A0A3Q0KLV9_SCHMA Loading...

ATP-dependent RNA helicase

RNA helicase.

AlphaFold DB (A0A5K4ELX9), UniProt , Accession A0A3Q0KLV9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 731 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	30.9	Very low	28.5	Very low	244 Å²	244	158.1 Å²	158.1	100%	1.202	87%	0.867	S	S	*	*				0	67.2	0	-71.3	-172	174.2	0	0	108.9
2	Y	29.1	Very low	28.8	Very low	225 Å²	225	150.8 Å²	150.8	88%	0.882	86%	0.855	S	S	*	*			trans	-109.6	111.4	173.3	-79.1	-83.3	0	0	0	106.2
3	D	28.4	Very low	28.9	Very low	155 Å²	155	147.8 Å²	147.8	83%	0.829	85%	0.847	S	S	*	*			trans	-174.6	106.5	156.1	-92	-24.2	0	0	0	107.4
4	N	27.8	Very low	29.3	Very low	164 Å²	164	153.8 Å²	153.8	88%	0.877	85%	0.849	S	S	*	*			trans	173.4	93.4	152.3	-92.6	-23.6	0	0	0	110.2
5	C	30	Very low	30.1	Very low	120 Å²	120	147.9 Å²	147.9	81%	0.811	82%	0.819	S	S	*	*			trans	-155	87.2	150.7	-95.2	0	0	0	0	108	F7	C5-F7 PolarHBondContact O-N 2.87Å
6	G	25.5	Very low	30.8	Very low	82 Å²	82	148.4 Å²	148.4	85%	0.845	81%	0.814	S	S	*	*			trans	-70.2	104	170.9	0	0	0	0	0	110.5	S8	G6-S8 PolarHBondContact O-N 3.15Å
7	F	29.2	Very low	32	Very low	191 Å²	191	140.7 Å²	140.7	84%	0.838	77%	0.772	S	S	*	*			trans	-79.8	100.3	158.1	-88	-89.9	0	0	0	107.9	C5 N9	C5-F7 PolarHBondContact O-N 2.87Å; F7-N9 PolarHBondContact O-N 3.28Å
8	S	26.8	Very low	33.5	Very low	115 Å²	115	140.4 Å²	140.4	80%	0.804	77%	0.766	S	S	*	*			trans	-62.6	98.8	163.3	53.7	0	0	0	0	108.3	G6 S10	G6-S8 PolarHBondContact O-N 3.15Å; S8-S10 PolarHBondContact O-N 3.38Å
9	N	27.8	Very low	35.8	Very low	145 Å²	145	133.8 Å²	133.8	78%	0.775	73%	0.734	S	S	*	*			trans	-54.9	111.2	162.3	-91.1	-25.7	0	0	0	107.9	F7 Q11	F7-N9 PolarHBondContact O-N 3.28Å; N9-Q11 PolarHBondContact O-N 2.78Å
10	S	29.2	Very low	38.3	Very low	120 Å²	120	127.2 Å²	127.2	84%	0.839	70%	0.697	S	S	*	*			trans	-62.6	87.1	160.5	55.4	0	0	0	0	107.5	S8 G12	S8-S10 PolarHBondContact O-N 3.38Å; S10-G12 PolarHBondContact O-N 2.83Å
11	Q	29.1	Very low	40.5	Very low	178 Å²	178	125.7 Å²	125.7	83%	0.832	69%	0.689	S	S	*	*			trans	-60.3	110.7	163.5	-68.3	-162.3	-1.6	0	0	106.3	N9 C13	N9-Q11 PolarHBondContact O-N 2.78Å; Q11-C13 PolarHBondContact O-N 3.35Å
12	G	31.9	Very low	43.1	Very low	70 Å²	70	118.7 Å²	118.7	72%	0.722	66%	0.664	S	S	*	*			trans	-53.6	110.5	164.2	0	0	0	0	0	106.8	S10 R14	S10-G12 PolarHBondContact O-N 2.83Å; G12-R14 PolarHBondContact O-N 3.09Å
13	C	30.5	Very low	46.1	Very low	112 Å²	112	108.3 Å²	108.3	76%	0.757	62%	0.623	S	S	*	*			trans	-55.6	102.7	178.4	-167.4	0	0	0	0	107.2	Q11 V15	Q11-C13 PolarHBondContact O-N 3.35Å; C13-V15 PolarHBondContact O-N 2.75Å
14	R	33.6	Very low	49	Very low	232 Å²	232	107 Å²	107	88%	0.875	62%	0.616	S	S	*	*			trans	-67.1	95.8	162.7	-83.2	-177.2	172	176.8	-0.9	104.6	G12 E16	G12-R14 PolarHBondContact O-N 3.09Å; R14-E16 PolarHBondContact O-N 2.81Å
15	V	41.5	Very low	52.2	Low	65 Å²	65	99.8 Å²	99.8	39%	0.394	58%	0.578	S	S	.	*			trans	-62.3	103.3	170	-177.5	0	0	0	0	106	C13 V17 E39	C13-V15 PolarHBondContact O-N 2.75Å; V15-V17 WeakPolarHBondContact O-CG2 3.49Å; V15-V17 PolarHBondContact O-N 2.71Å; V15-E39 HydrophobicContact CG1-CG 4.12Å
16	E	41.7	Very low	55.1	Low	157 Å²	157	96.1 Å²	96.1	73%	0.734	55%	0.553	S	S	*	*			trans	-59.9	118.2	170.7	-76	-179.4	163.8	0	0	107.6	R14 M18	R14-E16 PolarHBondContact O-N 2.81Å; E16-M18 HydrophobicContact CB-CG 4.27Å; E16-M18 HydrophobicContact CB-SD 4.46Å; E16-M18 PolarHBondContact O-N 3.2Å
17	V	51.4	Low	58.3	Low	17 Å²	17	99 Å²	99	10%	0.103	55%	0.548	C	S	.	.			trans	-82.6	57.4	-170.6	-174.8	0	0	0	0	109.7	V15 G19 W20 V30	V15-V17 WeakPolarHBondContact O-CG2 3.49Å; V15-V17 PolarHBondContact O-N 2.71Å; V17-G19 PolarHBondContact O-N 2.77Å; V17-W20 HydrophobicContact CG1-CB 4.13Å; V17-W20 HydrophobicContact CG1-CG 3.87Å; V17-W20 PolarHBondContact O-N 3.41Å; V17-V30 HydrophobicContact CB-CG1 4.47Å
18	M	57.9	Low	61.4	Low	136 Å²	136	91.4 Å²	91.4	67%	0.67	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-23.7	-174.1	-62.9	-67.4	-79	0	0	113.2	E16 W20	E16-M18 HydrophobicContact CB-CG 4.27Å; E16-M18 HydrophobicContact CB-SD 4.46Å; E16-M18 PolarHBondContact O-N 3.2Å; M18-W20 VanDerWaalsContact C-N 3.33Å; M18-W20 PolarHBondContact O-N 3.22Å
19	G	76.9	Confident	64.6	Low	15 Å²	15	85.9 Å²	85.9	16%	0.155	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-26.2	-177.5	0	0	0	0	0	114.9	V17 S22 N40 P41	V17-G19 PolarHBondContact O-N 2.77Å; G19-S22 PolarHBondContact O-OG 3.15Å; G19-N40 VanDerWaalsContact CA-OD1 3.24Å; G19-N40 WeakPolarHBondContact CA-OD1 3.06Å; G19-P41 VanDerWaalsContact O-CD 3.23Å; G19-P41 WeakPolarHBondContact O-CD 3.3Å
20	W	87	Confident	67.6	Low	1 Å²	1	80.5 Å²	80.5	0%	0.004	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.6	-172.3	-67.4	79	0	0	0	114.2	V17 M18 S22 L23 L25 L33 L38 E39 P41 I49 I75	V17-W20 HydrophobicContact CG1-CB 4.13Å; V17-W20 HydrophobicContact CG1-CG 3.87Å; V17-W20 PolarHBondContact O-N 3.41Å; M18-W20 VanDerWaalsContact C-N 3.33Å; M18-W20 PolarHBondContact O-N 3.22Å; W20-S22 PolarHBondContact O-N 2.75Å; W20-L23 HydrophobicContact CE3-CD1 3.86Å; W20-L23 HydrophobicContact CZ3-CD1 4.13Å; W20-L23 WeakPolarHBondContact O-CB 3.17Å; W20-L23 PolarHBondContact O-N 2.91Å; W20-L25 HydrophobicContact CD2-CD1 4.39Å; W20-L25 HydrophobicContact CE3-CD1 3.5Å; W20-L25 HydrophobicContact CZ3-CD1 4.07Å; W20-L33 HydrophobicContact CD2-CD1 3.72Å; W20-L33 HydrophobicContact CE3-CD1 3.7Å; W20-L33 HydrophobicContact CG-CD1 4.36Å; W20-L33 HydrophobicContact CH2-CD1 4.06Å; W20-L33 HydrophobicContact CH2-CD2 4.29Å; W20-L33 HydrophobicContact CZ2-CD1 4.08Å; W20-L33 HydrophobicContact CZ2-CD2 4.23Å; W20-L33 HydrophobicContact CZ3-CD1 3.87Å; W20-L38 HydrophobicContact CZ2-CB 4.37Å; W20-L38 PolarHBondContact NE1-O 3.08Å; W20-E39 VanDerWaalsContact CD1-O 3.23Å; W20-E39 PolarHBondContact NE1-O 2.79Å; W20-P41 HydrophobicContact CD2-CB 4.21Å; W20-P41 HydrophobicContact CD2-CG 4.45Å; W20-P41 HydrophobicContact CE3-CB 3.97Å; W20-P41 HydrophobicContact CE3-CG 4.48Å; W20-P41 HydrophobicContact CH2-CB 3.97Å; W20-P41 HydrophobicContact CZ2-CB 4.18Å; W20-P41 HydrophobicContact CZ3-CB 3.85Å; W20-I49 HydrophobicContact CZ3-CD1 4.09Å; W20-I75 HydrophobicContact CH2-CD1 4.18Å; W20-I75 HydrophobicContact CZ3-CD1 3.7Å
21	D	84.6	Confident	70.6	Confident	96 Å²	96	80.1 Å²	80.1	51%	0.513	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-58.8	-34.2	-178.5	-64.4	-26.6	0	0	0	112.1	L23 N24	D21-L23 PolarHBondContact O-N 3.41Å; D21-N24 PolarHBondContact O-N 3.21Å; D21-N24 VanDerWaalsContact O-N 3.09Å
22	S	85.9	Confident	73.5	Confident	97 Å²	97	71.7 Å²	71.7	68%	0.678	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-58.1	-20.3	175.4	65.1	0	0	0	0	114.3	G19 W20	G19-S22 PolarHBondContact O-OG 3.15Å; W20-S22 PolarHBondContact O-N 2.75Å
23	L	90.3	Very high	76.3	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-98.3	-2	-178.1	-59.7	-178.8	0	0	0	113.6	W20 D21 L25 P41 T46 I49 P50 H54	W20-L23 HydrophobicContact CE3-CD1 3.86Å; W20-L23 HydrophobicContact CZ3-CD1 4.13Å; W20-L23 WeakPolarHBondContact O-CB 3.17Å; W20-L23 PolarHBondContact O-N 2.91Å; D21-L23 PolarHBondContact O-N 3.41Å; L23-L25 HydrophobicContact CB-CD2 4.05Å; L23-L25 HydrophobicContact CB-CG 4Å; L23-L25 PolarHBondContact O-N 3.14Å; L23-P41 HydrophobicContact CD1-CB 3.81Å; L23-P41 HydrophobicContact CD1-CG 3.95Å; L23-T46 HydrophobicContact CD2-CG2 4.44Å; L23-I49 HydrophobicContact CD1-CD1 4.01Å; L23-P50 HydrophobicContact CD2-CG 3.84Å; L23-H54 PolarHBondContact O-CE1 3.22Å
24	N	90.8	Very high	79	Confident	127 Å²	127	65.2 Å²	65.2	68%	0.679	34%	0.337	S	S	*	.			trans	48.5	52.4	178.2	-166	36.3	0	0	0	113.3	D21	D21-N24 PolarHBondContact O-N 3.21Å; D21-N24 VanDerWaalsContact O-N 3.09Å
25	L	93.5	Very high	81.4	Confident	13 Å²	13	57.8 Å²	57.8	7%	0.068	32%	0.315	C	S	.	.			trans	-81.6	152.5	-177	-60.5	-172.2	0	0	0	112.2	W20 L23 I29 V30 L33 I49 L53 I75	W20-L25 HydrophobicContact CD2-CD1 4.39Å; W20-L25 HydrophobicContact CE3-CD1 3.5Å; W20-L25 HydrophobicContact CZ3-CD1 4.07Å; L23-L25 HydrophobicContact CB-CD2 4.05Å; L23-L25 HydrophobicContact CB-CG 4Å; L23-L25 PolarHBondContact O-N 3.14Å; L25-I29 HydrophobicContact CD1-CG2 4.16Å; L25-V30 HydrophobicContact CB-CG2 3.84Å; L25-L33 HydrophobicContact CD1-CD1 3.9Å; L25-I49 HydrophobicContact CD2-CG2 3.94Å; L25-L53 HydrophobicContact CD2-CD2 3.59Å; L25-I75 HydrophobicContact CD1-CD1 4.21Å; L25-I75 HydrophobicContact CD1-CG2 4.33Å; L25-I75 HydrophobicContact CD2-CG2 3.72Å
26	P	92.5	Very high	83.4	Confident	44 Å²	44	56.9 Å²	56.9	29%	0.286	31%	0.311	S	S	.	.			trans	-58.5	140.6	171.1	-22.9	32.6	0	0	0	113.1	Y28 I29 V30	P26-Y28 VanDerWaalsContact C-N 3.25Å; P26-Y28 HydrophobicContact CB-CD1 3.67Å; P26-Y28 HydrophobicContact CB-CE1 3.36Å; P26-Y28 HydrophobicContact CG-CE1 4.07Å; P26-Y28 PolarHBondContact O-N 2.82Å; P26-Y28 VanDerWaalsContact O-N 3.11Å; P26-I29 HydrophobicContact CB-CG1 4.41Å; P26-I29 HydrophobicContact CG-CD1 4.24Å; P26-I29 WeakPolarHBondContact O-CA 3.24Å; P26-I29 WeakPolarHBondContact O-CB 3.25Å; P26-I29 PolarHBondContact O-N 3.12Å; P26-V30 PolarHBondContact O-N 2.7Å; P26-V30 VanDerWaalsContact O-N 3.15Å
27	D	92.5	Very high	85.4	Confident	142 Å²	142	51.5 Å²	51.5	76%	0.759	30%	0.298	S	S	*	.	H	α-helix	trans	-52.4	-39.1	-175.9	-61.3	-18.2	0	0	0	114.1	I29 V30 K31	D27-I29 VanDerWaalsContact C-N 3.25Å; D27-I29 PolarHBondContact O-N 2.97Å; D27-V30 PolarHBondContact O-N 3.38Å; D27-K31 WeakPolarHBondContact O-CB 3.14Å; D27-K31 PolarHBondContact O-N 3.46Å
28	Y	93.5	Very high	86.8	Confident	31 Å²	31	53.3 Å²	53.3	12%	0.122	31%	0.306	C	S	.	.	H	α-helix	trans	-66	-30	-179.8	72.3	-93.5	0	0	0	112.4	P26 A32 F82 M203 V206	P26-Y28 VanDerWaalsContact C-N 3.25Å; P26-Y28 HydrophobicContact CB-CD1 3.67Å; P26-Y28 HydrophobicContact CB-CE1 3.36Å; P26-Y28 HydrophobicContact CG-CE1 4.07Å; P26-Y28 PolarHBondContact O-N 2.82Å; P26-Y28 VanDerWaalsContact O-N 3.11Å; Y28-A32 WeakPolarHBondContact O-CB 3.47Å; Y28-A32 PolarHBondContact O-N 2.82Å; Y28-A32 VanDerWaalsContact O-N 3.15Å; Y28-F82 HydrophobicContact CD1-CZ 4.45Å; Y28-F82 AromaticContact CE1-CD1 3.95Å; Y28-F82 HydrophobicContact CE1-CD1 3.95Å; Y28-F82 HydrophobicContact CE1-CD2 4.19Å; Y28-F82 HydrophobicContact CE1-CE1 4Å; Y28-F82 HydrophobicContact CE1-CE2 4.21Å; Y28-F82 HydrophobicContact CE1-CG 4.05Å; Y28-F82 HydrophobicContact CE1-CZ 4.14Å; Y28-F82 AromaticContact CZ-CG 3.94Å; Y28-F82 WeakPolarHBondContact OH-CB 3.29Å; Y28-M203 HydrophobicContact CD2-SD 4.49Å; Y28-M203 HydrophobicContact CE2-CE 4.32Å; Y28-M203 HydrophobicContact CE2-SD 3.74Å; Y28-V206 HydrophobicContact CD2-CG2 3.72Å; Y28-V206 HydrophobicContact CE2-CG2 4.08Å; Y28-V206 HydrophobicContact CG-CG2 4.01Å
29	I	93.8	Very high	87.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-75.9	-46.9	175.4	-62.6	-170.9	0	0	0	109.7	L25 P26 D27 K31 A32 L33 I75 V78 S79 L202	L25-I29 HydrophobicContact CD1-CG2 4.16Å; P26-I29 HydrophobicContact CB-CG1 4.41Å; P26-I29 HydrophobicContact CG-CD1 4.24Å; P26-I29 WeakPolarHBondContact O-CA 3.24Å; P26-I29 WeakPolarHBondContact O-CB 3.25Å; P26-I29 PolarHBondContact O-N 3.12Å; D27-I29 VanDerWaalsContact C-N 3.25Å; D27-I29 PolarHBondContact O-N 2.97Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 2.72Å; I29-A32 CarbonylContact O-C 3.6Å; I29-A32 WeakPolarHBondContact O-CB 3.27Å; I29-A32 PolarHBondContact O-N 3.02Å; I29-L33 HydrophobicContact CG2-CD1 3.8Å; I29-L33 HydrophobicContact CG2-CG 4.15Å; I29-L33 VanDerWaalsContact O-CG 3.31Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 2.87Å; I29-I75 HydrophobicContact CD1-CG2 4.11Å; I29-I75 HydrophobicContact CG2-CD1 4.45Å; I29-I75 HydrophobicContact CG2-CG1 4.13Å; I29-I75 HydrophobicContact CG2-CG2 4.41Å; I29-V78 HydrophobicContact CD1-CG2 3.87Å; I29-S79 WeakPolarHBondContact CD1-OG 3.38Å; I29-L202 HydrophobicContact CG2-CD2 4.2Å
30	V	92.3	Very high	88.3	Confident	32 Å²	32	56.5 Å²	56.5	19%	0.194	32%	0.319	C	S	.	.	H	α-helix	trans	-56.2	-45.4	177.6	178.9	0	0	0	0	110.3	V17 L25 P26 D27 A32 L33 S34	V17-V30 HydrophobicContact CB-CG1 4.47Å; L25-V30 HydrophobicContact CB-CG2 3.84Å; P26-V30 PolarHBondContact O-N 2.7Å; P26-V30 VanDerWaalsContact O-N 3.15Å; D27-V30 PolarHBondContact O-N 3.38Å; V30-A32 PolarHBondContact O-N 3.21Å; V30-L33 PolarHBondContact O-N 3.22Å; V30-S34 PolarHBondContact O-N 3.15Å
31	K	91	Very high	88.5	Confident	111 Å²	111	57.5 Å²	57.5	48%	0.483	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-41.1	175.5	-164.7	-177.6	-178.6	-175.6	0	112.8	D27 I29 S34 D35 Y205	D27-K31 WeakPolarHBondContact O-CB 3.14Å; D27-K31 PolarHBondContact O-N 3.46Å; I29-K31 VanDerWaalsContact C-N 3.26Å; I29-K31 PolarHBondContact O-N 2.72Å; K31-S34 WeakPolarHBondContact O-CB 3.13Å; K31-S34 PolarHBondContact O-N 3.38Å; K31-D35 PolarHBondContact O-N 3.41Å; K31-D35 VanDerWaalsContact O-N 3.12Å; K31-Y205 HydrophobicContact CB-CD2 4.16Å; K31-Y205 HydrophobicContact CB-CE2 3.86Å; K31-Y205 HydrophobicContact CD-CD1 4.17Å; K31-Y205 HydrophobicContact CD-CD2 4.04Å; K31-Y205 HydrophobicContact CD-CE1 3.75Å; K31-Y205 HydrophobicContact CD-CE2 3.63Å; K31-Y205 HydrophobicContact CD-CG 4.29Å; K31-Y205 VanDerWaalsContact CD-CZ 3.45Å; K31-Y205 VanDerWaalsContact CE-CZ 3.4Å; K31-Y205 VanDerWaalsContact CE-OH 3.31Å; K31-Y205 WeakPolarHBondContact CE-OH 3.33Å; K31-Y205 HydrophobicContact CG-CD2 4.18Å; K31-Y205 HydrophobicContact CG-CE1 4.43Å; K31-Y205 HydrophobicContact CG-CE2 3.5Å; K31-Y205 VanDerWaalsContact CG-CE2 3.5Å
