HydrophobicContact CB-CG2 4.29Å; A412-I473 PolarHBondContact N-O 3.47Å; Y418-I473 HydrophobicContact CD1-CG1 4.36Å; Y418-I473 HydrophobicContact CD1-CG2 4.47Å; Y418-I473 HydrophobicContact CD2-CD1 4.2Å; Y418-I473 HydrophobicContact CD2-CG1 4.26Å; Y418-I473 HydrophobicContact CD2-CG2 3.76Å; Y418-I473 HydrophobicContact CE1-CD1 4.42Å; Y418-I473 HydrophobicContact CE1-CG1 4.08Å; Y418-I473 HydrophobicContact CE2-CD1 3.62Å; Y418-I473 HydrophobicContact CE2-CG1 4.01Å; Y418-I473 HydrophobicContact CE2-CG2 4.31Å; Y418-I473 HydrophobicContact CG-CG1 4.42Å; Y418-I473 HydrophobicContact CG-CG2 3.84Å; V467-I473 HydrophobicContact CG1-CG1 4.3Å; V467-I473 HydrophobicContact CG2-CB 4.26Å; V467-I473 HydrophobicContact CG2-CG1 4.09Å; E471-I473 HydrophobicContact CB-CG1 4.17Å; E471-I473 PolarHBondContact O-N 2.64Å
474	P	95	Very high	95	Very high	58 Å²	58	44.6 Å²	44.6	38%	0.377	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-59.4	138.9	174.9	-25.9	35.8	0	0	0	112.7	N476 S477	P474-N476 WeakPolarHBondContact CB-OD1 3.49Å; P474-N476 PolarHBondContact O-N 3.44Å; P474-S477 WeakPolarHBondContact O-CB 3.34Å; P474-S477 PolarHBondContact O-N 3Å
475	L	95.1	Very high	95	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-59.3	-30.6	-178.4	-176.7	65.3	0	0	0	113	M402 Q405 L410 S477 V478 L528 I529	M402-L475 HydrophobicContact CE-CD2 4.39Å; Q405-L475 HydrophobicContact CG-CD2 4.32Å; L410-L475 HydrophobicContact CD2-CD2 4.46Å; L410-L475 VanDerWaalsContact O-CB 3.23Å; L410-L475 WeakPolarHBondContact O-CB 3.4Å; L410-L475 PolarHBondContact O-N 3.09Å; L475-S477 PolarHBondContact O-N 3.43Å; L475-V478 HydrophobicContact CD1-CG2 4.28Å; L475-V478 VanDerWaalsContact O-CB 3.31Å; L475-V478 WeakPolarHBondContact O-CB 3.44Å; L475-V478 PolarHBondContact O-N 3.49Å; L475-V478 VanDerWaalsContact O-N 3.17Å; L475-L528 HydrophobicContact CD1-CD2 4.09Å; L475-I529 HydrophobicContact CD2-CG1 3.99Å; L475-I529 HydrophobicContact CG-CG1 3.8Å
476	N	94.3	Very high	95	Very high	70 Å²	70	47.4 Å²	47.4	37%	0.374	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-74	-6.1	175.8	68	-7.4	0	0	0	114.7	P474 I529 V531	P474-N476 WeakPolarHBondContact CB-OD1 3.49Å; P474-N476 PolarHBondContact O-N 3.44Å; N476-I529 HydrophobicContact CB-CB 4.44Å; N476-I529 HydrophobicContact CB-CG2 4.43Å; N476-V531 HydrophobicContact CB-CG2 4.08Å
477	S	94.4	Very high	94.9	Very high	27 Å²	27	45.5 Å²	45.5	19%	0.189	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-91.1	-13.9	170.4	-56.3	0	0	0	0	112.3	Y418 P474 L475	Y418-S477 WeakPolarHBondContact CA-O 3.18Å; Y418-S477 WeakPolarHBondContact CB-O 3.45Å; P474-S477 WeakPolarHBondContact O-CB 3.34Å; P474-S477 PolarHBondContact O-N 3Å; L475-S477 PolarHBondContact O-N 3.43Å
478	V	96.1	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.3	-180	177.3	0	0	0	0	110.5	A412 D416 L417 L475 L528	A412-V478 HydrophobicContact CB-CG2 3.37Å; D416-V478 HydrophobicContact CB-CG1 4.14Å; D416-V478 HydrophobicContact CB-CG2 4.37Å; L417-V478 CarbonylContact O-C 3.55Å; L417-V478 WeakPolarHBondContact O-CA 3.19Å; L475-V478 HydrophobicContact CD1-CG2 4.28Å; L475-V478 VanDerWaalsContact O-CB 3.31Å; L475-V478 WeakPolarHBondContact O-CB 3.44Å; L475-V478 PolarHBondContact O-N 3.49Å; L475-V478 VanDerWaalsContact O-N 3.17Å; V478-L528 HydrophobicContact CB-CB 4.31Å; V478-L528 HydrophobicContact CB-CD2 4.4Å; V478-L528 HydrophobicContact CG1-CB 4.11Å; V478-L528 HydrophobicContact CG1-CD2 3.92Å; V478-L528 PolarHBondContact O-N 3.48Å
479	V	96.7	Very high	94.9	Very high	3 Å²	3	51 Å²	51	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.1	172.4	-61.1	0	0	0	0	110.1	L417 Y419 P464 Y525 R526 K527	L417-V479 HydrophobicContact CB-CG2 3.88Å; L417-V479 PolarHBondContact O-N 2.75Å; Y419-V479 HydrophobicContact CD2-CG1 3.81Å; Y419-V479 HydrophobicContact CD2-CG2 4.38Å; Y419-V479 HydrophobicContact CE2-CG1 3.97Å; Y419-V479 HydrophobicContact CE2-CG2 4.2Å; P464-V479 HydrophobicContact CB-CG2 3.82Å; P464-V479 HydrophobicContact CG-CG2 4.05Å; V479-Y525 HydrophobicContact CG2-CD1 4.24Å; V479-R526 CarbonylContact C-O 3.55Å; V479-R526 VanDerWaalsContact CA-O 3.29Å; V479-R526 WeakPolarHBondContact CA-O 3.44Å; V479-K527 HydrophobicContact CG1-CG 4.22Å
480	L	97.9	Very high	95.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	143.6	167.9	-69.2	180	0	0	0	109.2	W394 V397 A398 V482 P490 R526 L528	W394-L480 HydrophobicContact CZ2-CB 4.27Å; W394-L480 HydrophobicContact CZ2-CD1 4.48Å; W394-L480 PolarHBondContact NE1-O 3.33Å; V397-L480 HydrophobicContact CG1-CD1 4.24Å; A398-L480 HydrophobicContact CB-CD1 3.95Å; L480-V482 PolarHBondContact O-N 3.19Å; L480-P490 HydrophobicContact CD2-CG 4.29Å; L480-R526 PolarHBondContact N-O 3.44Å; L480-R526 PolarHBondContact O-N 3.5Å; L480-L528 HydrophobicContact CD1-CD1 3.86Å; L480-L528 HydrophobicContact CG-CD1 4.47Å
481	P	97.2	Very high	95.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.3	177.7	28.6	-33.3	0	0	0	110.4	P483 V487 Y489 Y498 S524 Y525	P481-P483 WeakPolarHBondContact O-CD 3.43Å; P481-V487 HydrophobicContact CB-CB 4.1Å; P481-V487 HydrophobicContact CB-CG2 3.83Å; P481-Y489 HydrophobicContact CG-CD1 3.97Å; P481-Y489 HydrophobicContact CG-CE1 4.28Å; P481-Y498 HydrophobicContact CG-CD2 4.49Å; P481-Y498 HydrophobicContact CG-CE2 3.72Å; P481-Y498 VanDerWaalsContact O-CZ 3.32Å; P481-Y498 PolarHBondContact O-OH 3.05Å; P481-S524 CarbonylContact C-O 3.57Å; P481-S524 WeakPolarHBondContact CA-O 3.01Å; P481-Y525 HydrophobicContact CB-CD1 4.21Å; P481-Y525 HydrophobicContact CB-CE1 4.13Å
482	V	96.9	Very high	95.6	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	114.7	156.1	-178.3	0	0	0	0	105.4	Y289 Q390 L480 G484 G523 S524 R526	Y289-V482 WeakPolarHBondContact OH-CG2 3.47Å; Q390-V482 HydrophobicContact CB-CG1 3.69Å; Q390-V482 HydrophobicContact CG-CG1 4.34Å; L480-V482 PolarHBondContact O-N 3.19Å; V482-G484 PolarHBondContact O-N 3.39Å; V482-G523 WeakPolarHBondContact O-CA 3.44Å; V482-S524 WeakPolarHBondContact CB-OG 3.18Å; V482-S524 VanDerWaalsContact CG2-OG 3.23Å; V482-S524 WeakPolarHBondContact CG2-OG 3.42Å; V482-S524 PolarHBondContact N-O 3.33Å; V482-S524 PolarHBondContact O-N 3.5Å; V482-R526 HydrophobicContact CG2-CB 3.93Å
483	P	96.9	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-63.8	135.2	-160.2	25.3	-35.4	0	0	0	111.5	Q390 L393 P481 Y489 Y498 F512	Q390-P483 HydrophobicContact CB-CG 4.15Å; Q390-P483 HydrophobicContact CG-CG 4.33Å; Q390-P483 PolarHBondContact NE2-O 2.89Å; L393-P483 HydrophobicContact CB-CG 4.03Å; L393-P483 HydrophobicContact CD1-CG 3.89Å; P481-P483 WeakPolarHBondContact O-CD 3.43Å; P483-Y489 HydrophobicContact CB-CE1 4.35Å; P483-Y498 HydrophobicContact CB-CD1 3.95Å; P483-Y498 HydrophobicContact CB-CE1 3.9Å; P483-Y498 HydrophobicContact CG-CD1 4.31Å; P483-Y498 HydrophobicContact CG-CE1 3.98Å; P483-F512 HydrophobicContact CB-CE2 3.76Å; P483-F512 HydrophobicContact CB-CZ 4.1Å; P483-F512 HydrophobicContact CG-CE2 4.42Å; P483-F512 HydrophobicContact CG-CZ 4.26Å
484	G	95.5	Very high	95.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.187	C	C	.	.			trans	-172.6	177.5	-176.3	0	0	0	0	0	111.9	V482 V487 Y489 L521 P522	V482-G484 PolarHBondContact O-N 3.39Å; G484-V487 WeakPolarHBondContact O-CG2 3.5Å; G484-Y489 PolarHBondContact N-OH 3.21Å; G484-Y489 PolarHBondContact O-OH 3.19Å; G484-L521 CarbonylContact C-O 3.57Å; G484-L521 WeakPolarHBondContact CA-O 3.44Å; G484-P522 CarbonylContact C-O 3.54Å
485	Y	94.1	Very high	96	Very high	110 Å²	110	36 Å²	36	43%	0.431	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-14.9	-174	65.5	-100.7	0	0	0	114.8	F512 S513 A520 L521 P522	Y485-F512 HydrophobicContact CD1-CB 4.46Å; Y485-F512 WeakPolarHBondContact CD1-O 3.49Å; Y485-S513 WeakPolarHBondContact CB-OG 3.37Å; Y485-S513 VanDerWaalsContact CG-OG 3.22Å; Y485-A520 HydrophobicContact CE1-CB 4.35Å; Y485-L521 VanDerWaalsContact CD1-C 3.42Å; Y485-L521 WeakPolarHBondContact CD1-O 3.48Å; Y485-L521 WeakPolarHBondContact CE1-O 3.34Å; Y485-L521 PolarHBondContact N-O 2.97Å; Y485-P522 HydrophobicContact CE1-CB 4.15Å; Y485-P522 VanDerWaalsContact CE1-N 3.31Å; Y485-P522 HydrophobicContact CE2-CB 4.27Å; Y485-P522 PolarHBondContact N-O 3.26Å
486	A	92.8	Very high	96.2	Very high	35 Å²	35	40.2 Å²	40.2	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	15.6	-174.7	0	0	0	0	0	113.2	H463 P522	H463-A486 PolarHBondContact CE1-O 2.92Å; A486-P522 WeakPolarHBondContact CA-O 3.38Å; A486-P522 HydrophobicContact CB-CB 4Å; A486-P522 WeakPolarHBondContact CB-O 3.34Å; A486-P522 PolarHBondContact N-O 3.03Å
487	V	94.4	Very high	96.4	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.067	19%	0.188	C	C	.	.	S	Bend	trans	-111.3	148.7	179.4	-63.5	0	0	0	0	112	F461 P481 G484 Y489 Y525	F461-V487 HydrophobicContact CE1-CG1 4.46Å; P481-V487 HydrophobicContact CB-CB 4.1Å; P481-V487 HydrophobicContact CB-CG2 3.83Å; G484-V487 WeakPolarHBondContact O-CG2 3.5Å; V487-Y489 HydrophobicContact CG2-CD2 4.48Å; V487-Y489 HydrophobicContact CG2-CE2 3.89Å; V487-Y525 HydrophobicContact CB-CE1 4.21Å; V487-Y525 HydrophobicContact CG1-CE1 4.47Å; V487-Y525 HydrophobicContact CG1-CE2 4.18Å
488	H	94.8	Very high	96.6	Very high	99 Å²	99	37.3 Å²	37.3	46%	0.458	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-80.1	135.1	163.8	-62.3	-27.4	0	0	0	110.7	L417 H463 Y525	L417-H488 VanDerWaalsContact CD1-O 3.24Å; L417-H488 WeakPolarHBondContact CD1-O 3.48Å; H463-H488 AromaticContact CD2-NE2 3.77Å; H463-H488 AromaticContact CG-CD2 3.57Å; H463-H488 AromaticContact CG-NE2 3.54Å; H463-H488 AromaticContact ND1-CD2 3.61Å; H463-H488 AromaticContact ND1-NE2 3.74Å; H488-Y525 PolarHBondContact N-OH 3.44Å
489	Y	97.2	Very high	96.6	Very high	49 Å²	49	41.6 Å²	41.6	19%	0.192	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-92.2	149.4	172.6	-69.9	-96	0	0	0	110.1	P481 P483 G484 V487 Y498 V509	P481-Y489 HydrophobicContact CG-CD1 3.97Å; P481-Y489 HydrophobicContact CG-CE1 4.28Å; P483-Y489 HydrophobicContact CB-CE1 4.35Å; G484-Y489 PolarHBondContact N-OH 3.21Å; G484-Y489 PolarHBondContact O-OH 3.19Å; V487-Y489 HydrophobicContact CG2-CD2 4.48Å; V487-Y489 HydrophobicContact CG2-CE2 3.89Å; Y489-Y498 AromaticContact CD1-CD2 3.67Å; Y489-Y498 HydrophobicContact CD1-CD2 3.67Å; Y489-Y498 HydrophobicContact CD1-CE2 4.27Å; Y489-Y498 AromaticContact CD1-CG 3.91Å; Y489-Y498 HydrophobicContact CD1-CG 3.91Å; Y489-Y498 HydrophobicContact CE1-CD1 4.07Å; Y489-Y498 AromaticContact CE1-CD2 3.9Å; Y489-Y498 HydrophobicContact CE1-CD2 3.9Å; Y489-Y498 HydrophobicContact CE1-CE2 4.46Å; Y489-Y498 AromaticContact CE1-CG 3.7Å; Y489-Y498 HydrophobicContact CE1-CG 3.7Å; Y489-V509 HydrophobicContact CE2-CG1 3.94Å; Y489-V509 HydrophobicContact CE2-CG2 4.03Å
490	P	97.4	Very high	96.7	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-55.7	151.2	179.9	-26.6	35.6	0	0	0	113	G415 L417 L480 N492 A495	G415-P490 WeakPolarHBondContact O-CB 3.23Å; L417-P490 HydrophobicContact CD1-CG 3.99Å; L417-P490 HydrophobicContact CG-CB 4.31Å; L417-P490 HydrophobicContact CG-CG 4.05Å; L480-P490 HydrophobicContact CD2-CG 4.29Å; P490-N492 PolarHBondContact O-N 3.43Å; P490-A495 WeakPolarHBondContact O-CB 3.19Å
491	K	96.4	Very high	96.7	Very high	170 Å²	170	48.5 Å²	48.5	74%	0.739	24%	0.236	S	C	*	.	S	Bend	trans	-91.1	39.8	176.5	-61.1	-169.3	-177.5	173.3	0	111.8	G415 V466	G415-K491 PolarHBondContact O-N 3.24Å; V466-K491 HydrophobicContact CG1-CB 4.08Å; V466-K491 HydrophobicContact CG1-CD 4.11Å; V466-K491 HydrophobicContact CG1-CG 4.11Å; V466-K491 HydrophobicContact CG2-CD 4.18Å; V466-K491 HydrophobicContact CG2-CG 4.26Å
492	N	96.5	Very high	96.8	Very high	34 Å²	34	48.6 Å²	48.6	18%	0.182	24%	0.236	C	C	.	.	S	Bend	trans	-145.3	-173.9	177.7	65.8	26.6	0	0	0	110.2	P414 G415 D416 P490 S494 A495	P414-N492 WeakPolarHBondContact O-CB 3.38Å; P414-N492 PolarHBondContact O-ND2 2.68Å; G415-N492 VanDerWaalsContact C-ND2 3.33Å; D416-N492 PolarHBondContact N-ND2 2.99Å; D416-N492 PolarHBondContact OD1-ND2 3.02Å; P490-N492 PolarHBondContact O-N 3.43Å; N492-S494 PolarHBondContact O-N 2.76Å; N492-S494 WeakPolarHBondContact OD1-CB 3.12Å; N492-S494 PolarHBondContact OD1-N 3.14Å; N492-S494 PolarHBondContact OD1-OG 3.1Å; N492-A495 PolarHBondContact O-N 2.89Å
493	H	96.7	Very high	96.8	Very high	118 Å²	118	56.5 Å²	56.5	55%	0.546	27%	0.271	S	S	.	.	H	α-helix	trans	-53.5	-19.9	-177.9	-69.5	-53	0	0	0	115.3	A495 D496 W497	H493-A495 VanDerWaalsContact C-N 3.25Å; H493-A495 PolarHBondContact O-N 3.22Å; H493-D496 IonicContact ND1-OD2 2.7Å; H493-D496 PolarHBondContact ND1-OD2 3.22Å; H493-D496 WeakPolarHBondContact O-CB 3.39Å; H493-D496 PolarHBondContact O-N 3.09Å; H493-D496 VanDerWaalsContact O-N 3.07Å; H493-W497 HydrophobicContact CB-CH2 4.08Å; H493-W497 HydrophobicContact CB-CZ2 3.71Å; H493-W497 PolarHBondContact O-N 2.98Å
494	S	97.5	Very high	96.8	Very high	1 Å²	1	62 Å²	62	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-36.7	175.4	-49.1	0	0	0	0	112.7	N492 W497 Y498	N492-S494 PolarHBondContact O-N 2.76Å; N492-S494 WeakPolarHBondContact OD1-CB 3.12Å; N492-S494 PolarHBondContact OD1-N 3.14Å; N492-S494 PolarHBondContact OD1-OG 3.1Å; S494-W497 VanDerWaalsContact CA-CE3 3.44Å; S494-W497 PolarHBondContact O-N 3.32Å; S494-Y498 WeakPolarHBondContact O-CD2 3.05Å; S494-Y498 PolarHBondContact O-N 3.22Å
495	A	97.9	Very high	96.8	Very high	20 Å²	20	62.3 Å²	62.3	17%	0.165	30%	0.299	C	S	.	.	H	α-helix	trans	-67.9	-35.8	175	0	0	0	0	0	112.7	P490 N492 H493 W497 Y498 T499	P490-A495 WeakPolarHBondContact O-CB 3.19Å; N492-A495 PolarHBondContact O-N 2.89Å; H493-A495 VanDerWaalsContact C-N 3.25Å; H493-A495 PolarHBondContact O-N 3.22Å; A495-W497 VanDerWaalsContact C-N 3.31Å; A495-W497 PolarHBondContact O-N 3.03Å; A495-Y498 PolarHBondContact O-N 2.95Å; A495-T499 PolarHBondContact O-N 3.31Å; A495-T499 VanDerWaalsContact O-N 3.1Å; A495-T499 PolarHBondContact O-OG1 2.97Å
496	D	97.9	Very high	96.9	Very high	92 Å²	92	65.4 Å²	65.4	49%	0.492	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-39.6	176.2	-57.2	-34	0	0	0	110.6	H493 T499 K500	H493-D496 IonicContact ND1-OD2 2.7Å; H493-D496 PolarHBondContact ND1-OD2 3.22Å; H493-D496 WeakPolarHBondContact O-CB 3.39Å; H493-D496 PolarHBondContact O-N 3.09Å; H493-D496 VanDerWaalsContact O-N 3.07Å; D496-T499 WeakPolarHBondContact O-CB 3.19Å; D496-T499 PolarHBondContact O-N 2.83Å; D496-K500 WeakPolarHBondContact O-CB 3.43Å; D496-K500 PolarHBondContact O-N 3.15Å
497	W	98.3	Very high	97.2	Very high	36 Å²	36	64 Å²	64	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-41	177.4	-58.7	-31.9	0	0	0	112.8	V397 L400 R401 H404 H493 S494 A495 T499 K500 L501	V397-W497 HydrophobicContact CG1-CE3 4.25Å; V397-W497 HydrophobicContact CG2-CB 4.15Å; L400-W497 HydrophobicContact CB-CD2 3.65Å; L400-W497 HydrophobicContact CB-CE3 3.47Å; L400-W497 VanDerWaalsContact CB-CE3 3.47Å; L400-W497 HydrophobicContact CB-CG 4.28Å; L400-W497 HydrophobicContact CB-CH2 4.25Å; L400-W497 HydrophobicContact CB-CZ2 4.33Å; L400-W497 HydrophobicContact CB-CZ3 3.85Å; L400-W497 HydrophobicContact CD1-CB 3.85Å; L400-W497 HydrophobicContact CD1-CD2 3.97Å; L400-W497 HydrophobicContact CD1-CE3 4.44Å; L400-W497 HydrophobicContact CD1-CG 3.68Å; L400-W497 HydrophobicContact CG-CD2 4.39Å; R401-W497 HydrophobicContact CB-CZ3 3.86Å; R401-W497 VanDerWaalsContact N-CZ3 3.26Å; H404-W497 AromaticContact CD2-CH2 3.44Å; H404-W497 VanDerWaalsContact CD2-CH2 3.44Å; H404-W497 WeakPolarHBondContact CD2-CH2 3.19Å; H404-W497 AromaticContact CD2-CZ2 3.53Å; H404-W497 AromaticContact NE2-CH2 3.84Å; H404-W497 AromaticContact NE2-CZ2 3.39Å; H404-W497 WeakPolarHBondContact NE2-CZ2 3.23Å; H493-W497 HydrophobicContact CB-CH2 4.08Å; H493-W497 HydrophobicContact CB-CZ2 3.71Å; H493-W497 PolarHBondContact O-N 2.98Å; S494-W497 VanDerWaalsContact CA-CE3 3.44Å; S494-W497 PolarHBondContact O-N 3.32Å; A495-W497 VanDerWaalsContact C-N 3.31Å; A495-W497 PolarHBondContact O-N 3.03Å; W497-T499 VanDerWaalsContact C-N 3.31Å; W497-T499 PolarHBondContact O-N 3.39Å; W497-K500 PolarHBondContact O-N 3.33Å; W497-L501 WeakPolarHBondContact O-CB 3.41Å; W497-L501 VanDerWaalsContact O-CG 3.29Å; W497-L501 WeakPolarHBondContact O-CG 3.24Å; W497-L501 PolarHBondContact O-N 3.41Å
498	Y	98.5	Very high	97.3	Very high	1 Å²	1	67.1 Å²	67.1	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-46.7	171.1	-80.8	-72.6	0	0	0	111.3	V397 P481 P483 Y489 S494 A495 K500 L501 L502	V397-Y498 HydrophobicContact CB-CE1 4.28Å; V397-Y498 HydrophobicContact CB-CE2 4.05Å; V397-Y498 HydrophobicContact CG1-CD2 4.06Å; V397-Y498 HydrophobicContact CG1-CE2 3.53Å; V397-Y498 HydrophobicContact CG2-CD1 3.84Å; V397-Y498 HydrophobicContact CG2-CD2 4Å; V397-Y498 HydrophobicContact CG2-CE1 3.8Å; V397-Y498 HydrophobicContact CG2-CE2 3.96Å; V397-Y498 HydrophobicContact CG2-CG 3.93Å; P481-Y498 HydrophobicContact CG-CD2 4.49Å; P481-Y498 HydrophobicContact CG-CE2 3.72Å; P481-Y498 VanDerWaalsContact O-CZ 3.32Å; P481-Y498 PolarHBondContact O-OH 3.05Å; P483-Y498 HydrophobicContact CB-CD1 3.95Å; P483-Y498 HydrophobicContact CB-CE1 3.9Å; P483-Y498 HydrophobicContact CG-CD1 4.31Å; P483-Y498 HydrophobicContact CG-CE1 3.98Å; Y489-Y498 AromaticContact CD1-CD2 3.67Å; Y489-Y498 HydrophobicContact CD1-CD2 3.67Å; Y489-Y498 HydrophobicContact CD1-CE2 4.27Å; Y489-Y498 AromaticContact CD1-CG 3.91Å; Y489-Y498 HydrophobicContact CD1-CG 3.91Å; Y489-Y498 HydrophobicContact CE1-CD1 4.07Å; Y489-Y498 AromaticContact CE1-CD2 3.9Å; Y489-Y498 HydrophobicContact CE1-CD2 3.9Å; Y489-Y498 HydrophobicContact CE1-CE2 4.46Å; Y489-Y498 AromaticContact CE1-CG 3.7Å; Y489-Y498 HydrophobicContact CE1-CG 3.7Å; S494-Y498 WeakPolarHBondContact O-CD2 3.05Å; S494-Y498 PolarHBondContact O-N 3.22Å; A495-Y498 PolarHBondContact O-N 2.95Å; Y498-K500 VanDerWaalsContact C-N 3.34Å; Y498-K500 PolarHBondContact O-N 3.38Å; Y498-L501 PolarHBondContact O-N 3.06Å; Y498-L502 WeakPolarHBondContact O-CB 3.45Å; Y498-L502 VanDerWaalsContact O-CG 3.27Å; Y498-L502 WeakPolarHBondContact O-CG 3.42Å; Y498-L502 PolarHBondContact O-N 3.4Å
499	T	98	Very high	97.3	Very high	89 Å²	89	64.7 Å²	64.7	55%	0.546	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-43.7	-179.8	-57.5	0	0	0	0	111.4	A495 D496 W497 K503	A495-T499 PolarHBondContact O-N 3.31Å; A495-T499 VanDerWaalsContact O-N 3.1Å; A495-T499 PolarHBondContact O-OG1 2.97Å; D496-T499 WeakPolarHBondContact O-CB 3.19Å; D496-T499 PolarHBondContact O-N 2.83Å; W497-T499 VanDerWaalsContact C-N 3.31Å; W497-T499 PolarHBondContact O-N 3.39Å; T499-K503 WeakPolarHBondContact O-CB 3.5Å; T499-K503 PolarHBondContact O-N 2.91Å
500	K	98.2	Very high	97.2	Very high	128 Å²	128	70.7 Å²	70.7	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-62.5	-52.4	177.3	180	-179.6	172.6	-175.9	0	111.9	D496 W497 Y498 L502 K503 E504	D496-K500 WeakPolarHBondContact O-CB 3.43Å; D496-K500 PolarHBondContact O-N 3.15Å; W497-K500 PolarHBondContact O-N 3.33Å; Y498-K500 VanDerWaalsContact C-N 3.34Å; Y498-K500 PolarHBondContact O-N 3.38Å; K500-L502 VanDerWaalsContact C-N 3.33Å; K500-L502 PolarHBondContact O-N 3.23Å; K500-K503 WeakPolarHBondContact O-CB 3.46Å; K500-K503 PolarHBondContact O-N 3.39Å; K500-K503 VanDerWaalsContact O-N 3.14Å; K500-E504 WeakPolarHBondContact CE-OE1 3.26Å; K500-E504 WeakPolarHBondContact O-CG 3.47Å; K500-E504 PolarHBondContact O-N 2.97Å
501	L	98.1	Very high	97.2	Very high	21 Å²	21	73.5 Å²	73.5	11%	0.11	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-37.8	-177.9	-69.6	167.4	0	0	0	112.2	L393 H396 V397 W497 Y498 E504 G505	L393-L501 HydrophobicContact CD2-CB 3.65Å; L393-L501 HydrophobicContact CD2-CD1 4.49Å; H396-L501 HydrophobicContact CB-CD1 3.68Å; H396-L501 HydrophobicContact CB-CD2 4.43Å; V397-L501 HydrophobicContact CG2-CD1 3.74Å; W497-L501 WeakPolarHBondContact O-CB 3.41Å; W497-L501 VanDerWaalsContact O-CG 3.29Å; W497-L501 WeakPolarHBondContact O-CG 3.24Å; W497-L501 PolarHBondContact O-N 3.41Å; Y498-L501 PolarHBondContact O-N 3.06Å; L501-E504 PolarHBondContact O-N 2.96Å; L501-G505 PolarHBondContact O-N 3.47Å; L501-G505 VanDerWaalsContact O-N 3.13Å
502	L	98.2	Very high	97.2	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-44.8	173	-76.1	169.5	0	0	0	111.2	Y389 L393 Y498 K500 E504 G505 Y506 L507 V509 F512	Y389-L502 HydrophobicContact CE1-CD2 4.37Å; L393-L502 HydrophobicContact CD1-CD2 3.6Å; L393-L502 HydrophobicContact CD1-CG 4.19Å; Y498-L502 WeakPolarHBondContact O-CB 3.45Å; Y498-L502 VanDerWaalsContact O-CG 3.27Å; Y498-L502 WeakPolarHBondContact O-CG 3.42Å; Y498-L502 PolarHBondContact O-N 3.4Å; K500-L502 VanDerWaalsContact C-N 3.33Å; K500-L502 PolarHBondContact O-N 3.23Å; L502-E504 VanDerWaalsContact C-N 3.34Å; L502-E504 PolarHBondContact O-N 3.04Å; L502-G505 CarbonylContact O-C 3.56Å; L502-G505 VanDerWaalsContact O-CA 3.3Å; L502-G505 WeakPolarHBondContact O-CA 3.48Å; L502-G505 PolarHBondContact O-N 3.3Å; L502-Y506 PolarHBondContact O-N 3.1Å; L502-Y506 VanDerWaalsContact O-N 3.14Å; L502-L507 CarbonylContact C-O 3.55Å; L502-L507 HydrophobicContact CB-CB 4.44Å; L502-L507 WeakPolarHBondContact CB-O 3.4Å; L502-L507 HydrophobicContact CD2-CB 4.02Å; L502-L507 CarbonylContact O-C 3.37Å; L502-L507 WeakPolarHBondContact O-CA 3.24Å; L502-L507 PolarHBondContact O-N 3.46Å; L502-L507 VanDerWaalsContact O-O 3.09Å; L502-V509 HydrophobicContact CD1-CG2 3.85Å; L502-F512 HydrophobicContact CD1-CE2 4.2Å; L502-F512 HydrophobicContact CD2-CE2 3.92Å; L502-F512 HydrophobicContact CD2-CZ 3.69Å