32	A	91	Very high	88.7	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.008	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-35.3	176.8	0	0	0	0	0	112.9	Y28 I29 V30 C36 A201 Y205	Y28-A32 WeakPolarHBondContact O-CB 3.47Å; Y28-A32 PolarHBondContact O-N 2.82Å; Y28-A32 VanDerWaalsContact O-N 3.15Å; I29-A32 CarbonylContact O-C 3.6Å; I29-A32 WeakPolarHBondContact O-CB 3.27Å; I29-A32 PolarHBondContact O-N 3.02Å; V30-A32 PolarHBondContact O-N 3.21Å; A32-C36 PolarHBondContact O-N 2.72Å; A32-C36 PolarHBondContact O-SG 2.88Å; A32-A201 WeakPolarHBondContact CB-O 3.46Å; A32-Y205 HydrophobicContact CB-CD2 4.21Å; A32-Y205 HydrophobicContact CB-CE2 4.34Å
33	L	89.8	Confident	88.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.1	-40.3	175.3	-69	170.4	0	0	0	111.4	W20 L25 I29 V30 D35 C36 G37 L38 L71 I75 L202	W20-L33 HydrophobicContact CD2-CD1 3.72Å; W20-L33 HydrophobicContact CE3-CD1 3.7Å; W20-L33 HydrophobicContact CG-CD1 4.36Å; W20-L33 HydrophobicContact CH2-CD1 4.06Å; W20-L33 HydrophobicContact CH2-CD2 4.29Å; W20-L33 HydrophobicContact CZ2-CD1 4.08Å; W20-L33 HydrophobicContact CZ2-CD2 4.23Å; W20-L33 HydrophobicContact CZ3-CD1 3.87Å; L25-L33 HydrophobicContact CD1-CD1 3.9Å; I29-L33 HydrophobicContact CG2-CD1 3.8Å; I29-L33 HydrophobicContact CG2-CG 4.15Å; I29-L33 VanDerWaalsContact O-CG 3.31Å; I29-L33 WeakPolarHBondContact O-CG 3.4Å; I29-L33 PolarHBondContact O-N 2.87Å; V30-L33 PolarHBondContact O-N 3.22Å; L33-D35 PolarHBondContact O-N 3.06Å; L33-C36 CarbonylContact O-C 3.6Å; L33-C36 WeakPolarHBondContact O-CB 3.22Å; L33-C36 PolarHBondContact O-N 3.28Å; L33-C36 VanDerWaalsContact O-N 3.1Å; L33-G37 PolarHBondContact O-N 3.46Å; L33-L38 HydrophobicContact CD2-CD1 3.85Å; L33-L38 PolarHBondContact O-N 3.21Å; L33-L38 VanDerWaalsContact O-N 3.13Å; L33-L71 HydrophobicContact CD2-CD1 4.14Å; L33-I75 HydrophobicContact CD1-CD1 4.22Å; L33-L202 HydrophobicContact CD2-CD2 3.83Å; L33-L202 HydrophobicContact CG-CD2 4.28Å
34	S	86.7	Confident	88.9	Confident	46 Å²	46	54.7 Å²	54.7	32%	0.322	31%	0.31	S	S	.	.	H	α-helix	trans	-57	-47.5	172.5	-170.8	0	0	0	0	111.4	V30 K31 C36 G37	V30-S34 PolarHBondContact O-N 3.15Å; K31-S34 WeakPolarHBondContact O-CB 3.13Å; K31-S34 PolarHBondContact O-N 3.38Å; S34-C36 PolarHBondContact O-N 3.04Å; S34-G37 PolarHBondContact O-N 3.22Å
35	D	85.7	Confident	89.1	Confident	76 Å²	76	49 Å²	49	41%	0.406	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-27.5	176.5	-72	-14.4	0	0	0	113.5	K31 L33 K204 Y205	K31-D35 PolarHBondContact O-N 3.41Å; K31-D35 VanDerWaalsContact O-N 3.12Å; L33-D35 PolarHBondContact O-N 3.06Å; D35-K204 WeakPolarHBondContact OD2-CE 3.4Å; D35-K204 IonicContact OD2-NZ 3.91Å; D35-K204 PolarHBondContact OD2-NZ 2.91Å; D35-Y205 PolarHBondContact OD1-OH 3.15Å; D35-Y205 WeakPolarHBondContact OD2-CE2 3.34Å; D35-Y205 VanDerWaalsContact OD2-CZ 3.24Å; D35-Y205 PolarHBondContact OD2-OH 2.89Å
36	C	83.3	Confident	89.1	Confident	47 Å²	47	51.4 Å²	51.4	32%	0.318	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.1	174.4	-65.5	0	0	0	0	112.8	A32 L33 S34 L38	A32-C36 PolarHBondContact O-N 2.72Å; A32-C36 PolarHBondContact O-SG 2.88Å; L33-C36 CarbonylContact O-C 3.6Å; L33-C36 WeakPolarHBondContact O-CB 3.22Å; L33-C36 PolarHBondContact O-N 3.28Å; L33-C36 VanDerWaalsContact O-N 3.1Å; S34-C36 PolarHBondContact O-N 3.04Å; C36-L38 HydrophobicContact CB-CD1 4.07Å; C36-L38 HydrophobicContact CB-CG 4.07Å
37	G	82.3	Confident	89.2	Confident	44 Å²	44	51.1 Å²	51.1	45%	0.454	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	29.7	-176.5	0	0	0	0	0	113.7	L33 S34	L33-G37 PolarHBondContact O-N 3.46Å; S34-G37 PolarHBondContact O-N 3.22Å
38	L	82.2	Confident	89.4	Confident	54 Å²	54	44.4 Å²	44.4	28%	0.283	26%	0.26	S	S	.	.			trans	-98	100.2	-179.1	-65.6	174.2	0	0	0	110.9	W20 L33 C36 L71	W20-L38 HydrophobicContact CZ2-CB 4.37Å; W20-L38 PolarHBondContact NE1-O 3.08Å; L33-L38 HydrophobicContact CD2-CD1 3.85Å; L33-L38 PolarHBondContact O-N 3.21Å; L33-L38 VanDerWaalsContact O-N 3.13Å; C36-L38 HydrophobicContact CB-CD1 4.07Å; C36-L38 HydrophobicContact CB-CG 4.07Å; L38-L71 HydrophobicContact CD1-CD1 3.42Å; L38-L71 VanDerWaalsContact CD1-CD1 3.42Å
39	E	79.7	Confident	89.5	Confident	114 Å²	114	42.9 Å²	42.9	53%	0.533	25%	0.254	S	S	.	.			trans	-77.6	-41.7	-173.9	-61.4	-179.2	171.1	0	0	114	V15 W20	V15-E39 HydrophobicContact CG1-CG 4.12Å; W20-E39 VanDerWaalsContact CD1-O 3.23Å; W20-E39 PolarHBondContact NE1-O 2.79Å
40	N	86.1	Confident	89.6	Confident	105 Å²	105	45 Å²	45	56%	0.561	27%	0.268	S	S	*	.	S	Bend	trans	-132.5	141.3	-173.1	-70	-68.8	0	0	0	112.1	G19	G19-N40 VanDerWaalsContact CA-OD1 3.24Å; G19-N40 WeakPolarHBondContact CA-OD1 3.06Å
41	P	90.5	Very high	89.7	Confident	22 Å²	22	44.8 Å²	44.8	14%	0.143	27%	0.267	C	S	.	.			trans	-68.9	139.8	172.8	28.8	-33.7	0	0	0	111.2	G19 W20 L23 Q45	G19-P41 VanDerWaalsContact O-CD 3.23Å; G19-P41 WeakPolarHBondContact O-CD 3.3Å; W20-P41 HydrophobicContact CD2-CB 4.21Å; W20-P41 HydrophobicContact CD2-CG 4.45Å; W20-P41 HydrophobicContact CE3-CB 3.97Å; W20-P41 HydrophobicContact CE3-CG 4.48Å; W20-P41 HydrophobicContact CH2-CB 3.97Å; W20-P41 HydrophobicContact CZ2-CB 4.18Å; W20-P41 HydrophobicContact CZ3-CB 3.85Å; L23-P41 HydrophobicContact CD1-CB 3.81Å; L23-P41 HydrophobicContact CD1-CG 3.95Å; P41-Q45 HydrophobicContact CB-CB 4.1Å
42	T	88.7	Confident	89.9	Confident	41 Å²	41	39.6 Å²	39.6	25%	0.252	25%	0.245	S	C	.	.			trans	-70.5	159.2	172.2	60.6	0	0	0	0	111.4	I44 Q45 T46 S67	T42-I44 VanDerWaalsContact C-N 3.26Å; T42-I44 PolarHBondContact O-N 3.36Å; T42-I44 VanDerWaalsContact O-N 3.11Å; T42-Q45 WeakPolarHBondContact O-CA 3.47Å; T42-Q45 WeakPolarHBondContact O-CB 3.2Å; T42-Q45 PolarHBondContact O-N 2.94Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.35Å; T42-Q45 PolarHBondContact OG1-NE2 2.86Å; T42-Q45 PolarHBondContact OG1-OE1 2.91Å; T42-T46 PolarHBondContact O-N 2.84Å; T42-T46 PolarHBondContact O-OG1 2.78Å; T42-S67 VanDerWaalsContact CB-O 3.27Å; T42-S67 WeakPolarHBondContact CB-O 3.16Å; T42-S67 WeakPolarHBondContact CG2-O 3.37Å; T42-S67 PolarHBondContact OG1-O 2.97Å
43	P	90.2	Very high	90.1	Very high	97 Å²	97	40.5 Å²	40.5	63%	0.63	25%	0.249	S	C	*	.	H	α-helix	trans	-53.5	-37.4	-179.1	-30.3	36.7	0	0	0	114.8	A47 L393	P43-A47 WeakPolarHBondContact O-CB 3.23Å; P43-A47 PolarHBondContact O-N 2.7Å; P43-L393 HydrophobicContact CB-CD1 3.94Å
44	I	91.5	Very high	90.2	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-70.6	-33.9	177.1	-170.7	56	0	0	0	112.2	T42 A48 A63 S67 K69 A72 F338 I391 L393	T42-I44 VanDerWaalsContact C-N 3.26Å; T42-I44 PolarHBondContact O-N 3.36Å; T42-I44 VanDerWaalsContact O-N 3.11Å; I44-A48 WeakPolarHBondContact O-CB 3.4Å; I44-A48 PolarHBondContact O-N 3.26Å; I44-A63 HydrophobicContact CB-CB 3.88Å; I44-A63 HydrophobicContact CD1-CB 3.94Å; I44-A63 HydrophobicContact CG1-CB 3.74Å; I44-A63 HydrophobicContact CG2-CB 4.45Å; I44-S67 WeakPolarHBondContact CG2-O 3.44Å; I44-K69 HydrophobicContact CG1-CG 4.39Å; I44-K69 HydrophobicContact CG2-CG 4.48Å; I44-A72 HydrophobicContact CG1-CB 4.42Å; I44-A72 HydrophobicContact CG2-CB 4.46Å; I44-F338 HydrophobicContact CD1-CE1 4.28Å; I44-F338 HydrophobicContact CG1-CE1 4.11Å; I44-I391 HydrophobicContact CD1-CG2 3.89Å; I44-L393 HydrophobicContact CB-CD1 3.84Å; I44-L393 HydrophobicContact CD1-CD1 4.01Å
45	Q	94.3	Very high	90.3	Very high	7 Å²	7	44.5 Å²	44.5	3%	0.033	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-48.5	175.1	-70.5	159.9	-3.8	0	0	109.8	P41 T42 A47 A48 I49 G68 A72	P41-Q45 HydrophobicContact CB-CB 4.1Å; T42-Q45 WeakPolarHBondContact O-CA 3.47Å; T42-Q45 WeakPolarHBondContact O-CB 3.2Å; T42-Q45 PolarHBondContact O-N 2.94Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.35Å; T42-Q45 PolarHBondContact OG1-NE2 2.86Å; T42-Q45 PolarHBondContact OG1-OE1 2.91Å; Q45-A47 VanDerWaalsContact C-N 3.29Å; Q45-A47 PolarHBondContact O-N 2.86Å; Q45-A48 PolarHBondContact O-N 3.28Å; Q45-I49 HydrophobicContact CB-CD1 3.74Å; Q45-I49 HydrophobicContact CB-CG1 4.48Å; Q45-I49 HydrophobicContact CG-CD1 4.32Å; Q45-I49 VanDerWaalsContact O-CB 3.23Å; Q45-I49 WeakPolarHBondContact O-CB 3.48Å; Q45-I49 WeakPolarHBondContact O-CD1 3.46Å; Q45-I49 WeakPolarHBondContact O-CG1 3.46Å; Q45-I49 PolarHBondContact O-N 3.09Å; Q45-G68 PolarHBondContact NE2-O 2.61Å; Q45-A72 HydrophobicContact CB-CB 4.46Å; Q45-A72 HydrophobicContact CG-CB 3.83Å
46	T	94.1	Very high	90.5	Very high	64 Å²	64	45.4 Å²	45.4	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-39.3	177.6	-51.7	0	0	0	0	112.4	L23 T42 P50	L23-T46 HydrophobicContact CD2-CG2 4.44Å; T42-T46 PolarHBondContact O-N 2.84Å; T42-T46 PolarHBondContact O-OG1 2.78Å; T46-P50 WeakPolarHBondContact O-CD 3.5Å; T46-P50 WeakPolarHBondContact O-CG 3.37Å
47	A	94.1	Very high	91	Very high	38 Å²	38	44.9 Å²	44.9	31%	0.314	27%	0.272	S	S	.	.	H	α-helix	trans	-77.1	-37.9	179.6	0	0	0	0	0	113.5	P43 Q45 P51 I391	P43-A47 WeakPolarHBondContact O-CB 3.23Å; P43-A47 PolarHBondContact O-N 2.7Å; Q45-A47 VanDerWaalsContact C-N 3.29Å; Q45-A47 PolarHBondContact O-N 2.86Å; A47-P51 VanDerWaalsContact O-CD 3.27Å; A47-P51 WeakPolarHBondContact O-CD 3.31Å; A47-P51 WeakPolarHBondContact O-CG 3.49Å; A47-I391 HydrophobicContact CB-CD1 4.17Å; A47-I391 HydrophobicContact CB-CG2 3.73Å; A47-I391 VanDerWaalsContact O-CD1 3.22Å; A47-I391 WeakPolarHBondContact O-CD1 3.43Å
48	A	96	Very high	91.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-94.2	-30.2	-169.8	0	0	0	0	0	114.4	I44 Q45 P51 A52 V59 A72 F338 I391	I44-A48 WeakPolarHBondContact O-CB 3.4Å; I44-A48 PolarHBondContact O-N 3.26Å; Q45-A48 PolarHBondContact O-N 3.28Å; A48-P51 WeakPolarHBondContact O-CD 3.43Å; A48-P51 WeakPolarHBondContact O-CG 3.44Å; A48-A52 VanDerWaalsContact O-CB 3.22Å; A48-A52 WeakPolarHBondContact O-CB 3.46Å; A48-A52 PolarHBondContact O-N 3Å; A48-V59 HydrophobicContact CB-CG1 4.23Å; A48-A72 HydrophobicContact CB-CB 4.36Å; A48-F338 HydrophobicContact CB-CE1 4.13Å; A48-F338 HydrophobicContact CB-CZ 3.88Å; A48-I391 VanDerWaalsContact CA-CD1 3.43Å; A48-I391 HydrophobicContact CB-CD1 3.74Å
49	I	96.6	Very high	92.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-50.7	-176.6	-68.5	169.6	0	0	0	111.4	W20 L23 L25 Q45 A52 L53 I75	W20-I49 HydrophobicContact CZ3-CD1 4.09Å; L23-I49 HydrophobicContact CD1-CD1 4.01Å; L25-I49 HydrophobicContact CD2-CG2 3.94Å; Q45-I49 HydrophobicContact CB-CD1 3.74Å; Q45-I49 HydrophobicContact CB-CG1 4.48Å; Q45-I49 HydrophobicContact CG-CD1 4.32Å; Q45-I49 VanDerWaalsContact O-CB 3.23Å; Q45-I49 WeakPolarHBondContact O-CB 3.48Å; Q45-I49 WeakPolarHBondContact O-CD1 3.46Å; Q45-I49 WeakPolarHBondContact O-CG1 3.46Å; Q45-I49 PolarHBondContact O-N 3.09Å; I49-A52 PolarHBondContact O-N 3.13Å; I49-L53 HydrophobicContact CG2-CB 4.16Å; I49-L53 HydrophobicContact CG2-CD2 4.08Å; I49-L53 WeakPolarHBondContact O-CB 3.37Å; I49-L53 PolarHBondContact O-N 3.09Å; I49-I75 HydrophobicContact CD1-CB 4.48Å; I49-I75 HydrophobicContact CD1-CD1 3.81Å; I49-I75 HydrophobicContact CG2-CG2 4.4Å
50	P	95.5	Very high	92.9	Very high	44 Å²	44	35 Å²	35	29%	0.286	21%	0.213	S	C	.	.	H	α-helix	trans	-57.3	-49.9	-177.8	-24.3	34.2	0	0	0	115.1	L23 T46 A52 H54 G55	L23-P50 HydrophobicContact CD2-CG 3.84Å; T46-P50 WeakPolarHBondContact O-CD 3.5Å; T46-P50 WeakPolarHBondContact O-CG 3.37Å; P50-A52 VanDerWaalsContact C-N 3.31Å; P50-A52 PolarHBondContact O-N 3.41Å; P50-H54 WeakPolarHBondContact O-CB 3.4Å; P50-H54 PolarHBondContact O-N 3.42Å; P50-G55 PolarHBondContact O-N 3.25Å
51	P	94.5	Very high	93.2	Very high	27 Å²	27	30 Å²	30	18%	0.175	19%	0.186	C	C	.	.	H	α-helix	trans	-67.5	-30.6	178.4	26.1	-33.8	0	0	0	112.9	A47 A48 G55 F56 S57 V59 K389 I391	A47-P51 VanDerWaalsContact O-CD 3.27Å; A47-P51 WeakPolarHBondContact O-CD 3.31Å; A47-P51 WeakPolarHBondContact O-CG 3.49Å; A48-P51 WeakPolarHBondContact O-CD 3.43Å; A48-P51 WeakPolarHBondContact O-CG 3.44Å; P51-G55 CarbonylContact O-C 3.32Å; P51-G55 VanDerWaalsContact O-C 3.31Å; P51-G55 VanDerWaalsContact O-CA 3.29Å; P51-G55 WeakPolarHBondContact O-CA 3.48Å; P51-G55 PolarHBondContact O-N 3.06Å; P51-F56 PolarHBondContact O-N 3.01Å; P51-S57 WeakPolarHBondContact O-CB 3.34Å; P51-S57 PolarHBondContact O-N 3.49Å; P51-V59 HydrophobicContact CB-CG2 4.46Å; P51-V59 HydrophobicContact CG-CG2 4.31Å; P51-K389 HydrophobicContact CB-CB 4.38Å; P51-K389 HydrophobicContact CB-CG 4.28Å; P51-K389 HydrophobicContact CG-CG 4.29Å; P51-I391 HydrophobicContact CG-CD1 4.41Å