503	K	97.9	Very high	97.1	Very high	167 Å²	167	67.2 Å²	67.2	73%	0.726	33%	0.332	S	S	*	.	H	α-helix	trans	-61.6	-40.8	177.9	-173	179.4	179.4	-178.6	0	112.2	T499 K500 G505 Y506 L507	T499-K503 WeakPolarHBondContact O-CB 3.5Å; T499-K503 PolarHBondContact O-N 2.91Å; K500-K503 WeakPolarHBondContact O-CB 3.46Å; K500-K503 PolarHBondContact O-N 3.39Å; K500-K503 VanDerWaalsContact O-N 3.14Å; K503-G505 PolarHBondContact O-N 3.25Å; K503-Y506 WeakPolarHBondContact O-CA 3.25Å; K503-Y506 PolarHBondContact O-N 3.4Å; K503-L507 PolarHBondContact N-O 3.46Å
504	E	96.7	Very high	97.1	Very high	116 Å²	116	62.6 Å²	62.6	54%	0.542	31%	0.31	S	S	.	.	H	α-helix	trans	-60.1	-32.9	172.3	-70.9	169.9	-172	0	0	111.9	K500 L501 L502 Y506	K500-E504 WeakPolarHBondContact CE-OE1 3.26Å; K500-E504 WeakPolarHBondContact O-CG 3.47Å; K500-E504 PolarHBondContact O-N 2.97Å; L501-E504 PolarHBondContact O-N 2.96Å; L502-E504 VanDerWaalsContact C-N 3.34Å; L502-E504 PolarHBondContact O-N 3.04Å; E504-Y506 VanDerWaalsContact C-N 3.28Å; E504-Y506 PolarHBondContact O-N 2.98Å
505	G	95	Very high	96.9	Very high	5 Å²	5	68 Å²	68	5%	0.052	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.7	171.5	0	0	0	0	0	115.6	L501 L502 K503 L507	L501-G505 PolarHBondContact O-N 3.47Å; L501-G505 VanDerWaalsContact O-N 3.13Å; L502-G505 CarbonylContact O-C 3.56Å; L502-G505 VanDerWaalsContact O-CA 3.3Å; L502-G505 WeakPolarHBondContact O-CA 3.48Å; L502-G505 PolarHBondContact O-N 3.3Å; K503-G505 PolarHBondContact O-N 3.25Å; G505-L507 VanDerWaalsContact C-N 3.33Å
506	Y	97.2	Very high	96.7	Very high	176 Å²	176	68 Å²	68	69%	0.69	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	42.5	-169.6	-51.1	-89.9	0	0	0	113.1	L502 K503 E504	L502-Y506 PolarHBondContact O-N 3.1Å; L502-Y506 VanDerWaalsContact O-N 3.14Å; K503-Y506 WeakPolarHBondContact O-CA 3.25Å; K503-Y506 PolarHBondContact O-N 3.4Å; E504-Y506 VanDerWaalsContact C-N 3.28Å; E504-Y506 PolarHBondContact O-N 2.98Å
507	L	97.8	Very high	96.4	Very high	6 Å²	6	71.8 Å²	71.8	3%	0.031	36%	0.358	C	S	.	.			trans	-133.4	165.3	-178	-75.2	168.8	0	0	0	110.8	K307 I310 R311 Y389 L502 K503 G505 D511	K307-L507 HydrophobicContact CG-CD1 4.05Å; I310-L507 HydrophobicContact CB-CD1 4.48Å; I310-L507 HydrophobicContact CB-CD2 4.46Å; I310-L507 HydrophobicContact CG2-CD1 4.22Å; I310-L507 HydrophobicContact CG2-CD2 3.7Å; R311-L507 HydrophobicContact CG-CD1 4.23Å; R311-L507 HydrophobicContact CG-CD2 3.48Å; R311-L507 VanDerWaalsContact CG-CD2 3.48Å; R311-L507 HydrophobicContact CG-CG 3.83Å; Y389-L507 HydrophobicContact CD1-CD1 4.35Å; Y389-L507 HydrophobicContact CE1-CD1 3.47Å; Y389-L507 VanDerWaalsContact CE1-CD1 3.47Å; L502-L507 CarbonylContact C-O 3.55Å; L502-L507 HydrophobicContact CB-CB 4.44Å; L502-L507 WeakPolarHBondContact CB-O 3.4Å; L502-L507 HydrophobicContact CD2-CB 4.02Å; L502-L507 CarbonylContact O-C 3.37Å; L502-L507 WeakPolarHBondContact O-CA 3.24Å; L502-L507 PolarHBondContact O-N 3.46Å; L502-L507 VanDerWaalsContact O-O 3.09Å; K503-L507 PolarHBondContact N-O 3.46Å; G505-L507 VanDerWaalsContact C-N 3.33Å; L507-D511 HydrophobicContact CD2-CB 3.5Å; L507-D511 VanDerWaalsContact CD2-CB 3.5Å
508	T	97.1	Very high	96	Very high	75 Å²	75	71.2 Å²	71.2	46%	0.46	36%	0.358	S	S	.	.			trans	-137.2	169	172.6	68.9	0	0	0	0	109	K510 D511	T508-K510 PolarHBondContact O-N 3.43Å; T508-K510 PolarHBondContact OG1-N 3.12Å; T508-D511 WeakPolarHBondContact CA-OD2 3.17Å; T508-D511 WeakPolarHBondContact CB-OD2 3.2Å; T508-D511 PolarHBondContact N-OD2 3.37Å; T508-D511 WeakPolarHBondContact O-CB 3.36Å; T508-D511 PolarHBondContact O-N 3.08Å; T508-D511 VanDerWaalsContact O-N 3.14Å; T508-D511 PolarHBondContact OG1-OD2 3.3Å
509	V	95.4	Very high	95.8	Very high	48 Å²	48	71.1 Å²	71.1	29%	0.291	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-59.5	-30.1	176.5	178.5	0	0	0	0	112	Y489 L502 D511 F512	Y489-V509 HydrophobicContact CE2-CG1 3.94Å; Y489-V509 HydrophobicContact CE2-CG2 4.03Å; L502-V509 HydrophobicContact CD1-CG2 3.85Å; V509-D511 PolarHBondContact O-N 2.91Å; V509-F512 WeakPolarHBondContact O-CB 3.46Å; V509-F512 PolarHBondContact O-N 3.42Å
510	K	95.2	Very high	95.6	Very high	176 Å²	176	68.2 Å²	68.2	77%	0.765	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-64.9	-28.5	179.7	-65.6	-177.2	179.7	179.4	0	112.7	T508 F512 S513	T508-K510 PolarHBondContact O-N 3.43Å; T508-K510 PolarHBondContact OG1-N 3.12Å; K510-F512 PolarHBondContact O-N 2.98Å; K510-S513 WeakPolarHBondContact O-CB 3.27Å; K510-S513 PolarHBondContact O-N 3.06Å
511	D	97	Very high	95.5	Very high	62 Å²	62	62.2 Å²	62.2	33%	0.332	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-68.2	-19.3	179.9	-60	-67.3	0	0	0	112.4	I310 L507 T508 V509 S513	I310-D511 HydrophobicContact CG2-CB 4.06Å; L507-D511 HydrophobicContact CD2-CB 3.5Å; L507-D511 VanDerWaalsContact CD2-CB 3.5Å; T508-D511 WeakPolarHBondContact CA-OD2 3.17Å; T508-D511 WeakPolarHBondContact CB-OD2 3.2Å; T508-D511 PolarHBondContact N-OD2 3.37Å; T508-D511 WeakPolarHBondContact O-CB 3.36Å; T508-D511 PolarHBondContact O-N 3.08Å; T508-D511 VanDerWaalsContact O-N 3.14Å; T508-D511 PolarHBondContact OG1-OD2 3.3Å; V509-D511 PolarHBondContact O-N 2.91Å; D511-S513 VanDerWaalsContact C-N 3.27Å; D511-S513 PolarHBondContact O-N 3.39Å
512	F	96.3	Very high	95.3	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-70.4	-21.8	170.6	-65.7	-45	0	0	0	113.2	I310 L393 P483 Y485 L502 V509 K510 H514 A520 L521	I310-F512 HydrophobicContact CD1-CD1 4.37Å; I310-F512 HydrophobicContact CD1-CE1 3.97Å; I310-F512 HydrophobicContact CG2-CD1 4.36Å; L393-F512 HydrophobicContact CD1-CZ 4.12Å; P483-F512 HydrophobicContact CB-CE2 3.76Å; P483-F512 HydrophobicContact CB-CZ 4.1Å; P483-F512 HydrophobicContact CG-CE2 4.42Å; P483-F512 HydrophobicContact CG-CZ 4.26Å; Y485-F512 HydrophobicContact CD1-CB 4.46Å; Y485-F512 WeakPolarHBondContact CD1-O 3.49Å; L502-F512 HydrophobicContact CD1-CE2 4.2Å; L502-F512 HydrophobicContact CD2-CE2 3.92Å; L502-F512 HydrophobicContact CD2-CZ 3.69Å; V509-F512 WeakPolarHBondContact O-CB 3.46Å; V509-F512 PolarHBondContact O-N 3.42Å; K510-F512 PolarHBondContact O-N 2.98Å; F512-H514 PolarHBondContact O-N 3.22Å; F512-A520 CarbonylContact O-C 3.51Å; F512-A520 WeakPolarHBondContact O-CA 3.49Å; F512-L521 HydrophobicContact CB-CB 4.05Å; F512-L521 HydrophobicContact CD1-CB 4.06Å; F512-L521 HydrophobicContact CD1-CD1 3.56Å; F512-L521 HydrophobicContact CD1-CG 4.37Å; F512-L521 HydrophobicContact CE1-CD1 3.86Å; F512-L521 HydrophobicContact CG-CB 4.29Å; F512-L521 PolarHBondContact O-N 3.4Å
513	S	95.3	Very high	95	Very high	72 Å²	72	64 Å²	64	50%	0.503	33%	0.331	S	S	.	.	S	Bend	trans	-78.8	54.7	168.3	-61.1	0	0	0	0	111	Y485 K510 D511	Y485-S513 WeakPolarHBondContact CB-OG 3.37Å; Y485-S513 VanDerWaalsContact CG-OG 3.22Å; K510-S513 WeakPolarHBondContact O-CB 3.27Å; K510-S513 PolarHBondContact O-N 3.06Å; D511-S513 VanDerWaalsContact C-N 3.27Å; D511-S513 PolarHBondContact O-N 3.39Å
514	H	95.8	Very high	94.8	Very high	20 Å²	20	56.3 Å²	56.3	9%	0.093	30%	0.298	C	S	.	.			trans	-68.2	144	-171.6	-163.6	-83.5	0	0	0	112.6	I310 S312 W314 F512 V516 F519	I310-H514 PolarHBondContact O-CD2 3.22Å; I310-H514 PolarHBondContact O-NE2 3.36Å; S312-H514 PolarHBondContact OG-NE2 3.09Å; W314-H514 AromaticContact CH2-CE1 3.77Å; W314-H514 AromaticContact CH2-NE2 3.95Å; F512-H514 PolarHBondContact O-N 3.22Å; H514-V516 WeakPolarHBondContact ND1-CB 3.31Å; H514-V516 PolarHBondContact ND1-N 3.04Å; H514-V516 PolarHBondContact ND1-O 2.85Å; H514-V516 PolarHBondContact O-N 3.12Å; H514-F519 HydrophobicContact CB-CB 4.13Å; H514-F519 WeakPolarHBondContact CB-O 3.45Å; H514-F519 AromaticContact CE1-CD2 3.87Å
515	S	93.4	Very high	94.7	Very high	114 Å²	114	51.9 Å²	51.9	80%	0.797	28%	0.277	S	S	*	.	S	Bend	trans	-66.7	-35.3	-179	59.8	0	0	0	0	113.3	K517	S515-K517 PolarHBondContact O-N 3Å
516	V	94.4	Very high	94.7	Very high	21 Å²	21	52.1 Å²	52.1	13%	0.127	28%	0.276	C	S	.	.	S	Bend	trans	-78.6	114.2	170.5	-177	0	0	0	0	109.3	W314 L371 H514 D518 F519 A520	W314-V516 HydrophobicContact CH2-CG2 4.41Å; L371-V516 HydrophobicContact CD1-CG1 4.38Å; L371-V516 HydrophobicContact CD1-CG2 4.2Å; L371-V516 HydrophobicContact CD2-CG2 3.52Å; H514-V516 WeakPolarHBondContact ND1-CB 3.31Å; H514-V516 PolarHBondContact ND1-N 3.04Å; H514-V516 PolarHBondContact ND1-O 2.85Å; H514-V516 PolarHBondContact O-N 3.12Å; V516-D518 HydrophobicContact CG1-CB 4.47Å; V516-D518 PolarHBondContact O-N 3.02Å; V516-D518 VanDerWaalsContact O-N 3.11Å; V516-F519 HydrophobicContact CB-CD2 3.75Å; V516-F519 HydrophobicContact CB-CE2 4.26Å; V516-F519 HydrophobicContact CG1-CD2 3.77Å; V516-F519 HydrophobicContact CG1-CE2 3.91Å; V516-F519 HydrophobicContact CG1-CG 4.48Å; V516-F519 HydrophobicContact CG2-CD2 4.38Å; V516-F519 PolarHBondContact O-N 3.02Å; V516-A520 PolarHBondContact O-N 3.46Å
517	K	90.9	Very high	94.6	Very high	171 Å²	171	48.5 Å²	48.5	74%	0.743	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-50.5	-37.9	-176.8	-174.7	-179.3	178.4	-176.8	0	114.2	S515 F519 A520	S515-K517 PolarHBondContact O-N 3Å; K517-F519 PolarHBondContact O-N 3.33Å; K517-A520 PolarHBondContact O-N 3.07Å
518	D	88.8	Confident	94.6	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.128	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-68.8	-15.3	-178.7	-63.8	-30.5	0	0	0	113.5	R379 R382 V516	R379-D518 IonicContact CZ-OD1 3.53Å; R379-D518 IonicContact NE-OD1 3.77Å; R379-D518 PolarHBondContact NE-OD1 3.47Å; R379-D518 IonicContact NH2-OD1 3.64Å; R382-D518 IonicContact CZ-OD2 2.69Å; R382-D518 IonicContact NH1-OD2 2.9Å; R382-D518 PolarHBondContact NH1-OD2 2.82Å; R382-D518 IonicContact NH2-OD2 3.81Å; R382-D518 PolarHBondContact NH2-OD2 3.28Å; V516-D518 HydrophobicContact CG1-CB 4.47Å; V516-D518 PolarHBondContact O-N 3.02Å; V516-D518 VanDerWaalsContact O-N 3.11Å