52	A	95.6	Very high	93.2	Very high	2 Å²	2	29 Å²	29	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-77.3	-46.1	178.1	0	0	0	0	0	112.6	A48 I49 P50 V59 P76 Q334 L336	A48-A52 VanDerWaalsContact O-CB 3.22Å; A48-A52 WeakPolarHBondContact O-CB 3.46Å; A48-A52 PolarHBondContact O-N 3Å; I49-A52 PolarHBondContact O-N 3.13Å; P50-A52 VanDerWaalsContact C-N 3.31Å; P50-A52 PolarHBondContact O-N 3.41Å; A52-V59 HydrophobicContact CB-CG2 3.92Å; A52-P76 HydrophobicContact CB-CB 3.71Å; A52-P76 HydrophobicContact CB-CG 3.54Å; A52-Q334 PolarHBondContact O-NE2 3.49Å; A52-L336 HydrophobicContact CB-CD2 3.92Å
53	L	94.8	Very high	93.1	Very high	20 Å²	20	27.1 Å²	27.1	11%	0.105	17%	0.167	C	C	.	.	H	α-helix	trans	-79.6	-50.3	-173.9	-178.7	62.5	0	0	0	111.9	L25 I49 F56 P76	L25-L53 HydrophobicContact CD2-CD2 3.59Å; I49-L53 HydrophobicContact CG2-CB 4.16Å; I49-L53 HydrophobicContact CG2-CD2 4.08Å; I49-L53 WeakPolarHBondContact O-CB 3.37Å; I49-L53 PolarHBondContact O-N 3.09Å; L53-F56 WeakPolarHBondContact O-CE1 3.28Å; L53-P76 HydrophobicContact CB-CB 4.41Å; L53-P76 HydrophobicContact CB-CG 4.33Å
54	H	92.4	Very high	92.7	Very high	87 Å²	87	23.7 Å²	23.7	40%	0.403	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-39.2	-175.3	-53.8	148.3	0	0	0	112	L23 P50 F56	L23-H54 PolarHBondContact O-CE1 3.22Å; P50-H54 WeakPolarHBondContact O-CB 3.4Å; P50-H54 PolarHBondContact O-N 3.42Å; H54-F56 VanDerWaalsContact C-N 3.32Å; H54-F56 WeakPolarHBondContact O-CD2 3.35Å; H54-F56 PolarHBondContact O-N 3.37Å
55	G	88	Confident	92.1	Very high	43 Å²	43	23.8 Å²	23.8	44%	0.443	15%	0.146	S	C	.	.	S	Bend	trans	-81.5	-7.8	-178.9	0	0	0	0	0	114.7	P50 P51 S57	P50-G55 PolarHBondContact O-N 3.25Å; P51-G55 CarbonylContact O-C 3.32Å; P51-G55 VanDerWaalsContact O-C 3.31Å; P51-G55 VanDerWaalsContact O-CA 3.29Å; P51-G55 WeakPolarHBondContact O-CA 3.48Å; P51-G55 PolarHBondContact O-N 3.06Å; G55-S57 PolarHBondContact O-N 2.88Å; G55-S57 PolarHBondContact O-OG 3.27Å; G55-S57 VanDerWaalsContact O-OG 3.09Å
56	F	90.8	Very high	91.2	Very high	95 Å²	95	25.2 Å²	25.2	42%	0.417	16%	0.163	S	C	.	.			trans	44	28.8	-172.5	-57.2	-72.1	0	0	0	113.7	P51 L53 H54 K80	P51-F56 PolarHBondContact O-N 3.01Å; L53-F56 WeakPolarHBondContact O-CE1 3.28Å; H54-F56 VanDerWaalsContact C-N 3.32Å; H54-F56 WeakPolarHBondContact O-CD2 3.35Å; H54-F56 PolarHBondContact O-N 3.37Å; F56-K80 HydrophobicContact CD1-CD 4.08Å; F56-K80 HydrophobicContact CE1-CD 3.77Å
57	S	93.2	Very high	90.6	Very high	37 Å²	37	23.4 Å²	23.4	26%	0.259	15%	0.152	S	C	.	.			trans	-86.4	150.5	-173	-67.3	0	0	0	0	109.8	P51 G55 Q334	P51-S57 WeakPolarHBondContact O-CB 3.34Å; P51-S57 PolarHBondContact O-N 3.49Å; G55-S57 PolarHBondContact O-N 2.88Å; G55-S57 PolarHBondContact O-OG 3.27Å; G55-S57 VanDerWaalsContact O-OG 3.09Å; S57-Q334 PolarHBondContact O-NE2 3.35Å
58	D	95.3	Very high	90.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	15%	0.149	C	C	.	.			trans	-65.4	140.8	165.8	-63.1	-16.6	0	0	0	108.4	Q334 T335 L384 K385 A388 K389	D58-Q334 WeakPolarHBondContact OD1-CA 3.12Å; D58-T335 VanDerWaalsContact CA-O 3.22Å; D58-T335 WeakPolarHBondContact CA-O 3.46Å; D58-T335 WeakPolarHBondContact CB-O 3.4Å; D58-T335 PolarHBondContact OD1-N 2.69Å; D58-L384 HydrophobicContact CB-CD2 4.19Å; D58-K385 IonicContact OD1-NZ 3.42Å; D58-K385 WeakPolarHBondContact OD2-CB 3.35Å; D58-K385 WeakPolarHBondContact OD2-CD 3.26Å; D58-K385 VanDerWaalsContact OD2-CG 3.26Å; D58-K385 WeakPolarHBondContact OD2-CG 3.44Å; D58-K385 PolarHBondContact OD2-N 2.85Å; D58-A388 HydrophobicContact CB-CB 3.7Å; D58-A388 CarbonylContact O-C 3.54Å; D58-A388 WeakPolarHBondContact O-CA 3.46Å; D58-K389 PolarHBondContact O-N 2.78Å
59	V	95.4	Very high	90	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.8	-177.6	177.9	0	0	0	0	109.9	A48 P51 A52 T335 L336 I337 F338 K389 I391	A48-V59 HydrophobicContact CB-CG1 4.23Å; P51-V59 HydrophobicContact CB-CG2 4.46Å; P51-V59 HydrophobicContact CG-CG2 4.31Å; A52-V59 HydrophobicContact CB-CG2 3.92Å; V59-T335 PolarHBondContact N-O 2.76Å; V59-L336 HydrophobicContact CB-CD2 3.78Å; V59-L336 HydrophobicContact CG2-CD2 3.95Å; V59-L336 CarbonylContact O-C 3.57Å; V59-L336 WeakPolarHBondContact O-CA 3.44Å; V59-I337 PolarHBondContact O-N 3.49Å; V59-F338 HydrophobicContact CG1-CZ 4.28Å; V59-K389 WeakPolarHBondContact CA-O 3.44Å; V59-I391 HydrophobicContact CG1-CD1 3.88Å
60	L	93.2	Very high	89.7	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.016	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	103.9	166.3	175.9	63.4	0	0	0	109.1	I337 L342 L375 K389 V390 I391	L60-I337 CarbonylContact C-O 3.52Å; L60-I337 WeakPolarHBondContact CA-O 3.2Å; L60-I337 HydrophobicContact CD1-CB 3.65Å; L60-I337 HydrophobicContact CD1-CG2 3.6Å; L60-L342 HydrophobicContact CD1-CD2 3.6Å; L60-L375 HydrophobicContact CD2-CD2 3.2Å; L60-K389 PolarHBondContact N-O 2.54Å; L60-V390 HydrophobicContact CB-CG2 4.46Å; L60-V390 HydrophobicContact CD2-CG1 4.31Å; L60-V390 HydrophobicContact CD2-CG2 4.39Å; L60-V390 WeakPolarHBondContact O-CA 3.37Å; L60-I391 PolarHBondContact O-N 2.73Å
61	G	92.6	Very high	89.7	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.3	179.4	0	0	0	0	0	112.8	I337 F338 S339 I391	G61-I337 PolarHBondContact N-O 2.89Å; G61-F338 WeakPolarHBondContact O-CA 3.3Å; G61-S339 PolarHBondContact O-N 3.15Å; G61-S339 VanDerWaalsContact O-N 3.13Å; G61-I391 CarbonylContact C-O 3.52Å; G61-I391 WeakPolarHBondContact CA-O 3.42Å
62	S	89.9	Confident	89.7	Confident	1 Å²	1	22 Å²	22	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.5	167.9	-165.2	0	0	0	0	109.6	S339 T343 I391 L393 S394	S62-S339 WeakPolarHBondContact CA-O 3.11Å; S62-T343 VanDerWaalsContact CB-OG1 3.32Å; S62-T343 WeakPolarHBondContact CB-OG1 3.29Å; S62-T343 PolarHBondContact OG-OG1 3.48Å; S62-I391 PolarHBondContact N-O 3.13Å; S62-L393 PolarHBondContact O-N 3.05Å; S62-S394 WeakPolarHBondContact OG-CB 3.47Å; S62-S394 PolarHBondContact OG-OG 2.84Å
63	A	87.2	Confident	89.7	Confident	0 Å²	0	22 Å²	22	0%	0	14%	0.141	C	C	.	.			trans	-154.7	149.2	178.1	0	0	0	0	0	111.3	I44 S67 K69 S339 A340 L393	I44-A63 HydrophobicContact CB-CB 3.88Å; I44-A63 HydrophobicContact CD1-CB 3.94Å; I44-A63 HydrophobicContact CG1-CB 3.74Å; I44-A63 HydrophobicContact CG2-CB 4.45Å; A63-S67 WeakPolarHBondContact CB-OG 3.29Å; A63-K69 HydrophobicContact CB-CD 4.33Å; A63-K69 HydrophobicContact CB-CG 4.33Å; A63-K69 PolarHBondContact O-NZ 3.17Å; A63-S339 PolarHBondContact N-O 3.4Å; A63-A340 VanDerWaalsContact O-CA 3.25Å; A63-A340 WeakPolarHBondContact O-CA 3.48Å; A63-L393 HydrophobicContact CB-CB 4.24Å
64	P	82.4	Confident	89.8	Confident	25 Å²	25	21 Å²	21	16%	0.162	14%	0.136	C	C	.	.			trans	-48.7	157	-178.8	-29.3	36	0	0	0	114.2	S67 K69 T413	P64-S67 VanDerWaalsContact O-CB 3.26Å; P64-S67 WeakPolarHBondContact O-CB 3.42Å; P64-S67 PolarHBondContact O-N 3.07Å; P64-S67 PolarHBondContact O-OG 3.39Å; P64-K69 PolarHBondContact O-NZ 2.76Å; P64-T413 WeakPolarHBondContact CB-O 3.31Å
65	T	78.6	Confident	90	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.031	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	142.5	171.8	51.1	0	0	0	0	110.6	S67 A340 G563	T65-S67 PolarHBondContact O-N 3.46Å; T65-A340 HydrophobicContact CG2-CB 3.91Å; T65-G563 WeakPolarHBondContact OG1-CA 3.36Å; T65-G563 PolarHBondContact OG1-O 2.78Å
66	G	75.6	Confident	90.5	Very high	37 Å²	37	14.9 Å²	14.9	38%	0.381	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	1.4	-178.2	0	0	0	0	0	115.2	G68	G66-G68 PolarHBondContact O-N 3.11Å
67	S	81	Confident	90.8	Very high	25 Å²	25	10.4 Å²	10.4	18%	0.175	8%	0.076	C	C	.	.	S	Bend	trans	-72.4	2.4	175.7	56.9	0	0	0	0	114.8	T42 I44 A63 P64 T65	T42-S67 VanDerWaalsContact CB-O 3.27Å; T42-S67 WeakPolarHBondContact CB-O 3.16Å; T42-S67 WeakPolarHBondContact CG2-O 3.37Å; T42-S67 PolarHBondContact OG1-O 2.97Å; I44-S67 WeakPolarHBondContact CG2-O 3.44Å; A63-S67 WeakPolarHBondContact CB-OG 3.29Å; P64-S67 VanDerWaalsContact O-CB 3.26Å; P64-S67 WeakPolarHBondContact O-CB 3.42Å; P64-S67 PolarHBondContact O-N 3.07Å; P64-S67 PolarHBondContact O-OG 3.39Å; T65-S67 PolarHBondContact O-N 3.46Å
68	G	85.9	Confident	91	Very high	24 Å²	24	8.6 Å²	8.6	25%	0.247	6%	0.064	C	C	.	.			trans	84.6	20.8	179.6	0	0	0	0	0	115.7	Q45 G66 T70 L71 A72	Q45-G68 PolarHBondContact NE2-O 2.61Å; G66-G68 PolarHBondContact O-N 3.11Å; G68-T70 PolarHBondContact O-N 3.05Å; G68-T70 VanDerWaalsContact O-N 3.16Å; G68-L71 PolarHBondContact O-N 3.23Å; G68-A72 PolarHBondContact O-N 3.4Å
69	K	90.8	Very high	91	Very high	15 Å²	15	8.9 Å²	8.9	7%	0.065	7%	0.066	C	C	.	.	H	α-helix	trans	-50.9	-37.1	179	-65	-167.7	-69.1	-80.5	0	114.2	I44 A63 P64 L71 A72 F73 F338	I44-K69 HydrophobicContact CG1-CG 4.39Å; I44-K69 HydrophobicContact CG2-CG 4.48Å; A63-K69 HydrophobicContact CB-CD 4.33Å; A63-K69 HydrophobicContact CB-CG 4.33Å; A63-K69 PolarHBondContact O-NZ 3.17Å; P64-K69 PolarHBondContact O-NZ 2.76Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.05Å; K69-A72 VanDerWaalsContact O-CB 3.3Å; K69-A72 WeakPolarHBondContact O-CB 3.39Å; K69-A72 PolarHBondContact O-N 3Å; K69-F73 WeakPolarHBondContact O-CD1 3.34Å; K69-F73 PolarHBondContact O-N 3.39Å; K69-F338 HydrophobicContact CB-CD1 4.09Å; K69-F338 HydrophobicContact CD-CB 4.25Å; K69-F338 HydrophobicContact CD-CD1 4.16Å; K69-F338 HydrophobicContact CG-CD1 4.17Å
70	T	92.1	Very high	91	Very high	18 Å²	18	11.2 Å²	11.2	11%	0.11	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-41.9	-177.8	-50.2	0	0	0	0	113.1	G68 F73 G74 V195 H198	G68-T70 PolarHBondContact O-N 3.05Å; G68-T70 VanDerWaalsContact O-N 3.16Å; T70-F73 VanDerWaalsContact CA-CE1 3.48Å; T70-F73 HydrophobicContact CG2-CE2 4.32Å; T70-F73 HydrophobicContact CG2-CZ 3.91Å; T70-G74 WeakPolarHBondContact O-CA 3.46Å; T70-G74 PolarHBondContact O-N 3.09Å; T70-V195 HydrophobicContact CG2-CB 4.44Å; T70-V195 HydrophobicContact CG2-CG1 4.41Å; T70-V195 HydrophobicContact CG2-CG2 4Å; T70-H198 HydrophobicContact CG2-CB 3.81Å; T70-H198 VanDerWaalsContact CG2-ND1 3.31Å; T70-H198 WeakPolarHBondContact CG2-ND1 3.48Å
71	L	93.5	Very high	91.1	Very high	23 Å²	23	11 Å²	11	12%	0.12	8%	0.075	C	C	.	.	H	α-helix	trans	-76.6	-29.1	175.8	-59.3	179.5	0	0	0	111.7	L33 L38 G68 K69 F73 G74 I75 L202	L33-L71 HydrophobicContact CD2-CD1 4.14Å; L38-L71 HydrophobicContact CD1-CD1 3.42Å; L38-L71 VanDerWaalsContact CD1-CD1 3.42Å; G68-L71 PolarHBondContact O-N 3.23Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.05Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.77Å; L71-G74 PolarHBondContact O-N 3.15Å; L71-I75 HydrophobicContact CB-CD1 4.29Å; L71-I75 WeakPolarHBondContact O-CB 3.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.36Å; L71-I75 PolarHBondContact O-N 3.06Å; L71-L202 HydrophobicContact CD2-CD1 3.87Å; L71-L202 HydrophobicContact CD2-CD2 4.03Å; L71-L202 HydrophobicContact CD2-CG 4.03Å
72	A	94.9	Very high	91.2	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-60.8	-38.1	178.5	0	0	0	0	0	112.7	I44 Q45 A48 G68 K69 P76 F338	I44-A72 HydrophobicContact CG1-CB 4.42Å; I44-A72 HydrophobicContact CG2-CB 4.46Å; Q45-A72 HydrophobicContact CB-CB 4.46Å; Q45-A72 HydrophobicContact CG-CB 3.83Å; A48-A72 HydrophobicContact CB-CB 4.36Å; G68-A72 PolarHBondContact O-N 3.4Å; K69-A72 VanDerWaalsContact O-CB 3.3Å; K69-A72 WeakPolarHBondContact O-CB 3.39Å; K69-A72 PolarHBondContact O-N 3Å; A72-P76 WeakPolarHBondContact O-CD 3.44Å; A72-P76 WeakPolarHBondContact O-CG 3.19Å; A72-F338 HydrophobicContact CB-CE1 3.9Å; A72-F338 HydrophobicContact CB-CZ 4.18Å
73	F	96.9	Very high	91.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-91.4	-29.5	169.2	65	-109.9	0	0	0	113.5	K69 T70 L71 P76 L77 V184 V195 V262 D264 L336 F338	K69-F73 WeakPolarHBondContact O-CD1 3.34Å; K69-F73 PolarHBondContact O-N 3.39Å; T70-F73 VanDerWaalsContact CA-CE1 3.48Å; T70-F73 HydrophobicContact CG2-CE2 4.32Å; T70-F73 HydrophobicContact CG2-CZ 3.91Å; L71-F73 VanDerWaalsContact C-N 3.32Å; L71-F73 PolarHBondContact O-N 2.77Å; F73-P76 WeakPolarHBondContact O-CD 3.48Å; F73-L77 VanDerWaalsContact O-CB 3.26Å; F73-L77 WeakPolarHBondContact O-CB 3.45Å; F73-L77 PolarHBondContact O-N 3.25Å; F73-L77 VanDerWaalsContact O-N 3.09Å; F73-V184 HydrophobicContact CE2-CG1 4.23Å; F73-V184 HydrophobicContact CZ-CG1 4.49Å; F73-V195 HydrophobicContact CE2-CG1 4.07Å; F73-V195 HydrophobicContact CZ-CG1 4.17Å; F73-V195 HydrophobicContact CZ-CG2 4.22Å; F73-V262 HydrophobicContact CB-CG1 3.91Å; F73-V262 HydrophobicContact CB-CG2 4.4Å; F73-V262 HydrophobicContact CD1-CG1 3.91Å; F73-V262 HydrophobicContact CD2-CB 4.34Å; F73-V262 HydrophobicContact CD2-CG1 3.51Å; F73-V262 HydrophobicContact CD2-CG2 4.13Å; F73-V262 HydrophobicContact CE1-CG1 4.22Å; F73-V262 HydrophobicContact CE2-CG1 3.89Å; F73-V262 HydrophobicContact CG-CG1 3.52Å; F73-V262 HydrophobicContact CZ-CG1 4.21Å; F73-D264 HydrophobicContact CE1-CB 3.84Å; F73-D264 HydrophobicContact CZ-CB 4.15Å; F73-L336 HydrophobicContact CB-CB 4.48Å; F73-L336 HydrophobicContact CB-CD1 4.17Å; F73-F338 HydrophobicContact CB-CD2 3.81Å; F73-F338 HydrophobicContact CB-CE2 3.54Å; F73-F338 HydrophobicContact CB-CZ 4.19Å; F73-F338 HydrophobicContact CD1-CB 4.34Å; F73-F338 AromaticContact CD1-CD2 3.84Å; F73-F338 HydrophobicContact CD1-CD2 3.84Å; F73-F338 HydrophobicContact CD1-CE2 4.35Å; F73-F338 HydrophobicContact CD1-CG 4.04Å; F73-F338 HydrophobicContact CG-CD2 4.29Å; F73-F338 HydrophobicContact CG-CE2 4.46Å