519	F	95.3	Very high	94.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-113.5	4.2	177.2	-48.9	-42.7	0	0	0	112.5	L309 W314 L371 I374 R382 V386 H514 V516 K517	L309-F519 HydrophobicContact CB-CD1 4.48Å; L309-F519 HydrophobicContact CB-CE1 4.37Å; L309-F519 HydrophobicContact CB-CZ 4.49Å; L309-F519 HydrophobicContact CD1-CE1 3.99Å; L309-F519 HydrophobicContact CD1-CZ 4.37Å; L309-F519 HydrophobicContact CD2-CE1 4.48Å; L309-F519 HydrophobicContact CD2-CZ 4.05Å; W314-F519 AromaticContact CH2-CD2 3.86Å; W314-F519 HydrophobicContact CH2-CD2 3.86Å; W314-F519 AromaticContact CH2-CE2 3.68Å; W314-F519 HydrophobicContact CH2-CE2 3.68Å; W314-F519 AromaticContact CZ3-CD2 3.95Å; W314-F519 HydrophobicContact CZ3-CD2 3.95Å; W314-F519 AromaticContact CZ3-CE2 3.45Å; W314-F519 HydrophobicContact CZ3-CE2 3.45Å; W314-F519 VanDerWaalsContact CZ3-CE2 3.45Å; W314-F519 HydrophobicContact CZ3-CZ 4.31Å; L371-F519 HydrophobicContact CD1-CE2 3.82Å; L371-F519 HydrophobicContact CD1-CZ 4.46Å; I374-F519 HydrophobicContact CG2-CZ 4.2Å; R382-F519 HydrophobicContact CB-CE1 4.03Å; V386-F519 HydrophobicContact CG1-CB 4.32Å; V386-F519 HydrophobicContact CG1-CD1 3.72Å; V386-F519 HydrophobicContact CG1-CE1 4.45Å; V386-F519 HydrophobicContact CG1-CG 4.3Å; V386-F519 HydrophobicContact CG2-CD1 4.38Å; H514-F519 HydrophobicContact CB-CB 4.13Å; H514-F519 WeakPolarHBondContact CB-O 3.45Å; H514-F519 AromaticContact CE1-CD2 3.87Å; V516-F519 HydrophobicContact CB-CD2 3.75Å; V516-F519 HydrophobicContact CB-CE2 4.26Å; V516-F519 HydrophobicContact CG1-CD2 3.77Å; V516-F519 HydrophobicContact CG1-CE2 3.91Å; V516-F519 HydrophobicContact CG1-CG 4.48Å; V516-F519 HydrophobicContact CG2-CD2 4.38Å; V516-F519 PolarHBondContact O-N 3.02Å; K517-F519 PolarHBondContact O-N 3.33Å
520	A	94.3	Very high	94.7	Very high	27 Å²	27	42.8 Å²	42.8	22%	0.223	23%	0.229	C	C	.	.			trans	-77.5	121.3	173.8	0	0	0	0	0	109.2	Y485 F512 V516 K517 P522	Y485-A520 HydrophobicContact CE1-CB 4.35Å; F512-A520 CarbonylContact O-C 3.51Å; F512-A520 WeakPolarHBondContact O-CA 3.49Å; V516-A520 PolarHBondContact O-N 3.46Å; K517-A520 PolarHBondContact O-N 3.07Å; A520-P522 WeakPolarHBondContact O-CD 3.18Å
521	L	95.1	Very high	94.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	20%	0.204	C	C	.	.			trans	-116.6	94.7	-168.9	-67.2	176.1	0	0	0	110.8	I310 V386 Q390 G484 Y485 F512 G523	I310-L521 HydrophobicContact CD1-CD1 3.97Å; I310-L521 HydrophobicContact CG1-CD1 4.31Å; V386-L521 HydrophobicContact CB-CD1 4.09Å; V386-L521 HydrophobicContact CB-CD2 4.39Å; V386-L521 HydrophobicContact CG2-CD1 4.47Å; V386-L521 HydrophobicContact CG2-CD2 3.88Å; Q390-L521 HydrophobicContact CG-CD1 3.74Å; G484-L521 CarbonylContact C-O 3.57Å; G484-L521 WeakPolarHBondContact CA-O 3.44Å; Y485-L521 VanDerWaalsContact CD1-C 3.42Å; Y485-L521 WeakPolarHBondContact CD1-O 3.48Å; Y485-L521 WeakPolarHBondContact CE1-O 3.34Å; Y485-L521 PolarHBondContact N-O 2.97Å; F512-L521 HydrophobicContact CB-CB 4.05Å; F512-L521 HydrophobicContact CD1-CB 4.06Å; F512-L521 HydrophobicContact CD1-CD1 3.56Å; F512-L521 HydrophobicContact CD1-CG 4.37Å; F512-L521 HydrophobicContact CE1-CD1 3.86Å; F512-L521 HydrophobicContact CG-CB 4.29Å; F512-L521 PolarHBondContact O-N 3.4Å; L521-G523 PolarHBondContact O-N 2.69Å
522	P	93.4	Very high	94.9	Very high	52 Å²	52	33.6 Å²	33.6	34%	0.338	19%	0.19	S	C	.	.			trans	-63	-25.8	177.8	25.2	-33.1	0	0	0	112.1	G484 Y485 A486 A520	G484-P522 CarbonylContact C-O 3.54Å; Y485-P522 HydrophobicContact CE1-CB 4.15Å; Y485-P522 VanDerWaalsContact CE1-N 3.31Å; Y485-P522 HydrophobicContact CE2-CB 4.27Å; Y485-P522 PolarHBondContact N-O 3.26Å; A486-P522 WeakPolarHBondContact CA-O 3.38Å; A486-P522 HydrophobicContact CB-CB 4Å; A486-P522 WeakPolarHBondContact CB-O 3.34Å; A486-P522 PolarHBondContact N-O 3.03Å; A520-P522 WeakPolarHBondContact O-CD 3.18Å
523	G	92.8	Very high	94.9	Very high	9 Å²	9	39.4 Å²	39.4	9%	0.093	22%	0.217	C	C	.	.			trans	81.5	176	-172.9	0	0	0	0	0	111.4	F461 V482 L521	F461-G523 WeakPolarHBondContact CZ-O 3.35Å; V482-G523 WeakPolarHBondContact O-CA 3.44Å; L521-G523 PolarHBondContact O-N 2.69Å
524	S	92.9	Very high	95	Very high	5 Å²	5	40 Å²	40	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	-170.1	179.1	72.7	0	0	0	0	109	D432 P481 V482	D432-S524 PolarHBondContact OD1-OG 3.36Å; D432-S524 WeakPolarHBondContact OD2-CB 3.47Å; D432-S524 PolarHBondContact OD2-OG 2.96Å; P481-S524 CarbonylContact C-O 3.57Å; P481-S524 WeakPolarHBondContact CA-O 3.01Å; V482-S524 WeakPolarHBondContact CB-OG 3.18Å; V482-S524 VanDerWaalsContact CG2-OG 3.23Å; V482-S524 WeakPolarHBondContact CG2-OG 3.42Å; V482-S524 PolarHBondContact N-O 3.33Å; V482-S524 PolarHBondContact O-N 3.5Å
525	Y	94.5	Very high	95.1	Very high	23 Å²	23	39.7 Å²	39.7	9%	0.09	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.8	173.8	-62.1	-80.9	0	0	0	110	L417 Y419 F461 H463 P464 V479 P481 V487 H488	L417-Y525 HydrophobicContact CD1-CD1 4.48Å; L417-Y525 HydrophobicContact CD1-CE1 3.97Å; Y419-Y525 WeakPolarHBondContact OH-CD2 3.45Å; F461-Y525 HydrophobicContact CD1-CE2 4.25Å; F461-Y525 HydrophobicContact CE1-CD2 4.49Å; F461-Y525 HydrophobicContact CE1-CE2 4.23Å; H463-Y525 PolarHBondContact ND1-OH 3.03Å; H463-Y525 VanDerWaalsContact ND1-OH 3.15Å; P464-Y525 VanDerWaalsContact CD-CE2 3.43Å; P464-Y525 WeakPolarHBondContact CD-OH 3.14Å; P464-Y525 HydrophobicContact CG-CD1 3.73Å; P464-Y525 HydrophobicContact CG-CD2 4.44Å; P464-Y525 HydrophobicContact CG-CE1 3.43Å; P464-Y525 VanDerWaalsContact CG-CE1 3.43Å; P464-Y525 HydrophobicContact CG-CE2 4.19Å; P464-Y525 HydrophobicContact CG-CG 4.2Å; V479-Y525 HydrophobicContact CG2-CD1 4.24Å; P481-Y525 HydrophobicContact CB-CD1 4.21Å; P481-Y525 HydrophobicContact CB-CE1 4.13Å; V487-Y525 HydrophobicContact CB-CE1 4.21Å; V487-Y525 HydrophobicContact CG1-CE1 4.47Å; V487-Y525 HydrophobicContact CG1-CE2 4.18Å; H488-Y525 PolarHBondContact N-OH 3.44Å
526	R	95.2	Very high	95.4	Very high	11 Å²	11	41.1 Å²	41.1	4%	0.042	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	133.3	-179.1	178.6	177.8	-175.5	79.5	3	109.6	N287 W394 V479 L480 V482 L528 S599	N287-R526 VanDerWaalsContact CG-NH2 3.32Å; N287-R526 PolarHBondContact ND2-NH2 2.88Å; N287-R526 PolarHBondContact O-NE 3.13Å; N287-R526 PolarHBondContact O-NH2 2.94Å; N287-R526 PolarHBondContact OD1-NH2 2.97Å; W394-R526 HydrophobicContact CH2-CG 4.36Å; W394-R526 HydrophobicContact CZ2-CB 4.05Å; W394-R526 HydrophobicContact CZ2-CG 3.71Å; V479-R526 CarbonylContact C-O 3.55Å; V479-R526 VanDerWaalsContact CA-O 3.29Å; V479-R526 WeakPolarHBondContact CA-O 3.44Å; L480-R526 PolarHBondContact N-O 3.44Å; L480-R526 PolarHBondContact O-N 3.5Å; V482-R526 HydrophobicContact CG2-CB 3.93Å; R526-L528 PolarHBondContact O-N 2.85Å; R526-S599 PolarHBondContact NH1-O 3.21Å; R526-S599 PolarHBondContact NH2-O 3.07Å
527	K	96.3	Very high	95.5	Very high	100 Å²	100	44.3 Å²	44.3	44%	0.435	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	133.4	174.8	-70	-169.2	176.4	-174.2	0	110.2	N287 V479	N287-K527 VanDerWaalsContact CB-O 3.28Å; N287-K527 WeakPolarHBondContact CB-O 3.43Å; N287-K527 PolarHBondContact ND2-O 2.75Å; V479-K527 HydrophobicContact CG1-CG 4.22Å
528	L	97.6	Very high	95.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-67.3	-47.4	175.5	176	57.8	0	0	0	110.5	V286 N287 A398 R401 M402 L475 V478 L480 R526	V286-L528 HydrophobicContact CG1-CD1 4.27Å; N287-L528 PolarHBondContact N-O 3.39Å; A398-L528 HydrophobicContact CB-CD1 3.87Å; R401-L528 HydrophobicContact CG-CD2 4.08Å; M402-L528 HydrophobicContact CG-CD1 4.29Å; M402-L528 HydrophobicContact SD-CD1 4.38Å; M402-L528 HydrophobicContact SD-CD2 3.97Å; M402-L528 HydrophobicContact SD-CG 4.25Å; L475-L528 HydrophobicContact CD1-CD2 4.09Å; V478-L528 HydrophobicContact CB-CB 4.31Å; V478-L528 HydrophobicContact CB-CD2 4.4Å; V478-L528 HydrophobicContact CG1-CB 4.11Å; V478-L528 HydrophobicContact CG1-CD2 3.92Å; V478-L528 PolarHBondContact O-N 3.48Å; L480-L528 HydrophobicContact CD1-CD1 3.86Å; L480-L528 HydrophobicContact CG-CD1 4.47Å; R526-L528 PolarHBondContact O-N 2.85Å
529	I	97.5	Very high	96.1	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139	-179.3	-55.6	-51.8	0	0	0	110.2	V34 T283 F285 V286 M402 L475 N476	V34-I529 HydrophobicContact CG2-CD1 3.49Å; V34-I529 VanDerWaalsContact CG2-CD1 3.49Å; V34-I529 HydrophobicContact CG2-CG1 4.44Å; V34-I529 HydrophobicContact CG2-CG2 4.41Å; T283-I529 WeakPolarHBondContact O-CG2 3.4Å; F285-I529 WeakPolarHBondContact O-CA 3.31Å; V286-I529 HydrophobicContact CB-CD1 4.31Å; V286-I529 HydrophobicContact CG2-CD1 3.92Å; M402-I529 HydrophobicContact CE-CD1 4.33Å; M402-I529 HydrophobicContact SD-CD1 4.04Å; L475-I529 HydrophobicContact CD2-CG1 3.99Å; L475-I529 HydrophobicContact CG-CG1 3.8Å; N476-I529 HydrophobicContact CB-CB 4.44Å; N476-I529 HydrophobicContact CB-CG2 4.43Å
530	V	97.7	Very high	96.1	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.7	168.6	168.6	0	0	0	0	108.6	G284 F285 N287 L596 P597	G284-V530 CarbonylContact C-O 3.53Å; G284-V530 WeakPolarHBondContact CA-O 3.49Å; F285-V530 WeakPolarHBondContact CD1-O 3.43Å; F285-V530 HydrophobicContact CE1-CB 3.83Å; F285-V530 HydrophobicContact CE1-CG1 3.69Å; F285-V530 WeakPolarHBondContact CE1-O 3.43Å; F285-V530 HydrophobicContact CE2-CB 4.41Å; F285-V530 HydrophobicContact CZ-CB 3.76Å; F285-V530 HydrophobicContact CZ-CG1 3.76Å; F285-V530 PolarHBondContact N-O 3.37Å; F285-V530 PolarHBondContact O-N 3.28Å; N287-V530 HydrophobicContact CB-CB 4.38Å; N287-V530 HydrophobicContact CB-CG2 3.76Å; N287-V530 VanDerWaalsContact CG-CG2 3.42Å; V530-L596 HydrophobicContact CG1-CD2 4.2Å; V530-P597 HydrophobicContact CG1-CG 4Å
531	V	97.6	Very high	96	Very high	40 Å²	40	43.7 Å²	43.7	24%	0.242	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-99.3	123.5	173.7	-175.5	0	0	0	0	107.9	K281 N476	K281-V531 VanDerWaalsContact O-CG1 3.31Å; K281-V531 WeakPolarHBondContact O-CG1 3.35Å; N476-V531 HydrophobicContact CB-CG2 4.08Å
532	P	98	Very high	95.9	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.032	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69.5	141.9	178.7	31.6	-38	0	0	0	111.1	W280 V535 F594 L596	W280-P532 HydrophobicContact CD2-CG 3.84Å; W280-P532 HydrophobicContact CE3-CG 4.04Å; W280-P532 HydrophobicContact CH2-CB 3.92Å; W280-P532 HydrophobicContact CH2-CG 3.89Å; W280-P532 HydrophobicContact CZ2-CB 3.83Å; W280-P532 HydrophobicContact CZ2-CG 3.66Å; W280-P532 HydrophobicContact CZ3-CB 4.45Å; W280-P532 HydrophobicContact CZ3-CG 4.08Å; P532-V535 HydrophobicContact CB-CG2 3.72Å; P532-V535 HydrophobicContact CG-CG2 3.7Å; P532-F594 HydrophobicContact CB-CB 4.31Å; P532-L596 HydrophobicContact CB-CD2 3.92Å
533	E	97.2	Very high	95.7	Very high	123 Å²	123	45.4 Å²	45.4	58%	0.575	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	161.6	177.3	-68	179.4	-175.5	0	0	111.3	V535 N595	E533-V535 PolarHBondContact O-N 2.81Å; E533-N595 HydrophobicContact CB-CB 4.12Å; E533-N595 PolarHBondContact N-O 2.94Å; E533-N595 PolarHBondContact O-N 3.14Å
534	N	97	Very high	95.4	Very high	85 Å²	85	49 Å²	49	46%	0.455	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.4	32.7	176	-63.3	-34.4	0	0	0	114.6	Y62 K536 N595	Y62-N534 PolarHBondContact OH-ND2 3.27Å; N534-K536 PolarHBondContact O-N 3.14Å; N534-N595 PolarHBondContact ND2-ND2 3.39Å; N534-N595 VanDerWaalsContact ND2-ND2 3.11Å