74	G	96.8	Very high	91.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.1	-41.8	-173.2	0	0	0	0	0	112.6	T70 L71 L77 V78	T70-G74 WeakPolarHBondContact O-CA 3.46Å; T70-G74 PolarHBondContact O-N 3.09Å; L71-G74 PolarHBondContact O-N 3.15Å; G74-L77 WeakPolarHBondContact O-CB 3.47Å; G74-L77 PolarHBondContact O-N 3.43Å; G74-V78 WeakPolarHBondContact O-CG1 3.27Å; G74-V78 WeakPolarHBondContact O-CG2 3.14Å; G74-V78 PolarHBondContact O-N 3.18Å
75	I	96.8	Very high	92	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.7	-52.9	179.5	-69.9	166.3	0	0	0	111.5	W20 L25 I29 L33 I49 L71 L77 V78 S79 L202	W20-I75 HydrophobicContact CH2-CD1 4.18Å; W20-I75 HydrophobicContact CZ3-CD1 3.7Å; L25-I75 HydrophobicContact CD1-CD1 4.21Å; L25-I75 HydrophobicContact CD1-CG2 4.33Å; L25-I75 HydrophobicContact CD2-CG2 3.72Å; I29-I75 HydrophobicContact CD1-CG2 4.11Å; I29-I75 HydrophobicContact CG2-CD1 4.45Å; I29-I75 HydrophobicContact CG2-CG1 4.13Å; I29-I75 HydrophobicContact CG2-CG2 4.41Å; L33-I75 HydrophobicContact CD1-CD1 4.22Å; I49-I75 HydrophobicContact CD1-CB 4.48Å; I49-I75 HydrophobicContact CD1-CD1 3.81Å; I49-I75 HydrophobicContact CG2-CG2 4.4Å; L71-I75 HydrophobicContact CB-CD1 4.29Å; L71-I75 WeakPolarHBondContact O-CB 3.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.36Å; L71-I75 PolarHBondContact O-N 3.06Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.15Å; I75-V78 PolarHBondContact O-N 3.26Å; I75-S79 VanDerWaalsContact O-CB 3.27Å; I75-S79 WeakPolarHBondContact O-CB 3.24Å; I75-S79 PolarHBondContact O-N 3.46Å; I75-S79 PolarHBondContact O-OG 3.3Å; I75-L202 HydrophobicContact CG1-CD1 4Å; I75-L202 HydrophobicContact CG1-CD2 4.15Å
76	P	97.4	Very high	92.5	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.013	12%	0.122	C	C	.	.	H	α-helix	trans	-57.2	-42.8	173.4	-25.3	31.8	0	0	0	113.4	A52 L53 A72 F73 K80 L336	A52-P76 HydrophobicContact CB-CB 3.71Å; A52-P76 HydrophobicContact CB-CG 3.54Å; L53-P76 HydrophobicContact CB-CB 4.41Å; L53-P76 HydrophobicContact CB-CG 4.33Å; A72-P76 WeakPolarHBondContact O-CD 3.44Å; A72-P76 WeakPolarHBondContact O-CG 3.19Å; F73-P76 WeakPolarHBondContact O-CD 3.48Å; P76-K80 WeakPolarHBondContact O-CB 3.25Å; P76-K80 PolarHBondContact O-N 2.98Å; P76-L336 HydrophobicContact CB-CD1 4.31Å
77	L	97.6	Very high	93.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.2	-56.9	179.2	170.9	65.9	0	0	0	111.6	F73 G74 I75 S79 K80 V81 V184 L199 I233 V260 V262	F73-L77 VanDerWaalsContact O-CB 3.26Å; F73-L77 WeakPolarHBondContact O-CB 3.45Å; F73-L77 PolarHBondContact O-N 3.25Å; F73-L77 VanDerWaalsContact O-N 3.09Å; G74-L77 WeakPolarHBondContact O-CB 3.47Å; G74-L77 PolarHBondContact O-N 3.43Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.15Å; L77-S79 VanDerWaalsContact C-N 3.34Å; L77-S79 PolarHBondContact O-N 3.22Å; L77-K80 PolarHBondContact O-N 3.35Å; L77-V81 HydrophobicContact CD1-CG2 4.28Å; L77-V81 VanDerWaalsContact O-CG2 3.26Å; L77-V81 WeakPolarHBondContact O-CG2 3Å; L77-V81 PolarHBondContact O-N 3.37Å; L77-V81 VanDerWaalsContact O-N 3.09Å; L77-V184 HydrophobicContact CD2-CG2 3.38Å; L77-L199 HydrophobicContact CD2-CD1 4.01Å; L77-L199 HydrophobicContact CD2-CD2 4.18Å; L77-I233 HydrophobicContact CD2-CG2 4.12Å; L77-I233 HydrophobicContact CG-CD1 4.44Å; L77-V260 HydrophobicContact CB-CG1 4.46Å; L77-V260 HydrophobicContact CD1-CB 3.68Å; L77-V260 HydrophobicContact CD1-CG1 3.64Å; L77-V260 HydrophobicContact CD1-CG2 4.47Å; L77-V262 HydrophobicContact CB-CG2 4.49Å; L77-V262 HydrophobicContact CD1-CG2 4.45Å; L77-V262 HydrophobicContact CD2-CG2 4.15Å
78	V	97	Very high	93.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.6	-35.8	-175.7	-59.1	0	0	0	0	111.8	I29 G74 I75 V81 F82 L199 L202 M203 I233	I29-V78 HydrophobicContact CD1-CG2 3.87Å; G74-V78 WeakPolarHBondContact O-CG1 3.27Å; G74-V78 WeakPolarHBondContact O-CG2 3.14Å; G74-V78 PolarHBondContact O-N 3.18Å; I75-V78 PolarHBondContact O-N 3.26Å; V78-V81 PolarHBondContact O-N 3.43Å; V78-F82 WeakPolarHBondContact O-CB 3.13Å; V78-F82 PolarHBondContact O-N 3Å; V78-L199 HydrophobicContact CG1-CB 4.49Å; V78-L199 HydrophobicContact CG1-CD2 3.91Å; V78-L202 HydrophobicContact CG2-CB 4.38Å; V78-L202 HydrophobicContact CG2-CD1 4.34Å; V78-M203 HydrophobicContact CB-CG 4.12Å; V78-M203 HydrophobicContact CB-SD 3.59Å; V78-M203 VanDerWaalsContact CB-SD 3.59Å; V78-M203 HydrophobicContact CG1-CG 3.99Å; V78-M203 HydrophobicContact CG1-SD 4.14Å; V78-M203 HydrophobicContact CG2-SD 3.86Å; V78-I233 HydrophobicContact CG1-CD1 3.95Å
79	S	96.3	Very high	93	Very high	7 Å²	7	25 Å²	25	5%	0.049	14%	0.137	C	C	.	.	H	α-helix	trans	-62.4	-45.8	176.3	-57.7	0	0	0	0	111.6	I29 I75 L77 F82 S83	I29-S79 WeakPolarHBondContact CD1-OG 3.38Å; I75-S79 VanDerWaalsContact O-CB 3.27Å; I75-S79 WeakPolarHBondContact O-CB 3.24Å; I75-S79 PolarHBondContact O-N 3.46Å; I75-S79 PolarHBondContact O-OG 3.3Å; L77-S79 VanDerWaalsContact C-N 3.34Å; L77-S79 PolarHBondContact O-N 3.22Å; S79-F82 WeakPolarHBondContact O-CB 3.47Å; S79-F82 PolarHBondContact O-N 3.04Å; S79-S83 PolarHBondContact O-N 2.87Å; S79-S83 PolarHBondContact O-OG 3.37Å
80	K	95.1	Very high	92.4	Very high	49 Å²	49	29.2 Å²	29.2	21%	0.213	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-44.5	179.1	-173.5	62.8	170.9	-172.8	0	111.5	F56 P76 L77 F82 S83 L84 V260	F56-K80 HydrophobicContact CD1-CD 4.08Å; F56-K80 HydrophobicContact CE1-CD 3.77Å; P76-K80 WeakPolarHBondContact O-CB 3.25Å; P76-K80 PolarHBondContact O-N 2.98Å; L77-K80 PolarHBondContact O-N 3.35Å; K80-F82 VanDerWaalsContact C-N 3.32Å; K80-S83 PolarHBondContact O-N 2.98Å; K80-L84 HydrophobicContact CD-CD1 4.41Å; K80-L84 HydrophobicContact CG-CD1 4.02Å; K80-L84 WeakPolarHBondContact O-CB 3.45Å; K80-L84 VanDerWaalsContact O-CG 3.24Å; K80-L84 WeakPolarHBondContact O-CG 3.35Å; K80-L84 PolarHBondContact O-N 2.96Å; K80-V260 HydrophobicContact CB-CG2 3.97Å; K80-V260 HydrophobicContact CG-CG2 3.72Å
81	V	95	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.9	-40.9	177.9	173.4	0	0	0	0	110.8	L77 V78 L84 K85 Y181 I209 D232 I233	L77-V81 HydrophobicContact CD1-CG2 4.28Å; L77-V81 VanDerWaalsContact O-CG2 3.26Å; L77-V81 WeakPolarHBondContact O-CG2 3Å; L77-V81 PolarHBondContact O-N 3.37Å; L77-V81 VanDerWaalsContact O-N 3.09Å; V78-V81 PolarHBondContact O-N 3.43Å; V81-L84 PolarHBondContact O-N 3.4Å; V81-K85 WeakPolarHBondContact O-CB 3.41Å; V81-K85 PolarHBondContact O-N 3.45Å; V81-Y181 HydrophobicContact CG1-CD2 4.4Å; V81-Y181 HydrophobicContact CG1-CG 4.31Å; V81-I209 HydrophobicContact CG1-CD1 4.42Å; V81-I209 HydrophobicContact CG1-CG2 4.37Å; V81-D232 HydrophobicContact CG1-CB 4.36Å; V81-I233 HydrophobicContact CB-CD1 4.16Å; V81-I233 HydrophobicContact CB-CG1 4.3Å; V81-I233 HydrophobicContact CG1-CD1 4.14Å; V81-I233 HydrophobicContact CG1-CG1 3.91Å; V81-I233 HydrophobicContact CG2-CD1 4.13Å; V81-I233 HydrophobicContact CG2-CG1 4.03Å
82	F	95	Very high	90.1	Very high	50 Å²	50	31.9 Å²	31.9	22%	0.219	18%	0.175	C	C	.	.	H	α-helix	trans	-56.3	-55.4	173.7	179.4	-90.1	0	0	0	112	Y28 V78 S79 K80 L84 K85 T86 M203 V206 Y208 I209	Y28-F82 HydrophobicContact CD1-CZ 4.45Å; Y28-F82 AromaticContact CE1-CD1 3.95Å; Y28-F82 HydrophobicContact CE1-CD1 3.95Å; Y28-F82 HydrophobicContact CE1-CD2 4.19Å; Y28-F82 HydrophobicContact CE1-CE1 4Å; Y28-F82 HydrophobicContact CE1-CE2 4.21Å; Y28-F82 HydrophobicContact CE1-CG 4.05Å; Y28-F82 HydrophobicContact CE1-CZ 4.14Å; Y28-F82 AromaticContact CZ-CG 3.94Å; Y28-F82 WeakPolarHBondContact OH-CB 3.29Å; V78-F82 WeakPolarHBondContact O-CB 3.13Å; V78-F82 PolarHBondContact O-N 3Å; S79-F82 WeakPolarHBondContact O-CB 3.47Å; S79-F82 PolarHBondContact O-N 3.04Å; K80-F82 VanDerWaalsContact C-N 3.32Å; F82-L84 PolarHBondContact O-N 3.01Å; F82-K85 PolarHBondContact O-N 3.19Å; F82-T86 WeakPolarHBondContact O-CB 3.36Å; F82-T86 PolarHBondContact O-N 2.79Å; F82-T86 PolarHBondContact O-OG1 3.42Å; F82-M203 HydrophobicContact CD2-CE 4.36Å; F82-V206 HydrophobicContact CD2-CG1 3.88Å; F82-V206 HydrophobicContact CD2-CG2 4.03Å; F82-V206 HydrophobicContact CE2-CG1 3.92Å; F82-V206 HydrophobicContact CE2-CG2 3.74Å; F82-Y208 VanDerWaalsContact CD2-OH 3.31Å; F82-Y208 WeakPolarHBondContact CD2-OH 3.41Å; F82-Y208 HydrophobicContact CE2-CE1 4.22Å; F82-Y208 AromaticContact CE2-CZ 3.77Å; F82-Y208 WeakPolarHBondContact CE2-OH 3.33Å; F82-Y208 WeakPolarHBondContact CZ-OH 3.41Å; F82-I209 HydrophobicContact CB-CD1 3.9Å; F82-I209 HydrophobicContact CD2-CD1 3.93Å; F82-I209 HydrophobicContact CG-CD1 4.39Å
83	S	93.5	Very high	88.6	Confident	61 Å²	61	37.1 Å²	37.1	43%	0.427	20%	0.199	S	C	.	.	H	α-helix	trans	-59.3	-46	179.9	-56.3	0	0	0	0	111.9	S79 K80 K85 T86 L87	S79-S83 PolarHBondContact O-N 2.87Å; S79-S83 PolarHBondContact O-OG 3.37Å; K80-S83 PolarHBondContact O-N 2.98Å; S83-K85 PolarHBondContact O-N 2.92Å; S83-T86 PolarHBondContact O-N 2.97Å; S83-L87 WeakPolarHBondContact O-CB 3.21Å; S83-L87 WeakPolarHBondContact O-CD1 3.04Å; S83-L87 PolarHBondContact O-N 2.82Å
84	L	92	Very high	86.8	Confident	39 Å²	39	42.7 Å²	42.7	20%	0.204	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-42.7	-179.6	-72.2	170.2	0	0	0	112.5	K80 V81 F82 Q88 Y181 N259	K80-L84 HydrophobicContact CD-CD1 4.41Å; K80-L84 HydrophobicContact CG-CD1 4.02Å; K80-L84 WeakPolarHBondContact O-CB 3.45Å; K80-L84 VanDerWaalsContact O-CG 3.24Å; K80-L84 WeakPolarHBondContact O-CG 3.35Å; K80-L84 PolarHBondContact O-N 2.96Å; V81-L84 PolarHBondContact O-N 3.4Å; F82-L84 PolarHBondContact O-N 3.01Å; L84-Q88 WeakPolarHBondContact O-CB 3.41Å; L84-Q88 PolarHBondContact O-N 2.82Å; L84-Y181 HydrophobicContact CB-CD1 4.01Å; L84-Y181 HydrophobicContact CB-CE1 4.25Å; L84-Y181 HydrophobicContact CD1-CD1 4.27Å; L84-N259 HydrophobicContact CD1-CB 3.64Å
85	K	89.5	Confident	85	Confident	31 Å²	31	48 Å²	48	14%	0.135	25%	0.25	C	C	.	.	H	α-helix	trans	-71.2	-38	-179.4	-168.5	167.2	-176.3	172	0	111.8	V81 F82 S83 Q88 S89 Y208 I209 D232	V81-K85 WeakPolarHBondContact O-CB 3.41Å; V81-K85 PolarHBondContact O-N 3.45Å; F82-K85 PolarHBondContact O-N 3.19Å; S83-K85 PolarHBondContact O-N 2.92Å; K85-Q88 PolarHBondContact O-N 3.03Å; K85-S89 PolarHBondContact O-N 3.06Å; K85-S89 PolarHBondContact O-OG 2.89Å; K85-Y208 HydrophobicContact CB-CE2 4.43Å; K85-Y208 HydrophobicContact CD-CD2 3.87Å; K85-Y208 HydrophobicContact CD-CE2 4.15Å; K85-Y208 HydrophobicContact CG-CD2 4.26Å; K85-Y208 HydrophobicContact CG-CE2 4.18Å; K85-Y208 PolarHBondContact NZ-O 3.43Å; K85-I209 HydrophobicContact CD-CG1 4.01Å; K85-D232 WeakPolarHBondContact CE-OD1 2.88Å; K85-D232 IonicContact NZ-OD1 2.76Å; K85-D232 PolarHBondContact NZ-OD1 3.31Å; K85-D232 IonicContact NZ-OD2 2.78Å; K85-D232 PolarHBondContact NZ-OD2 3.22Å
86	T	89.9	Confident	83.1	Confident	30 Å²	30	51.1 Å²	51.1	18%	0.184	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-44.7	175	-60.1	0	0	0	0	111.7	F82 S83 Q88 S89 Q90 Y208	F82-T86 WeakPolarHBondContact O-CB 3.36Å; F82-T86 PolarHBondContact O-N 2.79Å; F82-T86 PolarHBondContact O-OG1 3.42Å; S83-T86 PolarHBondContact O-N 2.97Å; T86-Q88 VanDerWaalsContact C-N 3.3Å; T86-Q88 PolarHBondContact O-N 2.85Å; T86-S89 WeakPolarHBondContact CA-OG 3.46Å; T86-S89 PolarHBondContact O-N 2.72Å; T86-S89 PolarHBondContact O-OG 3.34Å; T86-Q90 WeakPolarHBondContact O-CG 3.26Å; T86-Q90 PolarHBondContact O-N 3.06Å; T86-Q90 VanDerWaalsContact O-N 3.09Å; T86-Y208 PolarHBondContact OG1-OH 3.01Å
87	L	88.3	Confident	81.5	Confident	102 Å²	102	57 Å²	57	53%	0.534	30%	0.297	S	S	.	.	H	α-helix	trans	-58.8	-44.8	174.4	-96.3	72.8	0	0	0	110.8	S83 S89 Q90 T91	S83-L87 WeakPolarHBondContact O-CB 3.21Å; S83-L87 WeakPolarHBondContact O-CD1 3.04Å; S83-L87 PolarHBondContact O-N 2.82Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.1Å; L87-Q90 PolarHBondContact O-N 3.48Å; L87-Q90 VanDerWaalsContact O-N 3.13Å; L87-T91 WeakPolarHBondContact O-CG2 3.34Å; L87-T91 PolarHBondContact O-N 3.48Å; L87-T91 PolarHBondContact O-OG1 2.74Å
88	Q	83.8	Confident	79.4	Confident	42 Å²	42	61.6 Å²	61.6	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-34.3	179.8	-170.2	170.8	-3.1	0	0	113.1	L84 K85 T86 Q90 T91 C92 N176 Y181	L84-Q88 WeakPolarHBondContact O-CB 3.41Å; L84-Q88 PolarHBondContact O-N 2.82Å; K85-Q88 PolarHBondContact O-N 3.03Å; T86-Q88 VanDerWaalsContact C-N 3.3Å; T86-Q88 PolarHBondContact O-N 2.85Å; Q88-Q90 VanDerWaalsContact C-N 3.35Å; Q88-T91 PolarHBondContact O-OG1 3.17Å; Q88-T91 VanDerWaalsContact O-OG1 3.08Å; Q88-C92 WeakPolarHBondContact O-CB 3.36Å; Q88-C92 PolarHBondContact O-N 3.21Å; Q88-C92 PolarHBondContact O-SG 2.77Å; Q88-N176 PolarHBondContact NE2-O 3.1Å; Q88-Y181 PolarHBondContact OE1-OH 3.34Å
89	S	80.6	Confident	77.3	Confident	56 Å²	56	65.7 Å²	65.7	39%	0.392	34%	0.343	S	S	.	.	H	α-helix	trans	-65.9	-37.8	171.9	45	0	0	0	0	112.5	K85 T86 L87 C92 E93	K85-S89 PolarHBondContact O-N 3.06Å; K85-S89 PolarHBondContact O-OG 2.89Å; T86-S89 WeakPolarHBondContact CA-OG 3.46Å; T86-S89 PolarHBondContact O-N 2.72Å; T86-S89 PolarHBondContact O-OG 3.34Å; L87-S89 VanDerWaalsContact C-N 3.33Å; L87-S89 PolarHBondContact O-N 3.1Å; S89-C92 PolarHBondContact O-N 2.91Å; S89-E93 PolarHBondContact O-N 3.18Å
90	Q	78.6	Confident	75.3	Confident	102 Å²	102	67.6 Å²	67.6	48%	0.477	36%	0.356	S	S	.	.	H	α-helix	trans	-69.9	-46.1	179.7	-71	171.2	-10.5	0	0	112	T86 L87 Q88 C92 E93 E94	T86-Q90 WeakPolarHBondContact O-CG 3.26Å; T86-Q90 PolarHBondContact O-N 3.06Å; T86-Q90 VanDerWaalsContact O-N 3.09Å; L87-Q90 PolarHBondContact O-N 3.48Å; L87-Q90 VanDerWaalsContact O-N 3.13Å; Q88-Q90 VanDerWaalsContact C-N 3.35Å; Q90-C92 PolarHBondContact O-N 3.24Å; Q90-E93 WeakPolarHBondContact O-CB 3.33Å; Q90-E93 PolarHBondContact O-N 3.01Å; Q90-E94 PolarHBondContact O-N 2.97Å
91	T	75	Confident	73.4	Confident	63 Å²	63	69.3 Å²	69.3	39%	0.387	37%	0.37	S	S	.	.	H	α-helix	trans	-60.1	-35.8	176	57.3	0	0	0	0	111.3	L87 Q88 E94 E95	L87-T91 WeakPolarHBondContact O-CG2 3.34Å; L87-T91 PolarHBondContact O-N 3.48Å; L87-T91 PolarHBondContact O-OG1 2.74Å; Q88-T91 PolarHBondContact O-OG1 3.17Å; Q88-T91 VanDerWaalsContact O-OG1 3.08Å; T91-E94 PolarHBondContact O-N 3.08Å; T91-E95 WeakPolarHBondContact O-CB 3.23Å; T91-E95 WeakPolarHBondContact O-CG 3.41Å; T91-E95 PolarHBondContact O-N 3.41Å
92	C	61.7	Low	71.1	Confident	35 Å²	35	73.8 Å²	73.8	24%	0.236	39%	0.393	C	S	.	.	H	α-helix	trans	-71.4	-33.6	174.9	-71	0	0	0	0	113.3	Q88 S89 Q90 E94 S96	Q88-C92 WeakPolarHBondContact O-CB 3.36Å; Q88-C92 PolarHBondContact O-N 3.21Å; Q88-C92 PolarHBondContact O-SG 2.77Å; S89-C92 PolarHBondContact O-N 2.91Å; Q90-C92 PolarHBondContact O-N 3.24Å; C92-E94 VanDerWaalsContact C-N 3.31Å; C92-S96 WeakPolarHBondContact O-CB 3.38Å; C92-S96 PolarHBondContact O-N 3.34Å; C92-S96 PolarHBondContact O-OG 3.03Å
93	E	63.8	Low	68.5	Low	110 Å²	110	76.1 Å²	76.1	51%	0.514	41%	0.408	S	S	.	.	H	α-helix	trans	-65.2	-37.7	171.2	-76.7	-177.5	-166.5	0	0	111.2	S89 Q90 S96 K97	S89-E93 PolarHBondContact O-N 3.18Å; Q90-E93 WeakPolarHBondContact O-CB 3.33Å; Q90-E93 PolarHBondContact O-N 3.01Å; E93-S96 WeakPolarHBondContact CA-OG 3.34Å; E93-S96 PolarHBondContact O-OG 3.36Å; E93-S96 VanDerWaalsContact O-OG 3.14Å; E93-K97 VanDerWaalsContact O-CB 3.3Å; E93-K97 WeakPolarHBondContact O-CB 3.36Å; E93-K97 WeakPolarHBondContact O-CD 3.49Å; E93-K97 WeakPolarHBondContact O-CG 3.4Å; E93-K97 PolarHBondContact O-N 3.33Å
94	E	59.6	Low	65.8	Low	117 Å²	117	80.1 Å²	80.1	55%	0.547	42%	0.42	S	S	.	.	H	α-helix	trans	-69.5	-46.9	174.1	-70.2	175.8	175.9	0	0	112	Q90 T91 C92 S96 K97 I98	Q90-E94 PolarHBondContact O-N 2.97Å; T91-E94 PolarHBondContact O-N 3.08Å; C92-E94 VanDerWaalsContact C-N 3.31Å; E94-S96 PolarHBondContact O-N 2.91Å; E94-K97 WeakPolarHBondContact O-CB 3.18Å; E94-K97 PolarHBondContact O-N 3.31Å; E94-I98 WeakPolarHBondContact O-CB 3.24Å; E94-I98 VanDerWaalsContact O-CG1 3.23Å; E94-I98 WeakPolarHBondContact O-CG1 3.4Å; E94-I98 PolarHBondContact O-N 2.86Å
95	E	57.7	Low	63.1	Low	112 Å²	112	86.4 Å²	86.4	52%	0.523	45%	0.448	S	S	.	.	H	α-helix	trans	-62.8	-39.5	175.4	-77.1	176.5	178.3	0	0	112	T91 I98 N99	T91-E95 WeakPolarHBondContact O-CB 3.23Å; T91-E95 WeakPolarHBondContact O-CG 3.41Å; T91-E95 PolarHBondContact O-N 3.41Å; E95-I98 PolarHBondContact O-N 3.42Å; E95-N99 VanDerWaalsContact O-CB 3.22Å; E95-N99 WeakPolarHBondContact O-CB 3.25Å; E95-N99 PolarHBondContact O-N 2.9Å; E95-N99 PolarHBondContact O-ND2 3.39Å
96	S	57.9	Low	60.6	Low	66 Å²	66	92.9 Å²	92.9	46%	0.462	48%	0.476	S	S	.	.	H	α-helix	trans	-71.9	-32.6	175.3	57.7	0	0	0	0	112.2	C92 E93 E94 S100	C92-S96 WeakPolarHBondContact O-CB 3.38Å; C92-S96 PolarHBondContact O-N 3.34Å; C92-S96 PolarHBondContact O-OG 3.03Å; E93-S96 WeakPolarHBondContact CA-OG 3.34Å; E93-S96 PolarHBondContact O-OG 3.36Å; E93-S96 VanDerWaalsContact O-OG 3.14Å; E94-S96 PolarHBondContact O-N 2.91Å; S96-S100 WeakPolarHBondContact O-CB 3.38Å; S96-S100 PolarHBondContact O-N 3.3Å; S96-S100 PolarHBondContact O-OG 3.38Å
97	K	62.9	Low	57.6	Low	124 Å²	124	100.5 Å²	100.5	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-47.3	168.2	-77.4	166.7	-171	168.8	0	110.7	E93 E94 S100 V101	E93-K97 VanDerWaalsContact O-CB 3.3Å; E93-K97 WeakPolarHBondContact O-CB 3.36Å; E93-K97 WeakPolarHBondContact O-CD 3.49Å; E93-K97 WeakPolarHBondContact O-CG 3.4Å; E93-K97 PolarHBondContact O-N 3.33Å; E94-K97 WeakPolarHBondContact O-CB 3.18Å; E94-K97 PolarHBondContact O-N 3.31Å; K97-S100 WeakPolarHBondContact CA-OG 3.43Å; K97-S100 CarbonylContact O-C 3.45Å; K97-S100 PolarHBondContact O-N 3.16Å; K97-S100 PolarHBondContact O-OG 3.38Å; K97-V101 VanDerWaalsContact O-CG2 3.25Å; K97-V101 WeakPolarHBondContact O-CG2 3.39Å; K97-V101 PolarHBondContact O-N 3.2Å
98	I	54.8	Low	54.6	Low	97 Å²	97	104.3 Å²	104.3	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-47.5	177.5	-68	162.9	0	0	0	110.5	E94 E95 S100 V101 I102	E94-I98 WeakPolarHBondContact O-CB 3.24Å; E94-I98 VanDerWaalsContact O-CG1 3.23Å; E94-I98 WeakPolarHBondContact O-CG1 3.4Å; E94-I98 PolarHBondContact O-N 2.86Å; E95-I98 PolarHBondContact O-N 3.42Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.24Å; I98-V101 CarbonylContact O-C 3.42Å; I98-V101 WeakPolarHBondContact O-CB 3.2Å; I98-V101 PolarHBondContact O-N 2.99Å; I98-V101 VanDerWaalsContact O-N 3.09Å; I98-I102 HydrophobicContact CG2-CD1 3.79Å; I98-I102 HydrophobicContact CG2-CG1 4.47Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.38Å; I98-I102 PolarHBondContact O-N 3.33Å
99	N	53.2	Low	51.9	Low	87 Å²	87	108.7 Å²	108.7	47%	0.465	55%	0.548	S	S	.	.	H	α-helix	trans	-64.5	-35.1	175.9	-70.1	-23.7	0	0	0	111.4	E95 I102 D103	E95-N99 VanDerWaalsContact O-CB 3.22Å; E95-N99 WeakPolarHBondContact O-CB 3.25Å; E95-N99 PolarHBondContact O-N 2.9Å; E95-N99 PolarHBondContact O-ND2 3.39Å; N99-I102 PolarHBondContact O-N 3.35Å; N99-D103 VanDerWaalsContact O-CB 3.24Å; N99-D103 WeakPolarHBondContact O-CB 3.36Å; N99-D103 PolarHBondContact O-N 3.49Å
100	S	54.2	Low	49.5	Very low	47 Å²	47	111 Å²	111	33%	0.329	57%	0.571	S	S	.	*	H	α-helix	trans	-69.8	-30.7	172.5	75.9	0	0	0	0	112.7	S96 K97 I98 Q104	S96-S100 WeakPolarHBondContact O-CB 3.38Å; S96-S100 PolarHBondContact O-N 3.3Å; S96-S100 PolarHBondContact O-OG 3.38Å; K97-S100 WeakPolarHBondContact CA-OG 3.43Å; K97-S100 CarbonylContact O-C 3.45Å; K97-S100 PolarHBondContact O-N 3.16Å; K97-S100 PolarHBondContact O-OG 3.38Å; I98-S100 VanDerWaalsContact C-N 3.3Å; I98-S100 PolarHBondContact O-N 3.24Å; S100-Q104 WeakPolarHBondContact O-CB 3.32Å; S100-Q104 WeakPolarHBondContact O-CG 3.44Å; S100-Q104 PolarHBondContact O-N 3.4Å
101	V	55	Low	46.9	Very low	84 Å²	84	111.4 Å²	111.4	51%	0.509	59%	0.585	S	S	.	*	H	α-helix	trans	-72	-37	172.8	169.5	0	0	0	0	110.3	K97 I98	K97-V101 VanDerWaalsContact O-CG2 3.25Å; K97-V101 WeakPolarHBondContact O-CG2 3.39Å; K97-V101 PolarHBondContact O-N 3.2Å; I98-V101 CarbonylContact O-C 3.42Å; I98-V101 WeakPolarHBondContact O-CB 3.2Å; I98-V101 PolarHBondContact O-N 2.99Å; I98-V101 VanDerWaalsContact O-N 3.09Å
102	I	46.6	Very low	44.4	Very low	95 Å²	95	114.2 Å²	114.2	49%	0.487	61%	0.605	S	S	.	*	H	α-helix	trans	-69.4	-39.1	173.3	-65.6	166.4	0	0	0	110.7	I98 N99 Q105	I98-I102 HydrophobicContact CG2-CD1 3.79Å; I98-I102 HydrophobicContact CG2-CG1 4.47Å; I98-I102 VanDerWaalsContact O-CG1 3.27Å; I98-I102 WeakPolarHBondContact O-CG1 3.38Å; I98-I102 PolarHBondContact O-N 3.33Å; N99-I102 PolarHBondContact O-N 3.35Å; I102-Q105 PolarHBondContact O-N 2.9Å
103	D	39.7	Very low	42.8	Very low	98 Å²	98	119.5 Å²	119.5	52%	0.524	64%	0.636	S	S	.	*	H	α-helix	trans	-76.9	-27.7	177.7	-78.4	-23.8	0	0	0	112.7	N99 Q105 K106 Y107	N99-D103 VanDerWaalsContact O-CB 3.24Å; N99-D103 WeakPolarHBondContact O-CB 3.36Å; N99-D103 PolarHBondContact O-N 3.49Å; D103-Q105 PolarHBondContact O-N 2.71Å; D103-K106 WeakPolarHBondContact O-CA 3.26Å; D103-K106 PolarHBondContact O-N 3.34Å; D103-Y107 PolarHBondContact O-N 3.08Å; D103-Y107 VanDerWaalsContact O-N 3.15Å
104	Q	37.3	Very low	40.9	Very low	146 Å²	146	123.6 Å²	123.6	68%	0.682	65%	0.652	S	S	*	*	H	α-helix	trans	-64.3	-21.3	171.1	-84.6	168.8	23.6	0	0	112.2	S100 K106	S100-Q104 WeakPolarHBondContact O-CB 3.32Å; S100-Q104 WeakPolarHBondContact O-CG 3.44Å; S100-Q104 PolarHBondContact O-N 3.4Å; Q104-K106 VanDerWaalsContact C-N 3.26Å
105	Q	35.8	Very low	39.2	Very low	170 Å²	170	124.3 Å²	124.3	79%	0.794	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-3.7	169.1	-68.4	-174.6	-16.3	0	0	113.4	I102 D103	I102-Q105 PolarHBondContact O-N 2.9Å; D103-Q105 PolarHBondContact O-N 2.71Å
106	K	35.8	Very low	37.6	Very low	167 Å²	167	125.1 Å²	125.1	73%	0.726	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.3	-3.8	-177.3	-85.2	-173.1	176.1	178.8	0	117.2	D103 Q104	D103-K106 WeakPolarHBondContact O-CA 3.26Å; D103-K106 PolarHBondContact O-N 3.34Å; Q104-K106 VanDerWaalsContact C-N 3.26Å
107	Y	27.9	Very low	35.9	Very low	190 Å²	190	124.8 Å²	124.8	75%	0.745	69%	0.691	S	S	*	*			trans	-137.6	80.1	173.3	-81.4	-85.3	0	0	0	112.8	D103	D103-Y107 PolarHBondContact O-N 3.08Å; D103-Y107 VanDerWaalsContact O-N 3.15Å
108	E	25.4	Very low	33.9	Very low	182 Å²	182	128.7 Å²	128.7	85%	0.85	71%	0.708	S	S	*	*			trans	-68.4	142.6	136.5	-125	174.5	176.8	0	0	107.1
109	V	27.4	Very low	32.4	Very low	134 Å²	134	134.6 Å²	134.6	81%	0.812	73%	0.73	S	S	*	*			trans	87	83.5	-177.8	-160.9	0	0	0	0	116
110	A	28.3	Very low	31.1	Very low	106 Å²	106	140.3 Å²	140.3	88%	0.876	75%	0.75	S	S	*	*				172.7	135.6	118.2	0	0	0	0	0	111.7
111	S	24.3	Very low	29.7	Very low	110 Å²	110	148.4 Å²	148.4	77%	0.769	78%	0.78	S	S	*	*			trans	-93.6	155.1	-162	55.8	0	0	0	0	116
112	C	23.9	Very low	28.6	Very low	121 Å²	121	154.1 Å²	154.1	82%	0.818	79%	0.792	S	S	*	*			trans	56.7	105.2	144.9	-80.7	0	0	0	0	120.2
113	V	26.8	Very low	27.8	Very low	147 Å²	147	158.8 Å²	158.8	89%	0.891	81%	0.809	S	S	*	*			trans	-146.8	132.7	130.9	-177.6	0	0	0	0	109.9
114	K	24.9	Very low	27.4	Very low	195 Å²	195	163.7 Å²	163.7	85%	0.848	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-79.5	146.5	-176.3	-66.2	176.8	178.1	176.6	0	112.9
115	P	24.3	Very low	27.4	Very low	133 Å²	133	165.6 Å²	165.6	86%	0.864	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-87.5	117.8	176	32	-29.1	0	0	0	111.4
116	C	22.5	Very low	27.2	Very low	129 Å²	129	163.3 Å²	163.3	87%	0.872	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-100.5	119.1	168.5	-167.5	0	0	0	0	109.7
117	G	22.1	Very low	27.5	Very low	59 Å²	59	159.3 Å²	159.3	61%	0.608	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-75.7	172.4	178.5	0	0	0	0	0	114.5
118	K	22.6	Very low	28.2	Very low	205 Å²	205	157.4 Å²	157.4	89%	0.891	82%	0.82	S	S	*	*				172	132.1	120.1	-90.4	170.9	-173.8	177.5	0	109.9	K120	K118-K120 PolarHBondContact O-N 3.18Å
119	K	22.5	Very low	29	Very low	221 Å²	221	155.2 Å²	155.2	96%	0.961	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-57.5	119.9	-178.8	-66.2	173.4	175.7	175.6	0	111
120	K	26.2	Very low	29.6	Very low	207 Å²	207	153.3 Å²	153.3	90%	0.9	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-92.6	126	173.3	-80	-177.1	176.9	177.2	0	111	K118	K118-K120 PolarHBondContact O-N 3.18Å
121	K	23.7	Very low	29.8	Very low	218 Å²	218	151.2 Å²	151.2	95%	0.948	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-73.2	129.8	178.2	-133	173.9	-179.1	179.1	0	109.6
122	R	33.2	Very low	30.6	Very low	204 Å²	204	150 Å²	150	77%	0.77	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-72	128.3	-172.7	-64.2	169.2	102.4	146.5	6	111.6	D207	R122-D207 IonicContact CZ-OD2 3.58Å; R122-D207 IonicContact NH1-OD2 3.04Å; R122-D207 PolarHBondContact NH1-OD2 3.1Å; R122-D207 IonicContact NH2-OD2 3.27Å; R122-D207 PolarHBondContact NH2-OD2 3.15Å
123	K	29.6	Very low	31.7	Very low	193 Å²	193	150 Å²	150	84%	0.839	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-90	126.8	162.4	-145.8	175.6	-174.1	178.3	0	107.8
124	K	30.4	Very low	32.5	Very low	200 Å²	200	146.7 Å²	146.7	87%	0.87	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-64.6	138.2	-178.8	-81	177	175.7	173.4	0	110.4	T126	K124-T126 PolarHBondContact O-N 3.32Å
125	E	36.6	Very low	33.7	Very low	186 Å²	186	138.7 Å²	138.7	87%	0.869	71%	0.709	S	S	*	*			trans	-46.6	109	178.7	-70.5	176.7	137.8	0	0	111.7	D127	E125-D127 PolarHBondContact O-N 3.1Å
126	T	33.1	Very low	34.8	Very low	122 Å²	122	137.3 Å²	137.3	75%	0.748	69%	0.691	S	S	*	*			trans	-70.9	112.1	164.7	43.1	0	0	0	0	107.8	K124 I128	K124-T126 PolarHBondContact O-N 3.32Å; T126-I128 PolarHBondContact O-N 3.5Å
127	D	41.7	Very low	36.2	Very low	84 Å²	84	134 Å²	134	45%	0.449	66%	0.663	S	S	.	*			trans	-48.8	126.2	175.6	-125.4	-40.1	0	0	0	110.2	E125 Y129 S130 K721	E125-D127 PolarHBondContact O-N 3.1Å; D127-Y129 PolarHBondContact O-N 3.17Å; D127-S130 PolarHBondContact O-N 3.04Å; D127-S130 PolarHBondContact O-OG 3.06Å; D127-K721 IonicContact OD2-NZ 3.57Å; D127-K721 PolarHBondContact OD2-NZ 3.42Å