535	V	98.2	Very high	95.1	Very high	14 Å²	14	52 Å²	52	9%	0.085	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	123.6	-179	-179.3	0	0	0	0	111	V277 W280 K281 P532 E533 T593 F594	V277-V535 HydrophobicContact CG1-CG1 3.92Å; W280-V535 HydrophobicContact CE3-CG1 4.21Å; W280-V535 HydrophobicContact CE3-CG2 4.46Å; W280-V535 HydrophobicContact CH2-CG2 4.46Å; W280-V535 HydrophobicContact CZ3-CG1 3.73Å; W280-V535 HydrophobicContact CZ3-CG2 3.95Å; K281-V535 HydrophobicContact CB-CB 4.35Å; K281-V535 HydrophobicContact CB-CG1 4.43Å; K281-V535 HydrophobicContact CB-CG2 4.3Å; K281-V535 HydrophobicContact CD-CB 4.07Å; K281-V535 HydrophobicContact CG-CB 4.03Å; K281-V535 HydrophobicContact CG-CG2 4.11Å; P532-V535 HydrophobicContact CB-CG2 3.72Å; P532-V535 HydrophobicContact CG-CG2 3.7Å; E533-V535 PolarHBondContact O-N 2.81Å; V535-T593 CarbonylContact C-O 3.39Å; V535-T593 VanDerWaalsContact CA-O 3.29Å; V535-T593 WeakPolarHBondContact CA-O 3.29Å; V535-F594 HydrophobicContact CG2-CB 4.01Å
536	K	97.9	Very high	94.7	Very high	144 Å²	144	52.9 Å²	52.9	63%	0.626	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	149.5	171.8	-57.9	-179.9	-177.8	-176	0	109.1	N534 T593	N534-K536 PolarHBondContact O-N 3.14Å; K536-T593 PolarHBondContact N-O 2.94Å; K536-T593 PolarHBondContact O-N 3.39Å
537	Y	97.1	Very high	94.4	Very high	87 Å²	87	54.7 Å²	54.7	34%	0.341	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	150.4	176.2	65.6	-82.6	0	0	0	111.5	E274 V277 F539 V591	E274-Y537 HydrophobicContact CG-CE2 3.93Å; V277-Y537 HydrophobicContact CB-CD1 4.43Å; V277-Y537 HydrophobicContact CG1-CD1 3.6Å; V277-Y537 HydrophobicContact CG1-CE1 4.02Å; V277-Y537 HydrophobicContact CG1-CG 4.24Å; Y537-F539 HydrophobicContact CD2-CE2 4.07Å; Y537-F539 HydrophobicContact CD2-CZ 4.37Å; Y537-F539 AromaticContact CE2-CE2 3.77Å; Y537-F539 HydrophobicContact CE2-CE2 3.77Å; Y537-F539 HydrophobicContact CE2-CZ 4.19Å; Y537-V591 CarbonylContact C-O 3.55Å; Y537-V591 WeakPolarHBondContact CA-O 3.49Å
538	E	96.9	Very high	94.2	Very high	116 Å²	116	52.2 Å²	52.2	54%	0.542	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	140.9	178.7	-63.7	173.8	-171.6	0	0	110.2	H540 V590 V591	E538-H540 IonicContact OE2-CE1 3.86Å; E538-H540 IonicContact OE2-NE2 2.94Å; E538-H540 PolarHBondContact OE2-NE2 3.33Å; E538-H540 VanDerWaalsContact OE2-NE2 3.11Å; E538-V590 WeakPolarHBondContact O-CA 3.46Å; E538-V591 HydrophobicContact CB-CB 4.46Å; E538-V591 PolarHBondContact N-O 3.41Å; E538-V591 PolarHBondContact O-N 3.2Å
539	F	96.4	Very high	93.9	Very high	33 Å²	33	52.7 Å²	52.7	15%	0.145	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	133.4	173.6	-65.1	-79.4	0	0	0	110.7	R270 I273 E274 Y537 V590	R270-F539 HydrophobicContact CB-CE1 4.34Å; R270-F539 HydrophobicContact CB-CE2 4.47Å; R270-F539 HydrophobicContact CB-CZ 3.98Å; R270-F539 HydrophobicContact CG-CD1 4.25Å; R270-F539 HydrophobicContact CG-CE1 3.88Å; R270-F539 HydrophobicContact CG-CE2 4.3Å; R270-F539 HydrophobicContact CG-CZ 3.9Å; I273-F539 HydrophobicContact CB-CE1 4.23Å; I273-F539 HydrophobicContact CB-CZ 4.28Å; I273-F539 HydrophobicContact CD1-CE1 3.78Å; I273-F539 HydrophobicContact CG2-CE1 3.97Å; I273-F539 HydrophobicContact CG2-CZ 4.07Å; E274-F539 HydrophobicContact CG-CE2 4.31Å; E274-F539 HydrophobicContact CG-CZ 4.16Å; Y537-F539 HydrophobicContact CD2-CE2 4.07Å; Y537-F539 HydrophobicContact CD2-CZ 4.37Å; Y537-F539 AromaticContact CE2-CE2 3.77Å; Y537-F539 HydrophobicContact CE2-CE2 3.77Å; Y537-F539 HydrophobicContact CE2-CZ 4.19Å; F539-V590 HydrophobicContact CD1-CG2 3.85Å; F539-V590 HydrophobicContact CE1-CG2 3.8Å
540	H	94	Very high	93.7	Very high	14 Å²	14	53.7 Å²	53.7	7%	0.065	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	143	178.9	-69.6	-98	0	0	0	110.1	E538 L549 L566 A589 V591	E538-H540 IonicContact OE2-CE1 3.86Å; E538-H540 IonicContact OE2-NE2 2.94Å; E538-H540 PolarHBondContact OE2-NE2 3.33Å; E538-H540 VanDerWaalsContact OE2-NE2 3.11Å; H540-L549 HydrophobicContact CB-CD1 4.28Å; H540-L566 WeakPolarHBondContact ND1-CD2 3.44Å; H540-A589 HydrophobicContact CB-CB 4.34Å; H540-A589 PolarHBondContact N-O 3.19Å; H540-A589 PolarHBondContact O-N 3.11Å; H540-V591 VanDerWaalsContact CD2-CG2 3.42Å; H540-V591 WeakPolarHBondContact CD2-CG2 3.34Å
541	E	93.2	Very high	93.4	Very high	46 Å²	46	57.1 Å²	57.1	22%	0.215	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	141.6	170.4	-73	176.5	-163.7	0	0	110	K586 K587	E541-K586 WeakPolarHBondContact OE2-CD 3.26Å; E541-K586 IonicContact OE2-NZ 3.73Å; E541-K586 PolarHBondContact OE2-NZ 3.33Å; E541-K587 CarbonylContact C-O 3.57Å; E541-K587 WeakPolarHBondContact CA-O 3.28Å
542	Y	92	Very high	93.3	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.027	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	141.5	177.2	70.8	-78.6	0	0	0	112	R264 S265 N544 L549 K587 A589	R264-Y542 WeakPolarHBondContact CB-OH 3.48Å; R264-Y542 HydrophobicContact CG-CE1 4.43Å; S265-Y542 PolarHBondContact N-OH 3.48Å; S265-Y542 PolarHBondContact OG-OH 3.24Å; Y542-N544 WeakPolarHBondContact CD2-O 3.47Å; Y542-L549 HydrophobicContact CD1-CD1 3.86Å; Y542-L549 HydrophobicContact CE1-CD1 4.42Å; Y542-L549 HydrophobicContact CG-CD1 4.24Å; Y542-K587 HydrophobicContact CD1-CB 4.17Å; Y542-K587 VanDerWaalsContact CD1-O 3.3Å; Y542-K587 WeakPolarHBondContact CD1-O 3.36Å; Y542-K587 HydrophobicContact CD2-CB 4.48Å; Y542-K587 HydrophobicContact CE1-CB 3.61Å; Y542-K587 HydrophobicContact CE2-CB 3.96Å; Y542-K587 HydrophobicContact CE2-CD 4.16Å; Y542-K587 VanDerWaalsContact CZ-CB 3.48Å; Y542-K587 PolarHBondContact N-O 3.15Å; Y542-K587 PolarHBondContact O-N 2.95Å; Y542-A589 HydrophobicContact CD1-CB 3.93Å; Y542-A589 HydrophobicContact CE1-CB 3.73Å
543	S	89.2	Confident	93.1	Very high	84 Å²	84	55.6 Å²	55.6	59%	0.587	29%	0.293	S	S	*	.	S	Bend	trans	-97.6	-36.3	173.8	-52.5	0	0	0	0	112.2
544	N	88.1	Confident	92.9	Very high	85 Å²	85	50.6 Å²	50.6	46%	0.455	27%	0.27	S	S	.	.			trans	-97.3	120.2	-179.8	173.8	-0.7	0	0	0	111.3	Y542 G546 I547	Y542-N544 WeakPolarHBondContact CD2-O 3.47Å; N544-G546 PolarHBondContact O-N 3.46Å; N544-G546 VanDerWaalsContact O-N 3.15Å; N544-G546 PolarHBondContact OD1-N 2.99Å; N544-I547 HydrophobicContact CB-CD1 3.67Å; N544-I547 HydrophobicContact CB-CG1 3.8Å; N544-I547 PolarHBondContact O-N 3.34Å
545	P	86.3	Confident	92.8	Very high	66 Å²	66	49.4 Å²	49.4	43%	0.429	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-17.7	-178.8	27.1	-35.4	0	0	0	114.7
546	G	86.5	Confident	92.6	Very high	42 Å²	42	53.6 Å²	53.6	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.9	177.4	0	0	0	0	0	115	R48 N544	R48-G546 PolarHBondContact NH1-O 3.36Å; R48-G546 VanDerWaalsContact NH1-O 3.14Å; N544-G546 PolarHBondContact O-N 3.46Å; N544-G546 VanDerWaalsContact O-N 3.15Å; N544-G546 PolarHBondContact OD1-N 2.99Å
547	I	88.8	Confident	92.3	Very high	49 Å²	49	49.4 Å²	49.4	25%	0.251	27%	0.267	S	S	.	.	S	Bend	trans	-72.8	132.5	-175.6	-69.7	177.1	0	0	0	111.1	R48 R264 N544 L549 V565	R48-I547 VanDerWaalsContact NH1-C 3.25Å; R48-I547 PolarHBondContact NH1-O 3.39Å; R264-I547 PolarHBondContact NH1-O 3.19Å; R264-I547 PolarHBondContact NH2-O 3.44Å; N544-I547 HydrophobicContact CB-CD1 3.67Å; N544-I547 HydrophobicContact CB-CG1 3.8Å; N544-I547 PolarHBondContact O-N 3.34Å; I547-L549 HydrophobicContact CG2-CD2 4.38Å; I547-V565 HydrophobicContact CD1-CG1 4.4Å
548	P	90.4	Very high	92	Very high	49 Å²	49	50.3 Å²	50.3	32%	0.318	28%	0.277	S	S	.	.			trans	-68.1	129.4	172	27	-32.2	0	0	0	111.5
549	L	92.4	Very high	91.3	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.047	28%	0.279	C	S	.	.			trans	-103.7	-6.3	176.2	-59.1	-177.1	0	0	0	112.7	V262 H540 Y542 I547 L566 A589	V262-L549 HydrophobicContact CG1-CB 4.14Å; V262-L549 HydrophobicContact CG1-CD1 3.85Å; V262-L549 HydrophobicContact CG1-CG 4.49Å; V262-L549 HydrophobicContact CG2-CB 4.48Å; H540-L549 HydrophobicContact CB-CD1 4.28Å; Y542-L549 HydrophobicContact CD1-CD1 3.86Å; Y542-L549 HydrophobicContact CE1-CD1 4.42Å; Y542-L549 HydrophobicContact CG-CD1 4.24Å; I547-L549 HydrophobicContact CG2-CD2 4.38Å; L549-L566 HydrophobicContact CD2-CD2 4.25Å; L549-A589 HydrophobicContact CD1-CB 3.47Å; L549-A589 VanDerWaalsContact CD1-CB 3.47Å
550	V	93.5	Very high	90.1	Very high	24 Å²	24	48.6 Å²	48.6	15%	0.145	29%	0.289	C	S	.	.	S	Bend	trans	-134.6	152.2	176.7	-68.8	0	0	0	0	109.6	I53 V260 V262 V591	I53-V550 HydrophobicContact CD1-CB 4.16Å; I53-V550 HydrophobicContact CD1-CG2 3.83Å; I53-V550 HydrophobicContact CG1-CG2 4.41Å; V260-V550 HydrophobicContact CG1-CG1 3.91Å; V262-V550 HydrophobicContact CG2-CB 4.29Å; V262-V550 HydrophobicContact CG2-CG1 3.59Å; V262-V550 HydrophobicContact CG2-CG2 3.72Å; V550-V591 HydrophobicContact CG1-CB 4.41Å; V550-V591 HydrophobicContact CG1-CG1 3.53Å; V550-V591 HydrophobicContact CG1-CG2 3.93Å
551	K	92	Very high	88.2	Confident	78 Å²	78	54.4 Å²	54.4	34%	0.339	32%	0.319	S	S	.	.			trans	-101.6	136.1	175.7	-61.9	-173.6	-177.2	-170.7	0	110.9	I53 Q555 I556 T560 T562	I53-K551 WeakPolarHBondContact CD1-O 3.29Å; K551-Q555 HydrophobicContact CB-CB 4.45Å; K551-I556 HydrophobicContact CB-CD1 4.17Å; K551-I556 HydrophobicContact CB-CG1 3.79Å; K551-I556 HydrophobicContact CD-CG1 4.27Å; K551-T560 PolarHBondContact NZ-O 3.17Å; K551-T560 VanDerWaalsContact NZ-O 3.12Å; K551-T562 WeakPolarHBondContact CE-OG1 3.47Å; K551-T562 PolarHBondContact NZ-OG1 3.41Å
552	S	93.9	Very high	86.2	Confident	3 Å²	3	54 Å²	54	2%	0.021	32%	0.32	C	S	.	.			trans	-77.1	159.6	168.5	80.7	0	0	0	0	111.6	Y177 L554 Q555 I556	Y177-S552 PolarHBondContact OH-OG 3.12Å; S552-L554 PolarHBondContact O-N 3Å; S552-Q555 WeakPolarHBondContact O-CB 3.43Å; S552-Q555 PolarHBondContact O-N 3.43Å; S552-Q555 WeakPolarHBondContact OG-CG 3.36Å; S552-Q555 PolarHBondContact OG-N 3.39Å; S552-I556 WeakPolarHBondContact O-CG1 3.44Å; S552-I556 PolarHBondContact O-N 2.76Å
553	D	94.4	Very high	83.6	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.053	35%	0.351	C	S	.	.	H	α-helix	trans	-56.1	-38.7	176.7	-69.7	12	0	0	0	111.5	R55 R64 L65 T214 I556 L557	R55-D553 IonicContact CZ-OD1 3.75Å; R55-D553 IonicContact NE-OD1 3.89Å; R55-D553 PolarHBondContact NE-OD1 3.26Å; R55-D553 IonicContact NE-OD2 3.69Å; R55-D553 PolarHBondContact NE-OD2 3.16Å; R55-D553 IonicContact NH2-OD1 3.82Å; R55-D553 PolarHBondContact NH2-OD1 3.22Å; R64-D553 VanDerWaalsContact CA-OD2 3.32Å; R64-D553 WeakPolarHBondContact CA-OD2 3.24Å; L65-D553 HydrophobicContact CB-CB 3.94Å; L65-D553 PolarHBondContact N-OD2 3.02Å; T214-D553 HydrophobicContact CG2-CB 4.46Å; D553-I556 PolarHBondContact O-N 3.39Å; D553-L557 VanDerWaalsContact O-CB 3.25Å; D553-L557 WeakPolarHBondContact O-CB 3.19Å; D553-L557 PolarHBondContact O-N 3.38Å