128	I	43.2	Very low	37.6	Very low	150 Å²	150	135.1 Å²	135.1	77%	0.769	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	14.4	-173.8	-56.1	165	0	0	0	112	T126	T126-I128 PolarHBondContact O-N 3.5Å
129	Y	40.6	Very low	38.8	Very low	136 Å²	136	126.7 Å²	126.7	53%	0.533	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.8	6	-176.8	-61	-69.7	0	0	0	114	D127 K222	D127-Y129 PolarHBondContact O-N 3.17Å; Y129-K222 PolarHBondContact OH-NZ 2.9Å
130	S	40.4	Very low	39.7	Very low	93 Å²	93	119.8 Å²	119.8	65%	0.65	60%	0.595	S	S	*	*			trans	-78.4	-20.8	-174.8	46.8	0	0	0	0	115.7	D127 L132	D127-S130 PolarHBondContact O-N 3.04Å; D127-S130 PolarHBondContact O-OG 3.06Å; S130-L132 PolarHBondContact O-N 2.94Å
131	G	33.7	Very low	40.6	Very low	63 Å²	63	116.3 Å²	116.3	65%	0.649	59%	0.587	S	S	*	*			trans	-95.8	47.7	-173.8	0	0	0	0	0	115.6
132	L	41.4	Very low	42	Very low	83 Å²	83	108.8 Å²	108.8	44%	0.435	56%	0.559	S	S	.	*			trans	-133.2	87.4	178.5	-68.3	177.2	0	0	0	111.4	S130 V134	S130-L132 PolarHBondContact O-N 2.94Å; L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 2.83Å
133	D	46.2	Very low	42.5	Very low	121 Å²	121	101.5 Å²	101.5	65%	0.647	55%	0.547	S	S	*	.			trans	-78.6	-10.6	-173	-54.9	-36.3	0	0	0	113.7
134	V	44.3	Very low	43.4	Very low	79 Å²	79	96.7 Å²	96.7	48%	0.479	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.5	-179.8	-174.5	0	0	0	0	109.9	L132 V148	L132-V134 VanDerWaalsContact C-N 3.28Å; L132-V134 PolarHBondContact O-N 2.83Å; V134-V148 HydrophobicContact CG1-CG1 3.42Å; V134-V148 VanDerWaalsContact CG1-CG1 3.42Å
135	I	48.3	Very low	44.4	Very low	27 Å²	27	91.3 Å²	91.3	14%	0.138	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.4	175.2	-60.3	173.2	0	0	0	110	V148 H149 L151 R506	I135-V148 WeakPolarHBondContact O-CA 3.31Å; I135-H149 PolarHBondContact N-O 3.35Å; I135-H149 PolarHBondContact O-N 3.43Å; I135-L151 HydrophobicContact CD1-CD1 4.04Å; I135-R506 VanDerWaalsContact CG2-NH1 3.34Å
136	E	49.4	Very low	45.4	Very low	104 Å²	104	88.8 Å²	88.8	49%	0.486	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	116.8	171.4	-65.7	169.6	179	0	0	109.6	L138 I145 A147 V148	E136-L138 HydrophobicContact CB-CD2 4.49Å; E136-I145 HydrophobicContact CB-CB 4.5Å; E136-I145 HydrophobicContact CB-CD1 4.43Å; E136-I145 HydrophobicContact CB-CG1 4.01Å; E136-I145 HydrophobicContact CB-CG2 3.83Å; E136-I145 HydrophobicContact CG-CD1 3.88Å; E136-I145 HydrophobicContact CG-CG1 4.02Å; E136-I145 HydrophobicContact CG-CG2 3.9Å; E136-I145 WeakPolarHBondContact OE1-CD1 3.35Å; E136-I145 WeakPolarHBondContact OE2-CD1 3.09Å; E136-A147 CarbonylContact C-O 3.31Å; E136-A147 WeakPolarHBondContact CA-O 3.29Å; E136-V148 HydrophobicContact CG-CG2 4.27Å
137	E	51	Low	46.2	Very low	59 Å²	59	84.5 Å²	84.5	28%	0.276	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.3	162.6	-176.3	179.7	160.7	0	0	107.5	I145 R146 A147	E137-I145 CarbonylContact O-C 3.52Å; E137-I145 WeakPolarHBondContact O-CA 3.47Å; E137-R146 HydrophobicContact CG-CB 4.29Å; E137-R146 WeakPolarHBondContact O-CA 3.39Å; E137-R146 WeakPolarHBondContact O-CB 3.37Å; E137-R146 PolarHBondContact O-N 3.43Å; E137-R146 WeakPolarHBondContact OE1-CD 3.49Å; E137-R146 IonicContact OE1-CZ 3.35Å; E137-R146 IonicContact OE1-NE 3.09Å; E137-R146 IonicContact OE1-NH1 2.62Å; E137-R146 PolarHBondContact OE1-NH1 3.15Å; E137-A147 HydrophobicContact CB-CB 4.06Å; E137-A147 PolarHBondContact N-O 3.36Å; E137-A147 PolarHBondContact O-N 3.33Å
138	L	51.5	Low	46.4	Very low	82 Å²	82	84.5 Å²	84.5	43%	0.429	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	138.6	179	-58.3	171.1	0	0	0	110.5	E136 E144 I145	E136-L138 HydrophobicContact CB-CD2 4.49Å; L138-E144 CarbonylContact C-O 3.6Å; L138-E144 WeakPolarHBondContact CA-O 3.31Å; L138-I145 HydrophobicContact CD2-CB 4.45Å; L138-I145 HydrophobicContact CD2-CG1 3.84Å
139	D	48	Very low	46.9	Very low	29 Å²	29	81.4 Å²	81.4	16%	0.155	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-67.2	128.3	167.1	-175.3	-71.9	0	0	0	109.5	N141 T142 G143 E144 R146	D139-N141 VanDerWaalsContact C-N 3.28Å; D139-N141 PolarHBondContact O-N 2.98Å; D139-N141 WeakPolarHBondContact OD1-CA 3.47Å; D139-N141 WeakPolarHBondContact OD1-CB 3.38Å; D139-N141 PolarHBondContact OD1-N 3.3Å; D139-T142 WeakPolarHBondContact CB-OG1 3.42Å; D139-T142 PolarHBondContact OD1-N 3.26Å; D139-T142 VanDerWaalsContact OD1-N 3.09Å; D139-G143 VanDerWaalsContact O-CA 3.25Å; D139-G143 WeakPolarHBondContact O-CA 3.48Å; D139-G143 PolarHBondContact O-N 3.43Å; D139-E144 PolarHBondContact N-O 3.4Å; D139-R146 HydrophobicContact CB-CB 4.49Å
140	V	42.3	Very low	46.7	Very low	76 Å²	76	79.9 Å²	79.9	46%	0.461	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.9	-171	-177.3	0	0	0	0	112.5
141	N	44.4	Very low	46.9	Very low	134 Å²	134	81 Å²	81	72%	0.717	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-34	-179.7	-53.2	-50.7	0	0	0	111.7	D139	D139-N141 VanDerWaalsContact C-N 3.28Å; D139-N141 PolarHBondContact O-N 2.98Å; D139-N141 WeakPolarHBondContact OD1-CA 3.47Å; D139-N141 WeakPolarHBondContact OD1-CB 3.38Å; D139-N141 PolarHBondContact OD1-N 3.3Å
142	T	52.1	Low	46.9	Very low	60 Å²	60	81.3 Å²	81.3	37%	0.368	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-23	-177.5	66.9	0	0	0	0	113.7	D139 E144 A637	D139-T142 WeakPolarHBondContact CB-OG1 3.42Å; D139-T142 PolarHBondContact OD1-N 3.26Å; D139-T142 VanDerWaalsContact OD1-N 3.09Å; T142-E144 PolarHBondContact O-N 3.32Å; T142-E144 WeakPolarHBondContact OG1-CB 3.43Å; T142-E144 PolarHBondContact OG1-N 3.09Å; T142-A637 HydrophobicContact CG2-CB 3.82Å
143	G	44.4	Very low	46.4	Very low	51 Å²	51	85 Å²	85	53%	0.526	48%	0.482	S	S	.	.			trans	75.5	6.7	-172	0	0	0	0	0	114.1	D139	D139-G143 VanDerWaalsContact O-CA 3.25Å; D139-G143 WeakPolarHBondContact O-CA 3.48Å; D139-G143 PolarHBondContact O-N 3.43Å
144	E	48.1	Very low	45.7	Very low	91 Å²	91	84.5 Å²	84.5	43%	0.425	49%	0.486	S	S	.	.			trans	-87.7	156.7	-177.5	-63.4	-177.7	155.7	0	0	112.7	L138 D139 T142 R146	L138-E144 CarbonylContact C-O 3.6Å; L138-E144 WeakPolarHBondContact CA-O 3.31Å; D139-E144 PolarHBondContact N-O 3.4Å; T142-E144 PolarHBondContact O-N 3.32Å; T142-E144 WeakPolarHBondContact OG1-CB 3.43Å; T142-E144 PolarHBondContact OG1-N 3.09Å; E144-R146 PolarHBondContact O-N 2.97Å; E144-R146 VanDerWaalsContact O-N 3.12Å
145	I	51.8	Low	45.1	Very low	87 Å²	87	86.1 Å²	86.1	45%	0.446	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	106.5	178.5	-54.4	164.6	0	0	0	110.2	E136 E137 L138 V148	E136-I145 HydrophobicContact CB-CB 4.5Å; E136-I145 HydrophobicContact CB-CD1 4.43Å; E136-I145 HydrophobicContact CB-CG1 4.01Å; E136-I145 HydrophobicContact CB-CG2 3.83Å; E136-I145 HydrophobicContact CG-CD1 3.88Å; E136-I145 HydrophobicContact CG-CG1 4.02Å; E136-I145 HydrophobicContact CG-CG2 3.9Å; E136-I145 WeakPolarHBondContact OE1-CD1 3.35Å; E136-I145 WeakPolarHBondContact OE2-CD1 3.09Å; E137-I145 CarbonylContact O-C 3.52Å; E137-I145 WeakPolarHBondContact O-CA 3.47Å; L138-I145 HydrophobicContact CD2-CB 4.45Å; L138-I145 HydrophobicContact CD2-CG1 3.84Å; I145-V148 HydrophobicContact CG2-CG2 3.6Å
146	R	56.9	Low	44.1	Very low	134 Å²	134	91.1 Å²	91.1	51%	0.506	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-35.4	175.1	-172.3	177.2	-178.2	-146.1	5.1	113.3	E137 D139 E144	E137-R146 HydrophobicContact CG-CB 4.29Å; E137-R146 WeakPolarHBondContact O-CA 3.39Å; E137-R146 WeakPolarHBondContact O-CB 3.37Å; E137-R146 PolarHBondContact O-N 3.43Å; E137-R146 WeakPolarHBondContact OE1-CD 3.49Å; E137-R146 IonicContact OE1-CZ 3.35Å; E137-R146 IonicContact OE1-NE 3.09Å; E137-R146 IonicContact OE1-NH1 2.62Å; E137-R146 PolarHBondContact OE1-NH1 3.15Å; D139-R146 HydrophobicContact CB-CB 4.49Å; E144-R146 PolarHBondContact O-N 2.97Å; E144-R146 VanDerWaalsContact O-N 3.12Å
147	A	50.3	Low	43.5	Very low	32 Å²	32	93.4 Å²	93.4	26%	0.264	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	149.4	176.8	0	0	0	0	0	111.5	E136 E137	E136-A147 CarbonylContact C-O 3.31Å; E136-A147 WeakPolarHBondContact CA-O 3.29Å; E137-A147 HydrophobicContact CB-CB 4.06Å; E137-A147 PolarHBondContact N-O 3.36Å; E137-A147 PolarHBondContact O-N 3.33Å
148	V	47.2	Very low	42.5	Very low	83 Å²	83	98.1 Å²	98.1	50%	0.503	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.1	128.8	175.3	-175.6	0	0	0	0	108.9	V134 I135 E136 I145	V134-V148 HydrophobicContact CG1-CG1 3.42Å; V134-V148 VanDerWaalsContact CG1-CG1 3.42Å; I135-V148 WeakPolarHBondContact O-CA 3.31Å; E136-V148 HydrophobicContact CG-CG2 4.27Å; I145-V148 HydrophobicContact CG2-CG2 3.6Å
149	H	52.1	Low	41.5	Very low	86 Å²	86	100 Å²	100	40%	0.398	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115	116.1	177.5	-55.8	-58	0	0	0	110.1	I135	I135-H149 PolarHBondContact N-O 3.35Å; I135-H149 PolarHBondContact O-N 3.43Å
150	S	38.2	Very low	40.8	Very low	103 Å²	103	106.6 Å²	106.6	72%	0.72	62%	0.615	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83.1	135	171.9	-60.9	0	0	0	0	110.8
151	L	43.6	Very low	40.1	Very low	118 Å²	118	109.7 Å²	109.7	62%	0.618	63%	0.634	S	S	*	*			trans	-111.9	62	178.1	-69.8	172.4	0	0	0	111.7	I135	I135-L151 HydrophobicContact CD1-CD1 4.04Å
152	G	33.9	Very low	39.3	Very low	68 Å²	68	109.3 Å²	109.3	70%	0.701	63%	0.632	S	S	*	*			trans	68.1	162.5	166.6	0	0	0	0	0	117
153	D	31.1	Very low	38.1	Very low	160 Å²	160	112 Å²	112	86%	0.856	65%	0.65	S	S	*	*			trans	-70.3	145.2	-169	-63.6	-41.5	0	0	0	114.1
154	P	31.6	Very low	37.3	Very low	112 Å²	112	117.2 Å²	117.2	73%	0.727	66%	0.664	S	S	*	*			trans	-71.4	135.4	-171.6	28.3	-34.3	0	0	0	112.5	T156	P154-T156 PolarHBondContact O-N 2.79Å
155	V	31.7	Very low	36.5	Very low	112 Å²	112	120.3 Å²	120.3	68%	0.679	68%	0.682	S	S	*	*			trans	-76.5	111.1	167.9	178.6	0	0	0	0	108	E157	V155-E157 HydrophobicContact CG1-CG 4.35Å; V155-E157 PolarHBondContact O-N 3.05Å
156	T	26.3	Very low	35.2	Very low	133 Å²	133	124 Å²	124	82%	0.816	70%	0.697	S	S	*	*			trans	-68.4	100.8	166.7	47.3	0	0	0	0	109.3	P154	P154-T156 PolarHBondContact O-N 2.79Å
157	E	36.2	Very low	33.8	Very low	151 Å²	151	122.8 Å²	122.8	71%	0.706	71%	0.707	S	S	*	*			trans	-134.1	136	157.6	-81.2	-178.5	-163.8	0	0	108.8	V155	V155-E157 HydrophobicContact CG1-CG 4.35Å; V155-E157 PolarHBondContact O-N 3.05Å
158	D	30.9	Very low	33.1	Very low	159 Å²	159	127.1 Å²	127.1	85%	0.85	73%	0.732	S	S	*	*			trans	-62.8	149.3	-155	-66.4	-60.9	0	0	0	116.2	E160	D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.74Å
159	S	31.2	Very low	32.4	Very low	120 Å²	120	129.3 Å²	129.3	84%	0.839	75%	0.745	S	S	*	*			trans	-66.8	79.9	173.6	-67.3	0	0	0	0	111.6
160	E	33.4	Very low	31.3	Very low	169 Å²	169	131 Å²	131	79%	0.79	77%	0.766	S	S	*	*			trans	-88.1	98.3	152.5	-75.5	-166.4	172.2	0	0	108.7	D158 L162	D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.74Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.27Å
161	T	27.5	Very low	31.1	Very low	140 Å²	140	132.9 Å²	132.9	86%	0.859	77%	0.767	S	S	*	*			trans	-64.9	89.9	175.8	-24.4	0	0	0	0	109
162	L	27.1	Very low	30.4	Very low	127 Å²	127	136 Å²	136	67%	0.665	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-69.7	137	174.9	-68.8	175.5	0	0	0	110.2	E160	E160-L162 VanDerWaalsContact C-N 3.32Å; E160-L162 PolarHBondContact O-N 3.27Å
163	P	26.5	Very low	30.3	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-64.6	140.7	-166.4	24.6	-34	0	0	0	112.6	I165	P163-I165 PolarHBondContact O-N 3.12Å
164	I	28.5	Very low	30.6	Very low	160 Å²	160	134.5 Å²	134.5	82%	0.821	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-52.7	121.3	176.7	-62.1	165.5	0	0	0	109	E166	I164-E166 PolarHBondContact O-N 2.88Å; I164-E166 VanDerWaalsContact O-N 3.09Å
165	I	30	Very low	31.3	Very low	156 Å²	156	135.2 Å²	135.2	80%	0.8	75%	0.754	S	S	*	*			trans	-67.8	105.9	166.7	-62.8	169	0	0	0	106.5	P163	P163-I165 PolarHBondContact O-N 3.12Å
166	E	24.8	Very low	32.2	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-58.2	133.1	162.9	-78.2	-176.8	154.5	0	0	108.5	I164	I164-E166 PolarHBondContact O-N 2.88Å; I164-E166 VanDerWaalsContact O-N 3.09Å
167	P	28.7	Very low	34	Very low	108 Å²	108	135.4 Å²	135.4	70%	0.701	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55.7	140.7	173.7	24.9	-31.9	0	0	0	108.5	V169	P167-V169 PolarHBondContact O-N 2.88Å; P167-V169 VanDerWaalsContact O-N 3.12Å
168	P	34.5	Very low	36.2	Very low	123 Å²	123	129.8 Å²	129.8	80%	0.799	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-51.2	127.3	-179.5	19.7	-30.7	0	0	0	109.1	C170	P168-C170 PolarHBondContact O-N 3.14Å
169	V	32.2	Very low	39.1	Very low	129 Å²	129	124.1 Å²	124.1	78%	0.782	68%	0.676	S	S	*	*			trans	-34.3	123.3	178.6	176.2	0	0	0	0	109	P167 L171	P167-V169 PolarHBondContact O-N 2.88Å; P167-V169 VanDerWaalsContact O-N 3.12Å; V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.36Å
170	C	30.1	Very low	42.1	Very low	123 Å²	123	118.4 Å²	118.4	83%	0.831	64%	0.636	S	S	*	*			trans	-50.2	94.3	176.7	-122.2	0	0	0	0	108.7	P168 K172	P168-C170 PolarHBondContact O-N 3.14Å; C170-K172 PolarHBondContact O-N 2.98Å