554	L	93.8	Very high	81.2	Confident	17 Å²	17	63.3 Å²	63.3	9%	0.089	36%	0.363	C	S	.	.	H	α-helix	trans	-66.1	-38.9	176.7	-175.8	57.3	0	0	0	112.8	Y177 R238 S552 L557 N558	Y177-L554 HydrophobicContact CD1-CD2 4.4Å; Y177-L554 HydrophobicContact CD2-CB 4.24Å; Y177-L554 HydrophobicContact CE1-CB 4.22Å; Y177-L554 HydrophobicContact CE1-CD2 3.92Å; Y177-L554 HydrophobicContact CE2-CB 3.79Å; R238-L554 HydrophobicContact CG-CD1 3.79Å; R238-L554 HydrophobicContact CG-CD2 3.81Å; R238-L554 HydrophobicContact CG-CG 4.41Å; S552-L554 PolarHBondContact O-N 3Å; L554-L557 PolarHBondContact O-N 3.17Å; L554-N558 WeakPolarHBondContact O-CB 3.49Å; L554-N558 VanDerWaalsContact O-CG 3.24Å; L554-N558 PolarHBondContact O-N 3.33Å; L554-N558 PolarHBondContact O-ND2 3.01Å
555	Q	93.3	Very high	79	Confident	60 Å²	60	63.5 Å²	63.5	28%	0.28	37%	0.367	S	S	.	.	H	α-helix	trans	-66.7	-39.9	175.7	-72.4	172.4	-36.4	0	0	111.7	K551 S552 G559 T560	K551-Q555 HydrophobicContact CB-CB 4.45Å; S552-Q555 WeakPolarHBondContact O-CB 3.43Å; S552-Q555 PolarHBondContact O-N 3.43Å; S552-Q555 WeakPolarHBondContact OG-CG 3.36Å; S552-Q555 PolarHBondContact OG-N 3.39Å; Q555-G559 PolarHBondContact O-N 2.95Å; Q555-T560 WeakPolarHBondContact O-CB 3.24Å; Q555-T560 PolarHBondContact O-N 3.2Å; Q555-T560 PolarHBondContact O-OG1 2.85Å
556	I	94	Very high	77	Confident	102 Å²	102	63.5 Å²	63.5	52%	0.523	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-48.1	174.9	-64.9	166.6	0	0	0	109.7	K551 S552 D553 N558 G559	K551-I556 HydrophobicContact CB-CD1 4.17Å; K551-I556 HydrophobicContact CB-CG1 3.79Å; K551-I556 HydrophobicContact CD-CG1 4.27Å; S552-I556 WeakPolarHBondContact O-CG1 3.44Å; S552-I556 PolarHBondContact O-N 2.76Å; D553-I556 PolarHBondContact O-N 3.39Å; I556-N558 PolarHBondContact O-N 2.97Å; I556-G559 PolarHBondContact O-N 3.26Å
557	L	92.9	Very high	74.7	Confident	56 Å²	56	65.1 Å²	65.1	29%	0.293	37%	0.365	S	S	.	.	H	α-helix	trans	-61.9	-39.9	-179.5	-175.1	56.9	0	0	0	113.1	L65 T66 L68 D553 L554 G559	L65-L557 HydrophobicContact CD2-CD2 4.4Å; L65-L557 HydrophobicContact CG-CD2 4.23Å; T66-L557 WeakPolarHBondContact O-CD1 3.26Å; L68-L557 HydrophobicContact CD1-CD2 4.16Å; L68-L557 HydrophobicContact CD2-CD2 3.83Å; L68-L557 HydrophobicContact CG-CD2 3.71Å; D553-L557 VanDerWaalsContact O-CB 3.25Å; D553-L557 WeakPolarHBondContact O-CB 3.19Å; D553-L557 PolarHBondContact O-N 3.38Å; L554-L557 PolarHBondContact O-N 3.17Å; L557-G559 PolarHBondContact O-N 3.43Å
558	N	90.3	Very high	72.4	Confident	106 Å²	106	67.1 Å²	67.1	57%	0.567	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	3.1	176.5	-68.6	-19	0	0	0	113.3	L554 I556 T560	L554-N558 WeakPolarHBondContact O-CB 3.49Å; L554-N558 VanDerWaalsContact O-CG 3.24Å; L554-N558 PolarHBondContact O-N 3.33Å; L554-N558 PolarHBondContact O-ND2 3.01Å; I556-N558 PolarHBondContact O-N 2.97Å; N558-T560 PolarHBondContact O-N 2.7Å
559	G	82.9	Confident	69.9	Low	55 Å²	55	66 Å²	66	57%	0.567	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	28.5	-177.8	0	0	0	0	0	113.4	Q555 I556 L557 I561	Q555-G559 PolarHBondContact O-N 2.95Å; I556-G559 PolarHBondContact O-N 3.26Å; L557-G559 PolarHBondContact O-N 3.43Å; G559-I561 PolarHBondContact O-N 2.96Å
560	T	71.3	Confident	67	Low	59 Å²	59	69.6 Å²	69.6	36%	0.362	40%	0.404	S	S	.	.			trans	-63.9	108.8	-177.6	-54	0	0	0	0	109.8	K551 Q555 N558 T562	K551-T560 PolarHBondContact NZ-O 3.17Å; K551-T560 VanDerWaalsContact NZ-O 3.12Å; Q555-T560 WeakPolarHBondContact O-CB 3.24Å; Q555-T560 PolarHBondContact O-N 3.2Å; Q555-T560 PolarHBondContact O-OG1 2.85Å; N558-T560 PolarHBondContact O-N 2.7Å; T560-T562 PolarHBondContact O-N 2.59Å; T560-T562 VanDerWaalsContact O-N 3.13Å
561	I	52.6	Low	63.9	Low	136 Å²	136	77.6 Å²	77.6	70%	0.697	44%	0.44	S	S	*	.			trans	-73.3	99	168.9	-55.3	173.9	0	0	0	106.4	G559 N563	G559-I561 PolarHBondContact O-N 2.96Å; I561-N563 PolarHBondContact O-N 2.54Å; I561-N563 VanDerWaalsContact O-N 3.13Å
562	T	51	Low	60.8	Low	37 Å²	37	79.5 Å²	79.5	23%	0.227	45%	0.454	C	S	.	.			trans	-69.8	105.5	159.6	47.6	0	0	0	0	106.1	K551 T560 N564	K551-T562 WeakPolarHBondContact CE-OG1 3.47Å; K551-T562 PolarHBondContact NZ-OG1 3.41Å; T560-T562 PolarHBondContact O-N 2.59Å; T560-T562 VanDerWaalsContact O-N 3.13Å; T562-N564 PolarHBondContact O-N 3.14Å
563	N	38.6	Very low	57.7	Low	128 Å²	128	88.8 Å²	88.8	68%	0.684	50%	0.497	S	S	*	.			trans	-45.1	140.9	172.5	-71	-19.8	0	0	0	110.2	I561 V565	I561-N563 PolarHBondContact O-N 2.54Å; I561-N563 VanDerWaalsContact O-N 3.13Å; N563-V565 PolarHBondContact O-N 3.18Å
564	N	38.7	Very low	54.5	Low	159 Å²	159	94.2 Å²	94.2	85%	0.85	53%	0.531	S	S	*	.	S	Bend	trans	-52.5	48.4	-173.7	-68.9	-19.8	0	0	0	117.1	T562 L566	T562-N564 PolarHBondContact O-N 3.14Å; N564-L566 VanDerWaalsContact C-N 3.27Å
565	V	41.5	Very low	51.4	Low	89 Å²	89	102.3 Å²	102.3	54%	0.539	57%	0.568	S	S	.	*			trans	-84.6	-9.2	166.9	-170.4	0	0	0	0	110.8	I547 N563 T567	I547-V565 HydrophobicContact CD1-CG1 4.4Å; N563-V565 PolarHBondContact O-N 3.18Å; V565-T567 VanDerWaalsContact C-N 3.26Å; V565-T567 PolarHBondContact O-N 2.92Å
566	L	43.6	Very low	48.6	Very low	65 Å²	65	106.3 Å²	106.3	34%	0.34	59%	0.592	S	S	.	*			trans	-78.3	74.4	169.4	-63.5	158.5	0	0	0	108.9	H540 L549 N564 S568	H540-L566 WeakPolarHBondContact ND1-CD2 3.44Å; L549-L566 HydrophobicContact CD2-CD2 4.25Å; N564-L566 VanDerWaalsContact C-N 3.27Å; L566-S568 PolarHBondContact O-N 3.34Å
567	T	38.6	Very low	45.8	Very low	76 Å²	76	108.4 Å²	108.4	47%	0.466	60%	0.604	S	S	.	*			trans	-69.6	93.2	158.8	49.4	0	0	0	0	106.3	V565 A569	V565-T567 VanDerWaalsContact C-N 3.26Å; V565-T567 PolarHBondContact O-N 2.92Å; T567-A569 PolarHBondContact O-N 3.25Å
568	S	40.5	Very low	43.1	Very low	91 Å²	91	112 Å²	112	64%	0.636	62%	0.623	S	S	*	*	B	Isolated β-bridge	trans	-51.3	113.5	156.2	46.1	0	0	0	0	105.4	L566 S570	L566-S568 PolarHBondContact O-N 3.34Å; S568-S570 PolarHBondContact O-N 3.4Å
569	A	38.9	Very low	40.5	Very low	26 Å²	26	113.7 Å²	113.7	22%	0.215	63%	0.631	C	S	.	*			trans	-54.6	110.7	-176	0	0	0	0	0	108.1	T567 Q571	T567-A569 PolarHBondContact O-N 3.25Å; A569-Q571 PolarHBondContact O-N 3.41Å
570	S	29.9	Very low	38.4	Very low	85 Å²	85	114 Å²	114	59%	0.594	62%	0.624	S	S	*	*			trans	-50.3	137.8	179.9	22.4	0	0	0	0	108.8	S568 N572	S568-S570 PolarHBondContact O-N 3.4Å; S570-N572 PolarHBondContact O-N 3.15Å
571	Q	30.2	Very low	36.7	Very low	192 Å²	192	118.5 Å²	118.5	90%	0.897	65%	0.645	S	S	*	*			trans	-65.3	44.9	177.5	-64.9	-179.7	-22.8	0	0	112.4	A569 E573	A569-Q571 PolarHBondContact O-N 3.41Å; Q571-E573 PolarHBondContact O-N 3.1Å
572	N	26	Very low	36	Very low	118 Å²	118	117.7 Å²	117.7	63%	0.631	64%	0.642	S	S	*	*			trans	-85	108.1	173	-72.4	-6.9	0	0	0	107	S570 T574	S570-N572 PolarHBondContact O-N 3.15Å; N572-T574 VanDerWaalsContact C-N 3.27Å; N572-T574 PolarHBondContact O-N 3.11Å; N572-T574 PolarHBondContact O-OG1 3.03Å
573	E	28.4	Very low	35.8	Very low	197 Å²	197	125.7 Å²	125.7	92%	0.921	67%	0.673	S	S	*	*			trans	-46.4	93	163.3	-64.8	-179.2	161.5	0	0	109.1	Q571	Q571-E573 PolarHBondContact O-N 3.1Å
574	T	26.9	Very low	36.3	Very low	125 Å²	125	127.7 Å²	127.7	77%	0.767	68%	0.684	S	S	*	*			trans	-130.6	112.9	171.8	-4.2	0	0	0	0	107.1	N572	N572-T574 VanDerWaalsContact C-N 3.27Å; N572-T574 PolarHBondContact O-N 3.11Å; N572-T574 PolarHBondContact O-OG1 3.03Å
575	Q	29.4	Very low	37.6	Very low	187 Å²	187	125 Å²	125	87%	0.874	67%	0.667	S	S	*	*			trans	-23.5	132.3	-179	-63.4	176.2	-5.4	0	0	116	N577	Q575-N577 PolarHBondContact O-N 3.34Å
576	N	34.9	Very low	39.6	Very low	144 Å²	144	126.8 Å²	126.8	77%	0.77	67%	0.667	S	S	*	*	S	Bend	trans	-32.5	102.5	162.9	-71.8	-31.7	0	0	0	112.2
577	N	35.5	Very low	41.8	Very low	145 Å²	145	128.1 Å²	128.1	78%	0.775	67%	0.67	S	S	*	*			trans	176.8	71.5	153.9	-88.2	-18.8	0	0	0	110.1	Q575	Q575-N577 PolarHBondContact O-N 3.34Å
578	D	34.9	Very low	44.5	Very low	132 Å²	132	125.8 Å²	125.8	71%	0.706	65%	0.654	S	S	*	*			trans	-119	86.4	164.1	-78.8	-22.6	0	0	0	108.9
579	I	35.6	Very low	47	Very low	142 Å²	142	121.5 Å²	121.5	73%	0.728	62%	0.624	S	S	*	*			trans	-94.8	112.3	162.9	-63.1	172.3	0	0	0	105.3	L581	I579-L581 PolarHBondContact O-N 2.93Å
580	C	38.6	Very low	49.8	Very low	62 Å²	62	120.3 Å²	120.3	42%	0.419	61%	0.614	S	S	.	*			trans	-69.4	107.9	-177.8	-59.1	0	0	0	0	111.4
581	L	36.5	Very low	53	Low	153 Å²	153	116.5 Å²	116.5	80%	0.801	59%	0.587	S	S	*	*			trans	-148.1	69.9	168.5	-71.9	177.9	0	0	0	111.5	I579	I579-L581 PolarHBondContact O-N 2.93Å
582	D	37.7	Very low	56.2	Low	119 Å²	119	107.4 Å²	107.4	64%	0.636	54%	0.544	S	S	*	.			trans	-153.1	151.1	150.1	-123.5	-24	0	0	0	115.5	D584 E585	D582-D584 PolarHBondContact O-N 3.02Å; D582-E585 HydrophobicContact CB-CG 3.96Å; D582-E585 WeakPolarHBondContact CB-OE1 3.36Å; D582-E585 PolarHBondContact N-OE2 2.78Å; D582-E585 WeakPolarHBondContact O-CB 3.4Å; D582-E585 WeakPolarHBondContact O-CG 3.35Å
583	K	46.5	Very low	59.6	Low	204 Å²	204	103.3 Å²	103.3	89%	0.887	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	0.8	-158.3	-82.1	-179.2	177.2	174.8	0	117.6
584	D	49.1	Very low	63	Low	171 Å²	171	93.9 Å²	93.9	91%	0.914	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.3	17.5	178	-78.4	-43.9	0	0	0	113.8	D582	D582-D584 PolarHBondContact O-N 3.02Å
585	E	67.1	Low	66.4	Low	103 Å²	103	88.1 Å²	88.1	48%	0.481	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-98.6	149.6	-157.7	-67.3	-173.9	146.1	0	0	117.6	D582 K587	D582-E585 HydrophobicContact CB-CG 3.96Å; D582-E585 WeakPolarHBondContact CB-OE1 3.36Å; D582-E585 PolarHBondContact N-OE2 2.78Å; D582-E585 WeakPolarHBondContact O-CB 3.4Å; D582-E585 WeakPolarHBondContact O-CG 3.35Å; E585-K587 PolarHBondContact O-N 2.75Å
586	K	82.9	Confident	69.6	Low	126 Å²	126	79.2 Å²	79.2	55%	0.548	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-49.3	129.5	170.1	-66.1	173.8	163.5	-164.1	0	111	E541	E541-K586 WeakPolarHBondContact OE2-CD 3.26Å; E541-K586 IonicContact OE2-NZ 3.73Å; E541-K586 PolarHBondContact OE2-NZ 3.33Å
587	K	90.8	Very high	72.5	Confident	93 Å²	93	74.9 Å²	74.9	40%	0.404	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	149	175.6	-64.3	-178.2	-179.6	-177.3	0	110.6	E541 Y542 E585	E541-K587 CarbonylContact C-O 3.57Å; E541-K587 WeakPolarHBondContact CA-O 3.28Å; Y542-K587 HydrophobicContact CD1-CB 4.17Å; Y542-K587 VanDerWaalsContact CD1-O 3.3Å; Y542-K587 WeakPolarHBondContact CD1-O 3.36Å; Y542-K587 HydrophobicContact CD2-CB 4.48Å; Y542-K587 HydrophobicContact CE1-CB 3.61Å; Y542-K587 HydrophobicContact CE2-CB 3.96Å; Y542-K587 HydrophobicContact CE2-CD 4.16Å; Y542-K587 VanDerWaalsContact CZ-CB 3.48Å; Y542-K587 PolarHBondContact N-O 3.15Å; Y542-K587 PolarHBondContact O-N 2.95Å; E585-K587 PolarHBondContact O-N 2.75Å