171	L	33	Very low	45	Very low	141 Å²	141	110.4 Å²	110.4	74%	0.738	60%	0.599	S	S	*	*			trans	-59.2	115.1	162.7	-70.2	172.2	0	0	0	103.9	V169	V169-L171 VanDerWaalsContact C-N 3.29Å; V169-L171 PolarHBondContact O-N 3.36Å
172	K	28.4	Very low	48.3	Very low	183 Å²	183	103.8 Å²	103.8	80%	0.796	56%	0.558	S	S	*	*			trans	-43.8	129.5	168.1	-69.4	-177.8	178.6	179.8	0	106.5	C170 N174	C170-K172 PolarHBondContact O-N 2.98Å; K172-N174 VanDerWaalsContact C-N 3.27Å; K172-N174 PolarHBondContact O-N 2.81Å
173	P	33.7	Very low	51.7	Low	95 Å²	95	97.7 Å²	97.7	62%	0.617	53%	0.526	S	S	*	.			trans	-64.7	95.3	-177.1	26.1	-32.1	0	0	0	107.4	L175	P173-L175 HydrophobicContact CB-CD1 4.48Å; P173-L175 PolarHBondContact O-N 2.95Å
174	N	37.5	Very low	55.1	Low	102 Å²	102	92.1 Å²	92.1	55%	0.545	49%	0.49	S	S	.	.			trans	-61.3	99.6	152.5	-81	-2	0	0	0	103.6	K172 N176 R177	K172-N174 VanDerWaalsContact C-N 3.27Å; K172-N174 PolarHBondContact O-N 2.81Å; N174-N176 PolarHBondContact O-N 3.07Å; N174-R177 HydrophobicContact CB-CB 4.3Å; N174-R177 HydrophobicContact CB-CG 4.08Å; N174-R177 PolarHBondContact O-N 2.83Å
175	L	45.4	Very low	58.3	Low	127 Å²	127	84.5 Å²	84.5	67%	0.665	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-28.5	-176.2	-113.5	73.4	0	0	0	111.8	P173	P173-L175 HydrophobicContact CB-CD1 4.48Å; P173-L175 PolarHBondContact O-N 2.95Å
176	N	50.8	Low	61.3	Low	98 Å²	98	77.1 Å²	77.1	52%	0.524	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-26.9	-179.4	-63.8	-8.3	0	0	0	114	Q88 N174	Q88-N176 PolarHBondContact NE2-O 3.1Å; N174-N176 PolarHBondContact O-N 3.07Å
177	R	64.6	Low	64.3	Low	151 Å²	151	69.7 Å²	69.7	57%	0.57	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-27.9	-174.5	-70.3	-176	78.6	162.4	5.8	114.2	N174	N174-R177 HydrophobicContact CB-CB 4.3Å; N174-R177 HydrophobicContact CB-CG 4.08Å; N174-R177 PolarHBondContact O-N 2.83Å
178	N	81.9	Confident	67	Low	34 Å²	34	65.1 Å²	65.1	18%	0.182	35%	0.349	C	S	.	.	S	Bend	trans	-121.6	83.4	-171.7	-76.8	-29.3	0	0	0	109.8	R210 C230 H251	N178-R210 PolarHBondContact OD1-NH2 3.1Å; N178-C230 HydrophobicContact CB-CB 3.84Å; N178-H251 PolarHBondContact O-ND1 3.3Å
179	R	90.8	Very high	69.3	Low	39 Å²	39	60.8 Å²	60.8	15%	0.147	32%	0.317	C	S	.	.			trans	-124.6	161.3	175.6	70.6	-172.4	-169.1	94.5	3	111.6	Y181 T254 S257 N259	R179-Y181 HydrophobicContact CG-CD1 4.49Å; R179-Y181 HydrophobicContact CG-CD2 4.41Å; R179-Y181 HydrophobicContact CG-CE1 4.14Å; R179-Y181 HydrophobicContact CG-CE2 4.05Å; R179-Y181 VanDerWaalsContact NH2-CD1 3.33Å; R179-Y181 WeakPolarHBondContact O-CD2 3.27Å; R179-Y181 WeakPolarHBondContact O-CE2 3.46Å; R179-T254 WeakPolarHBondContact CA-OG1 3.36Å; R179-T254 HydrophobicContact CB-CG2 4.15Å; R179-S257 PolarHBondContact NH1-O 2.96Å; R179-S257 PolarHBondContact NH1-OG 2.8Å; R179-N259 PolarHBondContact NH1-OD1 3.41Å; R179-N259 VanDerWaalsContact NH1-OD1 3.1Å; R179-N259 PolarHBondContact NH2-OD1 3.22Å
180	V	94.4	Very high	71.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.283	C	S	.	.			trans	-83.4	116.9	170.9	-175.1	0	0	0	0	109.4	G182 L234 H251 T254 L255	V180-G182 VanDerWaalsContact CG1-O 3.23Å; V180-G182 WeakPolarHBondContact CG1-O 3.29Å; V180-L234 HydrophobicContact CG1-CB 4.06Å; V180-H251 VanDerWaalsContact CG2-NE2 3.27Å; V180-H251 WeakPolarHBondContact CG2-NE2 3.28Å; V180-T254 PolarHBondContact N-OG1 3.12Å; V180-L255 HydrophobicContact CB-CD2 3.71Å; V180-L255 HydrophobicContact CB-CG 4.31Å; V180-L255 HydrophobicContact CG1-CD2 3.56Å; V180-L255 HydrophobicContact CG2-CD2 4.14Å; V180-L255 HydrophobicContact CG2-CG 4.36Å
181	Y	95.3	Very high	74.4	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.008	25%	0.245	C	C	.	.			trans	-89.2	-32.7	177.8	-59.7	-96.9	0	0	0	111.9	V81 L84 Q88 R179 D232 V258 N259 V260	V81-Y181 HydrophobicContact CG1-CD2 4.4Å; V81-Y181 HydrophobicContact CG1-CG 4.31Å; L84-Y181 HydrophobicContact CB-CD1 4.01Å; L84-Y181 HydrophobicContact CB-CE1 4.25Å; L84-Y181 HydrophobicContact CD1-CD1 4.27Å; Q88-Y181 PolarHBondContact OE1-OH 3.34Å; R179-Y181 HydrophobicContact CG-CD1 4.49Å; R179-Y181 HydrophobicContact CG-CD2 4.41Å; R179-Y181 HydrophobicContact CG-CE1 4.14Å; R179-Y181 HydrophobicContact CG-CE2 4.05Å; R179-Y181 VanDerWaalsContact NH2-CD1 3.33Å; R179-Y181 WeakPolarHBondContact O-CD2 3.27Å; R179-Y181 WeakPolarHBondContact O-CE2 3.46Å; Y181-D232 HydrophobicContact CD2-CB 3.98Å; Y181-D232 HydrophobicContact CE2-CB 4.41Å; Y181-D232 PolarHBondContact N-O 2.76Å; Y181-V258 WeakPolarHBondContact O-CG2 3.12Å; Y181-N259 PolarHBondContact O-N 3.14Å; Y181-V260 PolarHBondContact O-N 2.75Å; Y181-V260 VanDerWaalsContact O-N 3.14Å
182	G	97.1	Very high	77.2	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133	-176.7	0	0	0	0	0	112.7	V180 D232 I233 L234 V260	V180-G182 VanDerWaalsContact CG1-O 3.23Å; V180-G182 WeakPolarHBondContact CG1-O 3.29Å; G182-D232 PolarHBondContact N-O 2.82Å; G182-D232 VanDerWaalsContact N-O 3.17Å; G182-I233 CarbonylContact O-C 3.56Å; G182-I233 WeakPolarHBondContact O-CA 3.48Å; G182-L234 PolarHBondContact O-N 3.13Å; G182-V260 WeakPolarHBondContact CA-O 3.46Å
183	L	97.7	Very high	80	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.8	174.6	175.7	65.8	0	0	0	109.9	L185 L234 L241 L255 V258 V260 V261 V262 L285	L183-L185 HydrophobicContact CD1-CD2 4.17Å; L183-L185 HydrophobicContact CD2-CD2 4.15Å; L183-L185 HydrophobicContact CD2-CG 4.24Å; L183-L185 HydrophobicContact CG-CD2 4.2Å; L183-L185 HydrophobicContact CG-CG 4.25Å; L183-L234 CarbonylContact C-O 3.55Å; L183-L234 WeakPolarHBondContact CA-O 3.43Å; L183-L234 HydrophobicContact CD1-CB 4.27Å; L183-L234 HydrophobicContact CD1-CD2 4.15Å; L183-L234 HydrophobicContact CD1-CG 4.29Å; L183-L241 HydrophobicContact CD1-CD2 3.91Å; L183-L241 HydrophobicContact CD2-CD2 4.09Å; L183-L255 HydrophobicContact CB-CD2 4.18Å; L183-L255 HydrophobicContact CD1-CD2 4.32Å; L183-L255 HydrophobicContact CD2-CD2 4.23Å; L183-L255 HydrophobicContact CG-CD2 4.48Å; L183-V258 HydrophobicContact CB-CG2 4Å; L183-V260 PolarHBondContact N-O 3.21Å; L183-V261 CarbonylContact O-C 3.55Å; L183-V261 WeakPolarHBondContact O-CA 3.4Å; L183-V262 PolarHBondContact O-N 3.43Å; L183-L285 HydrophobicContact CD2-CD1 4.38Å
184	V	98	Very high	82.5	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.5	172.3	-173.4	0	0	0	0	109.7	F73 L77 V186 V195 L199 L234 V235 A236 V262	F73-V184 HydrophobicContact CE2-CG1 4.23Å; F73-V184 HydrophobicContact CZ-CG1 4.49Å; L77-V184 HydrophobicContact CD2-CG2 3.38Å; V184-V186 HydrophobicContact CG1-CG1 4.18Å; V184-V195 HydrophobicContact CG1-CG1 4.06Å; V184-L199 HydrophobicContact CG2-CD1 4.27Å; V184-L234 PolarHBondContact N-O 3.05Å; V184-V235 HydrophobicContact CB-CB 4.39Å; V184-V235 HydrophobicContact CB-CG1 4.19Å; V184-V235 HydrophobicContact CB-CG2 4.11Å; V184-V235 HydrophobicContact CG1-CG1 4.37Å; V184-V235 HydrophobicContact CG2-CG2 4.28Å; V184-V235 CarbonylContact O-C 3.54Å; V184-V235 WeakPolarHBondContact O-CA 3.32Å; V184-A236 PolarHBondContact O-N 3.41Å; V184-V262 CarbonylContact C-O 3.49Å; V184-V262 HydrophobicContact CB-CB 4.23Å; V184-V262 HydrophobicContact CG1-CB 3.96Å; V184-V262 HydrophobicContact CG1-CG1 4.03Å; V184-V262 HydrophobicContact CG2-CB 4Å; V184-V262 HydrophobicContact CG2-CG2 4.16Å
185	L	96.2	Very high	85.1	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	129	176.6	-62.9	178.1	0	0	0	110.2	L183 A236 L241 V262 D264 M269 L278 I281 F282	L183-L185 HydrophobicContact CD1-CD2 4.17Å; L183-L185 HydrophobicContact CD2-CD2 4.15Å; L183-L185 HydrophobicContact CD2-CG 4.24Å; L183-L185 HydrophobicContact CG-CD2 4.2Å; L183-L185 HydrophobicContact CG-CG 4.25Å; L185-A236 WeakPolarHBondContact CA-O 3.49Å; L185-L241 HydrophobicContact CD2-CD2 3.56Å; L185-V262 PolarHBondContact N-O 3.15Å; L185-D264 PolarHBondContact O-N 2.93Å; L185-M269 HydrophobicContact CB-SD 4.18Å; L185-L278 HydrophobicContact CD1-CD1 3.88Å; L185-I281 HydrophobicContact CD1-CG2 4.45Å; L185-F282 HydrophobicContact CD1-CE2 3.72Å; L185-F282 HydrophobicContact CD1-CZ 4.26Å
186	V	92.8	Very high	87.4	Confident	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.			trans	-135.2	146	-179.5	-68.1	0	0	0	0	110.4	V184 L191 A192 V195 V235 A236 T237 P238 D264	V184-V186 HydrophobicContact CG1-CG1 4.18Å; V186-L191 HydrophobicContact CB-CB 4.39Å; V186-L191 HydrophobicContact CB-CD2 4.02Å; V186-L191 HydrophobicContact CB-CG 4.13Å; V186-L191 HydrophobicContact CG1-CD2 3.99Å; V186-L191 HydrophobicContact CG1-CG 3.93Å; V186-A192 HydrophobicContact CG2-CB 3.45Å; V186-A192 VanDerWaalsContact CG2-CB 3.45Å; V186-V195 HydrophobicContact CG1-CG2 4.29Å; V186-V235 HydrophobicContact CG2-CG1 4.3Å; V186-A236 PolarHBondContact N-O 3.04Å; V186-T237 WeakPolarHBondContact O-CA 3.22Å; V186-P238 WeakPolarHBondContact O-CD 3.45Å; V186-D264 HydrophobicContact CG1-CB 4.21Å
187	P	87.6	Confident	89.3	Confident	8 Å²	8	22.9 Å²	22.9	5%	0.052	10%	0.101	C	C	.	.	S	Bend	trans	-70	-32.5	-178.8	26.1	-36.8	0	0	0	113.6	L191 D264 E265 R268 M269	P187-L191 HydrophobicContact CG-CD2 4.39Å; P187-D264 WeakPolarHBondContact CD-O 3.49Å; P187-E265 HydrophobicContact CG-CB 3.61Å; P187-E265 HydrophobicContact CG-CG 4.32Å; P187-R268 HydrophobicContact CB-CB 4.04Å; P187-R268 HydrophobicContact CG-CB 4.11Å; P187-M269 HydrophobicContact CB-CG 3.88Å; P187-M269 HydrophobicContact CG-CG 4.44Å
188	T	84.8	Confident	90.5	Very high	12 Å²	12	18.3 Å²	18.3	7%	0.074	9%	0.086	C	C	.	.	S	Bend	trans	-121.9	152.5	-172.8	68.7	0	0	0	0	112.9	E190 L191 A192 R527	T188-E190 VanDerWaalsContact C-N 3.34Å; T188-L191 WeakPolarHBondContact OG1-CB 3.45Å; T188-L191 PolarHBondContact OG1-N 2.94Å; T188-A192 PolarHBondContact O-N 3.3Å; T188-A192 VanDerWaalsContact O-N 3.07Å; T188-R527 HydrophobicContact CG2-CB 3.83Å; T188-R527 PolarHBondContact OG1-O 2.96Å
189	R	84.1	Confident	91.1	Very high	32 Å²	32	16.8 Å²	16.8	12%	0.121	8%	0.078	C	C	.	.	H	α-helix	trans	-65.1	-37.7	178.2	170.6	166.2	175.2	-175.6	-4.1	112.7	L191 A192 I193 V215 G216 G217 I218 Q501	R189-L191 VanDerWaalsContact C-N 3.34Å; R189-A192 WeakPolarHBondContact O-CB 3.45Å; R189-A192 PolarHBondContact O-N 2.89Å; R189-I193 HydrophobicContact CG-CD1 4.1Å; R189-I193 WeakPolarHBondContact O-CG1 3.37Å; R189-I193 PolarHBondContact O-N 2.71Å; R189-V215 HydrophobicContact CB-CB 4.06Å; R189-V215 HydrophobicContact CB-CG1 4.2Å; R189-V215 HydrophobicContact CB-CG2 4.48Å; R189-V215 HydrophobicContact CG-CB 3.8Å; R189-V215 HydrophobicContact CG-CG1 4.03Å; R189-V215 HydrophobicContact CG-CG2 3.68Å; R189-G216 WeakPolarHBondContact CD-O 3.26Å; R189-G216 PolarHBondContact NH1-O 3.26Å; R189-G216 VanDerWaalsContact NH1-O 3.13Å; R189-G217 PolarHBondContact NH1-O 2.91Å; R189-I218 VanDerWaalsContact NH1-CG1 3.28Å; R189-I218 VanDerWaalsContact NH2-CD1 3.31Å; R189-Q501 VanDerWaalsContact CZ-CD 3.45Å; R189-Q501 VanDerWaalsContact NE-CG 3.28Å
190	E	82.1	Confident	91.3	Very high	18 Å²	18	20.3 Å²	20.3	8%	0.084	9%	0.091	C	C	.	.	H	α-helix	trans	-64.7	-45.4	-179	-64.6	63.8	-124.2	0	0	109.8	T188 A192 I193 Q194 Q501 R504 L529	T188-E190 VanDerWaalsContact C-N 3.34Å; E190-A192 VanDerWaalsContact C-N 3.29Å; E190-A192 PolarHBondContact O-N 3.36Å; E190-I193 PolarHBondContact O-N 2.8Å; E190-Q194 WeakPolarHBondContact O-CB 3.45Å; E190-Q194 PolarHBondContact O-N 3.07Å; E190-Q501 PolarHBondContact OE1-NE2 2.84Å; E190-Q501 PolarHBondContact OE1-OE1 2.83Å; E190-R504 VanDerWaalsContact CD-NH1 3.3Å; E190-R504 IonicContact OE1-CZ 3.45Å; E190-R504 IonicContact OE1-NE 3.56Å; E190-R504 IonicContact OE1-NH1 3.37Å; E190-R504 PolarHBondContact OE1-NH1 3.28Å; E190-R504 IonicContact OE1-NH2 3.05Å; E190-R504 PolarHBondContact OE1-NH2 2.9Å; E190-R504 VanDerWaalsContact OE1-NH2 3.12Å; E190-R504 IonicContact OE2-CZ 3.05Å; E190-R504 IonicContact OE2-NH1 3.66Å; E190-R504 PolarHBondContact OE2-NH1 3.49Å; E190-R504 IonicContact OE2-NH2 2.69Å; E190-R504 PolarHBondContact OE2-NH2 3.33Å; E190-L529 HydrophobicContact CB-CD2 3.9Å; E190-L529 HydrophobicContact CG-CD2 3.82Å
191	L	86.2	Confident	91.1	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.026	11%	0.107	C	C	.	.	H	α-helix	trans	-61.6	-39.7	174.5	-172.9	57.3	0	0	0	111.3	V186 P187 T188 R189 I193 Q194 V195 E265	V186-L191 HydrophobicContact CB-CB 4.39Å; V186-L191 HydrophobicContact CB-CD2 4.02Å; V186-L191 HydrophobicContact CB-CG 4.13Å; V186-L191 HydrophobicContact CG1-CD2 3.99Å; V186-L191 HydrophobicContact CG1-CG 3.93Å; P187-L191 HydrophobicContact CG-CD2 4.39Å; T188-L191 WeakPolarHBondContact OG1-CB 3.45Å; T188-L191 PolarHBondContact OG1-N 2.94Å; R189-L191 VanDerWaalsContact C-N 3.34Å; L191-I193 VanDerWaalsContact C-N 3.34Å; L191-I193 PolarHBondContact O-N 3.41Å; L191-Q194 PolarHBondContact O-N 3.16Å; L191-V195 HydrophobicContact CD1-CG2 4Å; L191-V195 HydrophobicContact CG-CG2 4.16Å; L191-V195 WeakPolarHBondContact O-CB 3.35Å; L191-V195 VanDerWaalsContact O-CG2 3.25Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 2.85Å; L191-E265 HydrophobicContact CD2-CB 4.27Å; L191-E265 HydrophobicContact CD2-CG 3.5Å