588	Q	93.4	Very high	75.2	Confident	27 Å²	27	70.1 Å²	70.1	13%	0.126	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	143.6	173.3	-64.6	-174.1	-17.7	0	0	111.2	S265 V266	S265-Q588 PolarHBondContact N-O 3.2Å; S265-Q588 VanDerWaalsContact N-O 3.15Å; V266-Q588 HydrophobicContact CB-CB 4.49Å; V266-Q588 PolarHBondContact N-O 3Å
589	A	94.9	Very high	77.7	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	151.6	169.3	0	0	0	0	0	110.4	V262 L263 H540 Y542 L549	V262-A589 HydrophobicContact CG1-CB 4.19Å; L263-A589 CarbonylContact O-C 3.54Å; L263-A589 WeakPolarHBondContact O-CA 3.47Å; L263-A589 WeakPolarHBondContact O-CB 3.43Å; H540-A589 HydrophobicContact CB-CB 4.34Å; H540-A589 PolarHBondContact N-O 3.19Å; H540-A589 PolarHBondContact O-N 3.11Å; Y542-A589 HydrophobicContact CD1-CB 3.93Å; Y542-A589 HydrophobicContact CE1-CB 3.73Å; L549-A589 HydrophobicContact CD1-CB 3.47Å; L549-A589 VanDerWaalsContact CD1-CB 3.47Å
590	V	96.2	Very high	80.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.9	172.3	178.8	0	0	0	0	108	L263 V266 I273 E538 F539 L592	L263-V590 HydrophobicContact CB-CB 4.43Å; L263-V590 PolarHBondContact N-O 2.9Å; L263-V590 PolarHBondContact O-N 3.03Å; V266-V590 HydrophobicContact CG1-CG2 4.35Å; V266-V590 HydrophobicContact CG2-CB 4.41Å; V266-V590 HydrophobicContact CG2-CG2 4.02Å; I273-V590 HydrophobicContact CD1-CG2 4.11Å; I273-V590 HydrophobicContact CG2-CG1 4.41Å; I273-V590 HydrophobicContact CG2-CG2 3.97Å; E538-V590 WeakPolarHBondContact O-CA 3.46Å; F539-V590 HydrophobicContact CD1-CG2 3.85Å; F539-V590 HydrophobicContact CE1-CG2 3.8Å; V590-L592 HydrophobicContact CG1-CD2 3.77Å; V590-L592 HydrophobicContact CG1-CG 4.08Å
591	V	97.2	Very high	83.2	Confident	6 Å²	6	58.1 Å²	58.1	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.2	171.8	179	0	0	0	0	107.8	V260 V261 V262 Y537 E538 H540 V550	V260-V591 HydrophobicContact CG1-CG1 3.78Å; V261-V591 WeakPolarHBondContact O-CA 3.32Å; V262-V591 HydrophobicContact CG1-CG2 4.26Å; V262-V591 HydrophobicContact CG2-CG2 4.18Å; Y537-V591 CarbonylContact C-O 3.55Å; Y537-V591 WeakPolarHBondContact CA-O 3.49Å; E538-V591 HydrophobicContact CB-CB 4.46Å; E538-V591 PolarHBondContact N-O 3.41Å; E538-V591 PolarHBondContact O-N 3.2Å; H540-V591 VanDerWaalsContact CD2-CG2 3.42Å; H540-V591 WeakPolarHBondContact CD2-CG2 3.34Å; V550-V591 HydrophobicContact CG1-CB 4.41Å; V550-V591 HydrophobicContact CG1-CG1 3.53Å; V550-V591 HydrophobicContact CG1-CG2 3.93Å
592	L	97.6	Very high	85.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.6	177.1	-63.8	176.4	0	0	0	110	V260 V261 L263 V277 V590 F594 L609	V260-L592 CarbonylContact C-O 3.59Å; V260-L592 VanDerWaalsContact CA-O 3.27Å; V260-L592 WeakPolarHBondContact CA-O 3.31Å; V261-L592 PolarHBondContact N-O 3.14Å; V261-L592 PolarHBondContact O-N 2.84Å; L263-L592 HydrophobicContact CD1-CD1 3.61Å; L263-L592 HydrophobicContact CD1-CG 4.36Å; L263-L592 HydrophobicContact CG-CD1 4.2Å; V277-L592 HydrophobicContact CG2-CD2 4.08Å; V590-L592 HydrophobicContact CG1-CD2 3.77Å; V590-L592 HydrophobicContact CG1-CG 4.08Å; L592-F594 HydrophobicContact CB-CD1 4.02Å; L592-F594 HydrophobicContact CB-CE1 4Å; L592-L609 HydrophobicContact CD1-CD1 3.57Å
593	T	98.3	Very high	88.6	Confident	32 Å²	32	46.5 Å²	46.5	20%	0.196	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.7	167.8	-60	0	0	0	0	109.6	Q258 F259 V260 V535 K536	Q258-T593 HydrophobicContact CG-CG2 4.22Å; F259-T593 CarbonylContact O-C 3.55Å; F259-T593 VanDerWaalsContact O-CA 3.25Å; F259-T593 WeakPolarHBondContact O-CA 3.5Å; V260-T593 HydrophobicContact CG2-CG2 4.09Å; V535-T593 CarbonylContact C-O 3.39Å; V535-T593 VanDerWaalsContact CA-O 3.29Å; V535-T593 WeakPolarHBondContact CA-O 3.29Å; K536-T593 PolarHBondContact N-O 2.94Å; K536-T593 PolarHBondContact O-N 3.39Å
594	F	98.4	Very high	90.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	156.6	-179.1	56	-86.7	0	0	0	111.4	Q258 F259 V261 W280 P532 V535 L592 L596 A602 A605 I606	Q258-F594 CarbonylContact C-O 3.57Å; Q258-F594 WeakPolarHBondContact CA-O 3.34Å; F259-F594 HydrophobicContact CB-CD1 4.49Å; F259-F594 HydrophobicContact CB-CD2 4.26Å; F259-F594 HydrophobicContact CB-CE1 4.06Å; F259-F594 HydrophobicContact CB-CE2 3.8Å; F259-F594 HydrophobicContact CB-CZ 3.7Å; F259-F594 HydrophobicContact CD2-CD2 4.2Å; F259-F594 AromaticContact CD2-CE2 3.77Å; F259-F594 HydrophobicContact CD2-CE2 3.77Å; F259-F594 HydrophobicContact CD2-CZ 4.44Å; F259-F594 AromaticContact CG-CE2 3.99Å; F259-F594 HydrophobicContact CG-CE2 3.99Å; F259-F594 HydrophobicContact CG-CZ 4.21Å; F259-F594 PolarHBondContact N-O 3.06Å; F259-F594 PolarHBondContact O-N 3.46Å; V261-F594 HydrophobicContact CG2-CE1 4.18Å; V261-F594 HydrophobicContact CG2-CZ 4.28Å; W280-F594 HydrophobicContact CH2-CB 4Å; W280-F594 AromaticContact CH2-CD1 3.73Å; W280-F594 HydrophobicContact CH2-CD1 3.73Å; W280-F594 AromaticContact CH2-CD2 3.95Å; W280-F594 HydrophobicContact CH2-CD2 3.95Å; W280-F594 HydrophobicContact CH2-CE1 4.14Å; W280-F594 HydrophobicContact CH2-CE2 4.35Å; W280-F594 AromaticContact CH2-CG 3.62Å; W280-F594 HydrophobicContact CH2-CG 3.62Å; W280-F594 HydrophobicContact CH2-CZ 4.43Å; W280-F594 HydrophobicContact CZ2-CD2 4.35Å; W280-F594 HydrophobicContact CZ2-CG 4.45Å; W280-F594 HydrophobicContact CZ3-CD1 4.47Å; W280-F594 HydrophobicContact CZ3-CG 4.5Å; P532-F594 HydrophobicContact CB-CB 4.31Å; V535-F594 HydrophobicContact CG2-CB 4.01Å; L592-F594 HydrophobicContact CB-CD1 4.02Å; L592-F594 HydrophobicContact CB-CE1 4Å; F594-L596 HydrophobicContact CD2-CD1 4.33Å; F594-L596 HydrophobicContact CD2-CD2 4.02Å; F594-L596 HydrophobicContact CD2-CG 3.83Å; F594-L596 HydrophobicContact CE2-CD1 3.82Å; F594-L596 HydrophobicContact CE2-CD2 4.28Å; F594-L596 HydrophobicContact CE2-CG 3.84Å; F594-A602 HydrophobicContact CE2-CB 4.24Å; F594-A602 HydrophobicContact CZ-CB 4.18Å; F594-A605 HydrophobicContact CE2-CB 4.44Å; F594-I606 HydrophobicContact CZ-CG1 4.39Å
595	N	98.3	Very high	93.1	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137	174.8	-69.5	15.5	0	0	0	109.9	F57 Y62 N257 Q258 E533 N534	F57-N595 HydrophobicContact CE1-CB 4.01Å; F57-N595 HydrophobicContact CZ-CB 4.42Å; Y62-N595 PolarHBondContact OH-ND2 3.25Å; N257-N595 WeakPolarHBondContact O-CA 3.46Å; Q258-N595 WeakPolarHBondContact CB-OD1 3.48Å; Q258-N595 WeakPolarHBondContact CG-OD1 3.48Å; Q258-N595 PolarHBondContact NE2-OD1 3.04Å; E533-N595 HydrophobicContact CB-CB 4.12Å; E533-N595 PolarHBondContact N-O 2.94Å; E533-N595 PolarHBondContact O-N 3.14Å; N534-N595 PolarHBondContact ND2-ND2 3.39Å; N534-N595 VanDerWaalsContact ND2-ND2 3.11Å
596	L	97.8	Very high	94.5	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	144.3	166.3	-57	178.8	0	0	0	109.9	G256 N257 F259 F285 V530 P532 F594 A602 A605	G256-L596 CarbonylContact C-O 3.52Å; G256-L596 VanDerWaalsContact CA-O 3.24Å; G256-L596 WeakPolarHBondContact CA-O 3.49Å; N257-L596 PolarHBondContact N-O 3.3Å; N257-L596 PolarHBondContact O-N 3.43Å; F259-L596 HydrophobicContact CD2-CB 4.45Å; F259-L596 HydrophobicContact CD2-CD1 4.17Å; F259-L596 HydrophobicContact CD2-CG 4.13Å; F259-L596 HydrophobicContact CE2-CB 3.98Å; F259-L596 HydrophobicContact CE2-CD1 3.86Å; F259-L596 HydrophobicContact CE2-CG 4.02Å; F285-L596 HydrophobicContact CE1-CD2 3.65Å; F285-L596 HydrophobicContact CZ-CD1 4.18Å; F285-L596 HydrophobicContact CZ-CD2 3.91Å; V530-L596 HydrophobicContact CG1-CD2 4.2Å; P532-L596 HydrophobicContact CB-CD2 3.92Å; F594-L596 HydrophobicContact CD2-CD1 4.33Å; F594-L596 HydrophobicContact CD2-CD2 4.02Å; F594-L596 HydrophobicContact CD2-CG 3.83Å; F594-L596 HydrophobicContact CE2-CD1 3.82Å; F594-L596 HydrophobicContact CE2-CD2 4.28Å; F594-L596 HydrophobicContact CE2-CG 3.84Å; L596-A602 HydrophobicContact CD1-CB 4.24Å; L596-A605 HydrophobicContact CD1-CB 4.02Å; L596-A605 HydrophobicContact CD2-CB 4.4Å
597	P	95.9	Very high	95	Very high	52 Å²	52	20 Å²	20	34%	0.338	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	169	173.4	29.6	-33.9	0	0	0	111.3	D255 V530 S600	D255-P597 CarbonylContact O-C 3.56Å; D255-P597 WeakPolarHBondContact O-CA 3.19Å; V530-P597 HydrophobicContact CG1-CG 4Å; P597-S600 WeakPolarHBondContact O-CB 3.3Å; P597-S600 PolarHBondContact O-N 2.99Å; P597-S600 PolarHBondContact O-OG 2.99Å
598	K	90.8	Very high	95.3	Very high	45 Å²	45	16 Å²	16	20%	0.196	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	156.2	170.4	61.6	-178.7	170.1	-167.5	0	112.2	G252 D255 D428 S600	G252-K598 PolarHBondContact O-NZ 2.6Å; D255-K598 PolarHBondContact O-N 3.14Å; D428-K598 IonicContact OD1-NZ 3.57Å; D428-K598 PolarHBondContact OD1-NZ 3.26Å; K598-S600 PolarHBondContact O-N 2.89Å; K598-S600 PolarHBondContact O-OG 3.26Å
599	S	88.6	Confident	95.4	Very high	29 Å²	29	14.7 Å²	14.7	20%	0.203	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	29.5	-177	-40.6	0	0	0	0	114.4	D433 R526	D433-S599 PolarHBondContact OD1-OG 2.85Å; D433-S599 WeakPolarHBondContact OD2-CA 3.45Å; D433-S599 PolarHBondContact OD2-N 3.14Å; D433-S599 PolarHBondContact OD2-OG 3.38Å; R526-S599 PolarHBondContact NH1-O 3.21Å; R526-S599 PolarHBondContact NH2-O 3.07Å
600	S	94.6	Very high	95.3	Very high	17 Å²	17	14.9 Å²	14.9	12%	0.119	8%	0.082	C	C	.	.			trans	-120.9	146.6	175.7	-56.8	0	0	0	0	111.1	P597 K598	P597-S600 WeakPolarHBondContact O-CB 3.3Å; P597-S600 PolarHBondContact O-N 2.99Å; P597-S600 PolarHBondContact O-OG 2.99Å; K598-S600 PolarHBondContact O-N 2.89Å; K598-S600 PolarHBondContact O-OG 3.26Å
601	Y	94.3	Very high	95	Very high	39 Å²	39	16.8 Å²	16.8	15%	0.153	9%	0.09	C	C	.	.			trans	-108.5	118.1	-175	-68.8	-98.9	0	0	0	111.2	Y288 Y289 T603 M604 A605	Y288-Y601 WeakPolarHBondContact O-CD2 3.36Å; Y289-Y601 AromaticContact CD1-CE2 3.92Å; Y289-Y601 HydrophobicContact CD1-CE2 3.92Å; Y601-T603 PolarHBondContact O-N 3.07Å; Y601-M604 PolarHBondContact O-N 2.93Å; Y601-A605 PolarHBondContact O-N 3.13Å; Y601-A605 VanDerWaalsContact O-N 3.09Å
602	A	94.7	Very high	93.6	Very high	6 Å²	6	20 Å²	20	5%	0.05	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-33.5	177.5	0	0	0	0	0	113	F52 F259 F594 L596 M604 A605 I606	F52-A602 HydrophobicContact CE2-CB 4.39Å; F52-A602 HydrophobicContact CZ-CB 4.05Å; F259-A602 HydrophobicContact CD1-CB 3.58Å; F259-A602 HydrophobicContact CD2-CB 4.09Å; F259-A602 HydrophobicContact CE1-CB 3.58Å; F259-A602 HydrophobicContact CE2-CB 4.09Å; F259-A602 HydrophobicContact CG-CB 3.84Å; F259-A602 HydrophobicContact CZ-CB 3.84Å; F594-A602 HydrophobicContact CE2-CB 4.24Å; F594-A602 HydrophobicContact CZ-CB 4.18Å; L596-A602 HydrophobicContact CD1-CB 4.24Å; A602-M604 VanDerWaalsContact C-N 3.33Å; A602-M604 PolarHBondContact O-N 2.96Å; A602-A605 WeakPolarHBondContact O-CB 3.41Å; A602-A605 PolarHBondContact O-N 3.46Å; A602-I606 WeakPolarHBondContact O-CD1 3.4Å; A602-I606 VanDerWaalsContact O-CG1 3.28Å; A602-I606 WeakPolarHBondContact O-CG1 3.45Å; A602-I606 PolarHBondContact O-N 3.25Å
603	T	92.5	Very high	91.6	Very high	22 Å²	22	22.7 Å²	22.7	14%	0.135	13%	0.126	C	C	.	.	H	α-helix	trans	-65	-36	176	53.4	0	0	0	0	112.2	L45 Y601 R607 E615	L45-T603 HydrophobicContact CD2-CG2 4.32Å; Y601-T603 PolarHBondContact O-N 3.07Å; T603-R607 WeakPolarHBondContact O-CB 3.06Å; T603-R607 PolarHBondContact O-N 3.42Å; T603-E615 WeakPolarHBondContact CB-OE1 3.37Å; T603-E615 WeakPolarHBondContact CG2-OE1 3.07Å
604	M	95.3	Very high	89.5	Confident	16 Å²	16	26.5 Å²	26.5	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-72.1	-34.2	174.4	-60.7	-59.5	102.5	0	0	111.7	I30 F285 Y601 A602 R607 E608	I30-M604 HydrophobicContact CD1-CE 4.41Å; I30-M604 HydrophobicContact CD1-SD 3.93Å; I30-M604 HydrophobicContact CG1-SD 4.5Å; I30-M604 HydrophobicContact CG2-SD 3.96Å; F285-M604 HydrophobicContact CD2-CB 4.16Å; F285-M604 HydrophobicContact CE2-CB 4.15Å; Y601-M604 PolarHBondContact O-N 2.93Å; A602-M604 VanDerWaalsContact C-N 3.33Å; A602-M604 PolarHBondContact O-N 2.96Å; M604-R607 WeakPolarHBondContact O-CB 3.47Å; M604-R607 PolarHBondContact O-N 3.35Å; M604-E608 PolarHBondContact O-N 3.45Å
605	A	96.6	Very high	87.3	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.8	-45.2	174.8	0	0	0	0	0	111.7	W280 F285 F594 L596 Y601 A602 E608	W280-A605 HydrophobicContact CZ2-CB 3.79Å; W280-A605 PolarHBondContact NE1-O 2.77Å; W280-A605 VanDerWaalsContact NE1-O 3.16Å; F285-A605 HydrophobicContact CD1-CB 3.68Å; F285-A605 HydrophobicContact CD2-CB 4.1Å; F285-A605 HydrophobicContact CE1-CB 3.44Å; F285-A605 VanDerWaalsContact CE1-CB 3.44Å; F285-A605 HydrophobicContact CE2-CB 3.89Å; F285-A605 HydrophobicContact CG-CB 4.02Å; F285-A605 HydrophobicContact CZ-CB 3.56Å; F594-A605 HydrophobicContact CE2-CB 4.44Å; L596-A605 HydrophobicContact CD1-CB 4.02Å; L596-A605 HydrophobicContact CD2-CB 4.4Å; Y601-A605 PolarHBondContact O-N 3.13Å; Y601-A605 VanDerWaalsContact O-N 3.09Å; A602-A605 WeakPolarHBondContact O-CB 3.41Å; A602-A605 PolarHBondContact O-N 3.46Å; A605-E608 WeakPolarHBondContact O-CB 3.29Å; A605-E608 PolarHBondContact O-N 2.62Å
606	I	95.4	Very high	85.1	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-66.4	-37.2	175.9	-67.3	160.6	0	0	0	111.3	L45 V261 L263 F594 A602 E608 L609 T610	L45-I606 HydrophobicContact CD1-CD1 4.13Å; L45-I606 HydrophobicContact CD2-CD1 4.14Å; V261-I606 HydrophobicContact CB-CD1 4.28Å; V261-I606 HydrophobicContact CG1-CD1 3.77Å; V261-I606 HydrophobicContact CG2-CD1 4.19Å; L263-I606 HydrophobicContact CD1-CG2 4.43Å; L263-I606 HydrophobicContact CD2-CG2 3.95Å; F594-I606 HydrophobicContact CZ-CG1 4.39Å; A602-I606 WeakPolarHBondContact O-CD1 3.4Å; A602-I606 VanDerWaalsContact O-CG1 3.28Å; A602-I606 WeakPolarHBondContact O-CG1 3.45Å; A602-I606 PolarHBondContact O-N 3.25Å; I606-E608 PolarHBondContact O-N 3.06Å; I606-L609 WeakPolarHBondContact O-CA 3.35Å; I606-L609 WeakPolarHBondContact O-CB 3.38Å; I606-L609 PolarHBondContact O-N 3.08Å; I606-T610 HydrophobicContact CG2-CG2 3.96Å; I606-T610 PolarHBondContact O-N 2.87Å; I606-T610 PolarHBondContact O-OG1 2.9Å
607	R	94.6	Very high	82.8	Confident	29 Å²	29	42.9 Å²	42.9	11%	0.109	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-37.3	175.8	178.4	-175.2	172.3	-79.7	-1.1	112	T32 F33 T603 M604 L609 K611 V613	T32-R607 PolarHBondContact O-NH1 3.31Å; F33-R607 VanDerWaalsContact CD1-NH1 3.31Å; F33-R607 HydrophobicContact CE1-CG 3.98Å; F33-R607 WeakPolarHBondContact CE1-O 3.4Å; T603-R607 WeakPolarHBondContact O-CB 3.06Å; T603-R607 PolarHBondContact O-N 3.42Å; M604-R607 WeakPolarHBondContact O-CB 3.47Å; M604-R607 PolarHBondContact O-N 3.35Å; R607-L609 PolarHBondContact O-N 3.26Å; R607-K611 WeakPolarHBondContact O-CA 3.46Å; R607-K611 PolarHBondContact O-N 2.91Å; R607-V613 HydrophobicContact CB-CG2 3.9Å; R607-V613 HydrophobicContact CG-CG2 4.23Å
608	E	95.6	Very high	82.2	Confident	9 Å²	9	42.5 Å²	42.5	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-30.9	177	-173.4	65.2	-145.3	0	0	112.7	F33 V34 Q35 F285 M604 A605 I606 K611	F33-E608 WeakPolarHBondContact CA-OE2 3.43Å; F33-E608 WeakPolarHBondContact CB-OE2 3.14Å; V34-E608 PolarHBondContact N-OE1 2.88Å; V34-E608 VanDerWaalsContact N-OE1 3.15Å; V34-E608 PolarHBondContact N-OE2 3.33Å; Q35-E608 PolarHBondContact N-OE1 3.29Å; F285-E608 HydrophobicContact CB-CB 3.63Å; F285-E608 HydrophobicContact CB-CG 3.92Å; M604-E608 PolarHBondContact O-N 3.45Å; A605-E608 WeakPolarHBondContact O-CB 3.29Å; A605-E608 PolarHBondContact O-N 2.62Å; I606-E608 PolarHBondContact O-N 3.06Å; E608-K611 WeakPolarHBondContact O-CD 3.44Å; E608-K611 WeakPolarHBondContact O-CE 3.43Å; E608-K611 PolarHBondContact O-NZ 3.43Å; E608-K611 IonicContact OE1-NZ 3.49Å; E608-K611 PolarHBondContact OE1-NZ 3.02Å
609	L	95.4	Very high	81.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-79.6	-46.4	177.5	-64.7	171.6	0	0	0	112.1	G40 F41 A276 V277 W280 L592 I606 R607	G40-L609 VanDerWaalsContact CA-O 3.23Å; G40-L609 WeakPolarHBondContact CA-O 3.39Å; F41-L609 HydrophobicContact CE1-CB 4Å; F41-L609 HydrophobicContact CZ-CB 4.14Å; A276-L609 HydrophobicContact CB-CD2 4.22Å; A276-L609 WeakPolarHBondContact O-CD2 3.48Å; V277-L609 HydrophobicContact CB-CD2 4.47Å; V277-L609 HydrophobicContact CG2-CD1 4.43Å; V277-L609 HydrophobicContact CG2-CD2 4Å; W280-L609 HydrophobicContact CB-CD2 3.4Å; W280-L609 VanDerWaalsContact CB-CD2 3.4Å; W280-L609 HydrophobicContact CB-CG 4.29Å; W280-L609 HydrophobicContact CD2-CD1 4.02Å; W280-L609 HydrophobicContact CD2-CD2 3.79Å; W280-L609 HydrophobicContact CD2-CG 3.94Å; W280-L609 HydrophobicContact CE3-CD1 3.9Å; W280-L609 HydrophobicContact CE3-CD2 3.93Å; W280-L609 HydrophobicContact CE3-CG 4.23Å; W280-L609 HydrophobicContact CG-CD2 3.61Å; W280-L609 HydrophobicContact CG-CG 3.99Å; W280-L609 HydrophobicContact CH2-CD1 4.4Å; W280-L609 HydrophobicContact CZ3-CD1 4.09Å; L592-L609 HydrophobicContact CD1-CD1 3.57Å; I606-L609 WeakPolarHBondContact O-CA 3.35Å; I606-L609 WeakPolarHBondContact O-CB 3.38Å; I606-L609 PolarHBondContact O-N 3.08Å; R607-L609 PolarHBondContact O-N 3.26Å
610	T	93.2	Very high	81.4	Confident	4 Å²	4	43.1 Å²	43.1	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-85.6	-24.7	-171.1	63.1	0	0	0	0	112.6	F41 L263 I606 T612 V613	F41-T610 HydrophobicContact CD2-CG2 4.43Å; F41-T610 HydrophobicContact CE2-CG2 4.09Å; F41-T610 HydrophobicContact CZ-CG2 4.4Å; F41-T610 PolarHBondContact N-O 2.94Å; F41-T610 WeakPolarHBondContact O-CA 3.41Å; F41-T610 WeakPolarHBondContact O-CB 3.41Å; L263-T610 HydrophobicContact CD1-CG2 4.46Å; I606-T610 HydrophobicContact CG2-CG2 3.96Å; I606-T610 PolarHBondContact O-N 2.87Å; I606-T610 PolarHBondContact O-OG1 2.9Å; T610-T612 WeakPolarHBondContact CB-O 3.48Å; T610-T612 PolarHBondContact O-N 3.37Å; T610-T612 PolarHBondContact O-OG1 2.66Å; T610-T612 PolarHBondContact OG1-O 3.17Å; T610-V613 VanDerWaalsContact OG1-CG2 3.24Å; T610-V613 WeakPolarHBondContact OG1-CG2 3.45Å
611	K	89.1	Confident	80.6	Confident	41 Å²	41	44.6 Å²	44.6	18%	0.178	22%	0.217	C	C	.	.	S	Bend	trans	59.4	-22.4	-173.2	-52.8	-59.9	-169.7	-161.1	0	115.1	F33 Q35 V38 R607 E608	F33-K611 HydrophobicContact CD1-CD 3.49Å; F33-K611 VanDerWaalsContact CD1-CD 3.49Å; F33-K611 HydrophobicContact CD2-CD 4.29Å; F33-K611 HydrophobicContact CE1-CB 4.34Å; F33-K611 HydrophobicContact CE1-CD 3.49Å; F33-K611 VanDerWaalsContact CE1-CD 3.49Å; F33-K611 HydrophobicContact CE1-CG 4.49Å; F33-K611 HydrophobicContact CE2-CD 4.32Å; F33-K611 HydrophobicContact CG-CD 3.89Å; F33-K611 HydrophobicContact CZ-CB 4.18Å; F33-K611 HydrophobicContact CZ-CD 3.93Å; F33-K611 WeakPolarHBondContact CZ-O 3.24Å; Q35-K611 WeakPolarHBondContact O-CE 3.23Å; Q35-K611 PolarHBondContact O-NZ 2.7Å; V38-K611 WeakPolarHBondContact O-CE 3.08Å; R607-K611 WeakPolarHBondContact O-CA 3.46Å; R607-K611 PolarHBondContact O-N 2.91Å; E608-K611 WeakPolarHBondContact O-CD 3.44Å; E608-K611 WeakPolarHBondContact O-CE 3.43Å; E608-K611 PolarHBondContact O-NZ 3.43Å; E608-K611 IonicContact OE1-NZ 3.49Å; E608-K611 PolarHBondContact OE1-NZ 3.02Å
612	T	69.5	Low	79.7	Confident	73 Å²	73	44.9 Å²	44.9	45%	0.448	22%	0.221	S	C	.	.	S	Bend	trans	-124.2	132.7	167.3	57.7	0	0	0	0	107.1	T610	T610-T612 WeakPolarHBondContact CB-O 3.48Å; T610-T612 PolarHBondContact O-N 3.37Å; T610-T612 PolarHBondContact O-OG1 2.66Å; T610-T612 PolarHBondContact OG1-O 3.17Å
613	V	55.4	Low	78.7	Confident	57 Å²	57	47.5 Å²	47.5	35%	0.345	23%	0.232	S	C	.	.			trans	-122.3	117.5	171.9	-175.1	0	0	0	0	108.1	R607 T610 E615	R607-V613 HydrophobicContact CB-CG2 3.9Å; R607-V613 HydrophobicContact CG-CG2 4.23Å; T610-V613 VanDerWaalsContact OG1-CG2 3.24Å; T610-V613 WeakPolarHBondContact OG1-CG2 3.45Å; V613-E615 HydrophobicContact CG1-CG 3.54Å
614	I	53.4	Low	77.7	Confident	111 Å²	111	49.4 Å²	49.4	57%	0.569	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	93.7	162.3	-55.4	174.6	0	0	0	106.5	K616	I614-K616 PolarHBondContact O-N 2.7Å
615	E	52.8	Low	76.4	Confident	79 Å²	79	51.9 Å²	51.9	37%	0.369	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.2	168.9	-67.2	-162.3	174.1	0	0	108.9	L45 T603 V613 K617	L45-E615 HydrophobicContact CD2-CG 4.37Å; T603-E615 WeakPolarHBondContact CB-OE1 3.37Å; T603-E615 WeakPolarHBondContact CG2-OE1 3.07Å; V613-E615 HydrophobicContact CG1-CG 3.54Å; E615-K617 PolarHBondContact O-N 3.46Å
616	K	52.4	Low	74.7	Confident	106 Å²	106	56.3 Å²	56.3	46%	0.461	27%	0.273	S	S	.	.			trans	-76.9	120.2	167.4	-74.6	-169.3	179.2	-176.7	0	109.4	T44 R210 I614	T44-K616 HydrophobicContact CG2-CD 3.85Å; T44-K616 HydrophobicContact CG2-CG 4.02Å; R210-K616 PolarHBondContact NH1-O 3.41Å; R210-K616 PolarHBondContact NH2-O 3.35Å; I614-K616 PolarHBondContact O-N 2.7Å
617	K	49.8	Very low	72.8	Confident	164 Å²	164	61.3 Å²	61.3	71%	0.713	30%	0.297	S	S	*	.			trans	-69	0	175.1	-83.8	-169.7	177.9	-180	0	112.3	I22 R210 E615	I22-K617 HydrophobicContact CD1-CD 4.49Å; R210-K617 PolarHBondContact NH1-OXT 3.38Å; R210-K617 PolarHBondContact NH2-OXT 2.97Å; R210-K617 VanDerWaalsContact NH2-OXT 3.08Å; E615-K617 PolarHBondContact O-N 3.46Å

Retrieved 617 of 617 residues in 952.9 ms (Link to these results)

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