192	A	91.1	Very high	91	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.2	-44.9	177.1	0	0	0	0	0	112.4	V186 T188 R189 E190 T196 T213 V215 V235	V186-A192 HydrophobicContact CG2-CB 3.45Å; V186-A192 VanDerWaalsContact CG2-CB 3.45Å; T188-A192 PolarHBondContact O-N 3.3Å; T188-A192 VanDerWaalsContact O-N 3.07Å; R189-A192 WeakPolarHBondContact O-CB 3.45Å; R189-A192 PolarHBondContact O-N 2.89Å; E190-A192 VanDerWaalsContact C-N 3.29Å; E190-A192 PolarHBondContact O-N 3.36Å; A192-T196 WeakPolarHBondContact O-CB 3.28Å; A192-T196 PolarHBondContact O-N 2.83Å; A192-T196 PolarHBondContact O-OG1 3.33Å; A192-T213 HydrophobicContact CB-CG2 3.45Å; A192-T213 VanDerWaalsContact CB-CG2 3.45Å; A192-V215 HydrophobicContact CB-CG1 3.53Å; A192-V235 HydrophobicContact CB-CG1 4.02Å
193	I	88	Confident	90.9	Very high	39 Å²	39	22.7 Å²	22.7	20%	0.2	11%	0.109	C	C	.	.	H	α-helix	trans	-65.2	-45.7	177.4	-66.3	166.7	0	0	0	109.8	R189 E190 L191 T196 Q197 L505	R189-I193 HydrophobicContact CG-CD1 4.1Å; R189-I193 WeakPolarHBondContact O-CG1 3.37Å; R189-I193 PolarHBondContact O-N 2.71Å; E190-I193 PolarHBondContact O-N 2.8Å; L191-I193 VanDerWaalsContact C-N 3.34Å; L191-I193 PolarHBondContact O-N 3.41Å; I193-T196 WeakPolarHBondContact O-CB 3.44Å; I193-T196 PolarHBondContact O-N 3.29Å; I193-Q197 WeakPolarHBondContact O-CG 3.31Å; I193-Q197 PolarHBondContact O-N 2.92Å; I193-L505 HydrophobicContact CD1-CD2 4.34Å
194	Q	85.7	Confident	90.6	Very high	23 Å²	23	29 Å²	29	11%	0.107	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-49.9	179.1	-171.1	-162	-17.9	0	0	112	E190 L191 T196 Q197 H198 G528 D530	E190-Q194 WeakPolarHBondContact O-CB 3.45Å; E190-Q194 PolarHBondContact O-N 3.07Å; L191-Q194 PolarHBondContact O-N 3.16Å; Q194-T196 VanDerWaalsContact C-N 3.26Å; Q194-T196 PolarHBondContact O-N 3.5Å; Q194-Q197 WeakPolarHBondContact O-CB 3.36Å; Q194-Q197 PolarHBondContact O-N 3.31Å; Q194-Q197 VanDerWaalsContact O-N 3.12Å; Q194-H198 PolarHBondContact NE2-CE1 3.37Å; Q194-H198 PolarHBondContact O-CD2 2.81Å; Q194-H198 PolarHBondContact O-N 2.89Å; Q194-G528 PolarHBondContact OE1-O 2.91Å; Q194-D530 HydrophobicContact CG-CB 4.28Å; Q194-D530 PolarHBondContact NE2-OD2 3.12Å; Q194-D530 VanDerWaalsContact NE2-OD2 3.09Å
195	V	92	Very high	90.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.6	-43.2	176.8	170.4	0	0	0	0	110	T70 F73 V184 V186 L191 Q197 H198 L199 V235	T70-V195 HydrophobicContact CG2-CB 4.44Å; T70-V195 HydrophobicContact CG2-CG1 4.41Å; T70-V195 HydrophobicContact CG2-CG2 4Å; F73-V195 HydrophobicContact CE2-CG1 4.07Å; F73-V195 HydrophobicContact CZ-CG1 4.17Å; F73-V195 HydrophobicContact CZ-CG2 4.22Å; V184-V195 HydrophobicContact CG1-CG1 4.06Å; V186-V195 HydrophobicContact CG1-CG2 4.29Å; L191-V195 HydrophobicContact CD1-CG2 4Å; L191-V195 HydrophobicContact CG-CG2 4.16Å; L191-V195 WeakPolarHBondContact O-CB 3.35Å; L191-V195 VanDerWaalsContact O-CG2 3.25Å; L191-V195 WeakPolarHBondContact O-CG2 3.34Å; L191-V195 PolarHBondContact O-N 2.85Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 3.44Å; V195-H198 PolarHBondContact O-N 3.06Å; V195-L199 HydrophobicContact CG1-CD1 3.94Å; V195-L199 HydrophobicContact CG1-CG 4.18Å; V195-L199 VanDerWaalsContact O-CG 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.26Å; V195-L199 PolarHBondContact O-N 3.38Å; V195-V235 HydrophobicContact CB-CG1 4.22Å; V195-V235 HydrophobicContact CG1-CG1 4.12Å; V195-V235 HydrophobicContact CG1-CG2 4.17Å
196	T	93.7	Very high	90.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-42.3	176.6	-58.7	0	0	0	0	112	A192 I193 Q194 L199 R200 I211 T213 V235	A192-T196 WeakPolarHBondContact O-CB 3.28Å; A192-T196 PolarHBondContact O-N 2.83Å; A192-T196 PolarHBondContact O-OG1 3.33Å; I193-T196 WeakPolarHBondContact O-CB 3.44Å; I193-T196 PolarHBondContact O-N 3.29Å; Q194-T196 VanDerWaalsContact C-N 3.26Å; Q194-T196 PolarHBondContact O-N 3.5Å; T196-L199 PolarHBondContact O-N 3.14Å; T196-R200 HydrophobicContact CG2-CG 4.48Å; T196-R200 WeakPolarHBondContact O-CB 3.33Å; T196-R200 VanDerWaalsContact O-CG 3.29Å; T196-R200 WeakPolarHBondContact O-CG 3.46Å; T196-R200 PolarHBondContact O-N 3.49Å; T196-I211 HydrophobicContact CG2-CG2 4.11Å; T196-T213 WeakPolarHBondContact CB-OG1 3.41Å; T196-T213 WeakPolarHBondContact CG2-OG1 3.31Å; T196-T213 PolarHBondContact OG1-OG1 2.95Å; T196-V235 WeakPolarHBondContact OG1-CB 3.35Å; T196-V235 WeakPolarHBondContact OG1-CG2 3.4Å
197	Q	90.4	Very high	89.9	Confident	116 Å²	116	38.9 Å²	38.9	54%	0.542	18%	0.184	S	C	.	.	H	α-helix	trans	-62.5	-45	175.6	-72.2	169.8	-20	0	0	111.6	I193 Q194 V195 R200 A201	I193-Q197 WeakPolarHBondContact O-CG 3.31Å; I193-Q197 PolarHBondContact O-N 2.92Å; Q194-Q197 WeakPolarHBondContact O-CB 3.36Å; Q194-Q197 PolarHBondContact O-N 3.31Å; Q194-Q197 VanDerWaalsContact O-N 3.12Å; V195-Q197 VanDerWaalsContact C-N 3.32Å; V195-Q197 PolarHBondContact O-N 3.44Å; Q197-R200 PolarHBondContact O-N 3.27Å; Q197-A201 WeakPolarHBondContact O-CB 3.43Å; Q197-A201 PolarHBondContact O-N 3.22Å
198	H	91.1	Very high	90	Very high	56 Å²	56	42.6 Å²	42.6	26%	0.259	20%	0.198	S	C	.	.	H	α-helix	trans	-62.8	-44.1	177.5	-69.1	-173.2	0	0	0	112.1	T70 Q194 V195 R200 A201 L202	T70-H198 HydrophobicContact CG2-CB 3.81Å; T70-H198 VanDerWaalsContact CG2-ND1 3.31Å; T70-H198 WeakPolarHBondContact CG2-ND1 3.48Å; Q194-H198 PolarHBondContact NE2-CE1 3.37Å; Q194-H198 PolarHBondContact O-CD2 2.81Å; Q194-H198 PolarHBondContact O-N 2.89Å; V195-H198 PolarHBondContact O-N 3.06Å; H198-R200 PolarHBondContact O-N 3.23Å; H198-A201 WeakPolarHBondContact O-CB 3.42Å; H198-A201 PolarHBondContact O-N 2.93Å; H198-L202 PolarHBondContact O-N 3.45Å
199	L	94.8	Very high	90.4	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-38.2	177.3	-62.9	176.8	0	0	0	111.7	L77 V78 V184 V195 T196 A201 L202 M203 I211 I233 V235	L77-L199 HydrophobicContact CD2-CD1 4.01Å; L77-L199 HydrophobicContact CD2-CD2 4.18Å; V78-L199 HydrophobicContact CG1-CB 4.49Å; V78-L199 HydrophobicContact CG1-CD2 3.91Å; V184-L199 HydrophobicContact CG2-CD1 4.27Å; V195-L199 HydrophobicContact CG1-CD1 3.94Å; V195-L199 HydrophobicContact CG1-CG 4.18Å; V195-L199 VanDerWaalsContact O-CG 3.28Å; V195-L199 WeakPolarHBondContact O-CG 3.26Å; V195-L199 PolarHBondContact O-N 3.38Å; T196-L199 PolarHBondContact O-N 3.14Å; L199-A201 VanDerWaalsContact C-N 3.34Å; L199-L202 HydrophobicContact CD2-CD1 4.49Å; L199-L202 PolarHBondContact O-N 2.53Å; L199-M203 WeakPolarHBondContact O-CG 3.42Å; L199-M203 PolarHBondContact O-N 3.34Å; L199-I211 HydrophobicContact CB-CD1 3.85Å; L199-I211 HydrophobicContact CB-CG2 4.41Å; L199-I211 HydrophobicContact CD1-CG2 4.43Å; L199-I233 HydrophobicContact CD1-CG2 4.18Å; L199-V235 HydrophobicContact CD1-CG2 3.9Å
200	R	94.2	Very high	90.9	Very high	114 Å²	114	45 Å²	45	43%	0.43	21%	0.206	S	C	.	.	H	α-helix	trans	-65.8	-36.1	173.7	-75.1	175.6	-179.1	164.5	-1	112.3	T196 Q197 H198 M203 K204 I211 E212	T196-R200 HydrophobicContact CG2-CG 4.48Å; T196-R200 WeakPolarHBondContact O-CB 3.33Å; T196-R200 VanDerWaalsContact O-CG 3.29Å; T196-R200 WeakPolarHBondContact O-CG 3.46Å; T196-R200 PolarHBondContact O-N 3.49Å; Q197-R200 PolarHBondContact O-N 3.27Å; H198-R200 PolarHBondContact O-N 3.23Å; R200-M203 CarbonylContact O-C 3.59Å; R200-M203 PolarHBondContact O-N 2.84Å; R200-K204 PolarHBondContact O-N 3.35Å; R200-K204 VanDerWaalsContact O-N 3.1Å; R200-I211 HydrophobicContact CG-CB 4.26Å; R200-I211 HydrophobicContact CG-CD1 4.16Å; R200-I211 PolarHBondContact NE-O 3.34Å; R200-I211 PolarHBondContact NH2-O 3.21Å; R200-E212 IonicContact NH2-OE2 3.84Å; R200-E212 PolarHBondContact NH2-OE2 3.07Å
201	A	91	Very high	91.6	Very high	39 Å²	39	44.5 Å²	44.5	32%	0.322	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-43.6	174.3	0	0	0	0	0	111.3	A32 Q197 H198 L199 M203 K204	A32-A201 WeakPolarHBondContact CB-O 3.46Å; Q197-A201 WeakPolarHBondContact O-CB 3.43Å; Q197-A201 PolarHBondContact O-N 3.22Å; H198-A201 WeakPolarHBondContact O-CB 3.42Å; H198-A201 PolarHBondContact O-N 2.93Å; L199-A201 VanDerWaalsContact C-N 3.34Å; A201-M203 PolarHBondContact O-N 3.49Å; A201-K204 VanDerWaalsContact O-CB 3.29Å; A201-K204 WeakPolarHBondContact O-CB 3.13Å; A201-K204 PolarHBondContact O-N 2.93Å
202	L	93	Very high	92.1	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-34.2	173.1	-69.1	176.2	0	0	0	112.8	I29 L33 L71 I75 V78 H198 L199	I29-L202 HydrophobicContact CG2-CD2 4.2Å; L33-L202 HydrophobicContact CD2-CD2 3.83Å; L33-L202 HydrophobicContact CG-CD2 4.28Å; L71-L202 HydrophobicContact CD2-CD1 3.87Å; L71-L202 HydrophobicContact CD2-CD2 4.03Å; L71-L202 HydrophobicContact CD2-CG 4.03Å; I75-L202 HydrophobicContact CG1-CD1 4Å; I75-L202 HydrophobicContact CG1-CD2 4.15Å; V78-L202 HydrophobicContact CG2-CB 4.38Å; V78-L202 HydrophobicContact CG2-CD1 4.34Å; H198-L202 PolarHBondContact O-N 3.45Å; L199-L202 HydrophobicContact CD2-CD1 4.49Å; L199-L202 PolarHBondContact O-N 2.53Å
203	M	94.2	Very high	92.3	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.044	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	16.4	-179.1	-60.9	-53.4	-80.5	0	0	113.9	Y28 V78 F82 L199 R200 A201 Y205 V206 I209 I211	Y28-M203 HydrophobicContact CD2-SD 4.49Å; Y28-M203 HydrophobicContact CE2-CE 4.32Å; Y28-M203 HydrophobicContact CE2-SD 3.74Å; V78-M203 HydrophobicContact CB-CG 4.12Å; V78-M203 HydrophobicContact CB-SD 3.59Å; V78-M203 VanDerWaalsContact CB-SD 3.59Å; V78-M203 HydrophobicContact CG1-CG 3.99Å; V78-M203 HydrophobicContact CG1-SD 4.14Å; V78-M203 HydrophobicContact CG2-SD 3.86Å; F82-M203 HydrophobicContact CD2-CE 4.36Å; L199-M203 WeakPolarHBondContact O-CG 3.42Å; L199-M203 PolarHBondContact O-N 3.34Å; R200-M203 CarbonylContact O-C 3.59Å; R200-M203 PolarHBondContact O-N 2.84Å; A201-M203 PolarHBondContact O-N 3.49Å; M203-Y205 PolarHBondContact O-N 2.69Å; M203-V206 HydrophobicContact CE-CB 3.62Å; M203-V206 HydrophobicContact CE-CG1 3.64Å; M203-V206 HydrophobicContact CE-CG2 4.02Å; M203-V206 CarbonylContact O-C 3.55Å; M203-V206 PolarHBondContact O-N 3.11Å; M203-I209 HydrophobicContact CE-CB 3.89Å; M203-I209 HydrophobicContact CE-CD1 3.37Å; M203-I209 HydrophobicContact CE-CG1 4.14Å; M203-I209 HydrophobicContact CE-CG2 4.06Å; M203-I211 HydrophobicContact CB-CD1 4.27Å; M203-I211 HydrophobicContact CG-CD1 3.95Å
204	K	91.5	Very high	92.6	Very high	132 Å²	132	44.5 Å²	44.5	57%	0.574	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-33.5	-178.8	-179.4	-179.1	178.4	-172.3	0	113.8	D35 R200 A201	D35-K204 WeakPolarHBondContact OD2-CE 3.4Å; D35-K204 IonicContact OD2-NZ 3.91Å; D35-K204 PolarHBondContact OD2-NZ 2.91Å; R200-K204 PolarHBondContact O-N 3.35Å; R200-K204 VanDerWaalsContact O-N 3.1Å; A201-K204 VanDerWaalsContact O-CB 3.29Å; A201-K204 WeakPolarHBondContact O-CB 3.13Å; A201-K204 PolarHBondContact O-N 2.93Å
205	Y	92.7	Very high	92.9	Very high	87 Å²	87	43.5 Å²	43.5	34%	0.341	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	1.5	-177.9	-65.4	-71.1	0	0	0	114.4	K31 A32 D35 M203	K31-Y205 HydrophobicContact CB-CD2 4.16Å; K31-Y205 HydrophobicContact CB-CE2 3.86Å; K31-Y205 HydrophobicContact CD-CD1 4.17Å; K31-Y205 HydrophobicContact CD-CD2 4.04Å; K31-Y205 HydrophobicContact CD-CE1 3.75Å; K31-Y205 HydrophobicContact CD-CE2 3.63Å; K31-Y205 HydrophobicContact CD-CG 4.29Å; K31-Y205 VanDerWaalsContact CD-CZ 3.45Å; K31-Y205 VanDerWaalsContact CE-CZ 3.4Å; K31-Y205 VanDerWaalsContact CE-OH 3.31Å; K31-Y205 WeakPolarHBondContact CE-OH 3.33Å; K31-Y205 HydrophobicContact CG-CD2 4.18Å; K31-Y205 HydrophobicContact CG-CE1 4.43Å; K31-Y205 HydrophobicContact CG-CE2 3.5Å; K31-Y205 VanDerWaalsContact CG-CE2 3.5Å; A32-Y205 HydrophobicContact CB-CD2 4.21Å; A32-Y205 HydrophobicContact CB-CE2 4.34Å; D35-Y205 PolarHBondContact OD1-OH 3.15Å; D35-Y205 WeakPolarHBondContact OD2-CE2 3.34Å; D35-Y205 VanDerWaalsContact OD2-CZ 3.24Å; D35-Y205 PolarHBondContact OD2-OH 2.89Å; M203-Y205 PolarHBondContact O-N 2.69Å
206	V	92.6	Very high	92.6	Very high	12 Å²	12	45 Å²	45	7%	0.073	22%	0.215	C	C	.	.			trans	-127.8	107.3	-177.5	-179.5	0	0	0	0	109.1	Y28 F82 M203 Y208 I209	Y28-V206 HydrophobicContact CD2-CG2 3.72Å; Y28-V206 HydrophobicContact CE2-CG2 4.08Å; Y28-V206 HydrophobicContact CG-CG2 4.01Å; F82-V206 HydrophobicContact CD2-CG1 3.88Å; F82-V206 HydrophobicContact CD2-CG2 4.03Å; F82-V206 HydrophobicContact CE2-CG1 3.92Å; F82-V206 HydrophobicContact CE2-CG2 3.74Å; M203-V206 HydrophobicContact CE-CB 3.62Å; M203-V206 HydrophobicContact CE-CG1 3.64Å; M203-V206 HydrophobicContact CE-CG2 4.02Å; M203-V206 CarbonylContact O-C 3.55Å; M203-V206 PolarHBondContact O-N 3.11Å; V206-Y208 HydrophobicContact CG1-CD1 3.81Å; V206-Y208 HydrophobicContact CG1-CE1 3.51Å; V206-Y208 HydrophobicContact CG1-CE2 4.41Å; V206-Y208 HydrophobicContact CG1-CG 4.4Å; V206-I209 HydrophobicContact CG1-CB 4.38Å; V206-I209 HydrophobicContact CG1-CD1 4.01Å; V206-I209 HydrophobicContact CG1-CG1 4.18Å
207	D	88.2	Confident	92	Very high	109 Å²	109	48 Å²	48	58%	0.583	25%	0.246	S	C	*	.			trans	-98.4	-10.7	-170.8	61.2	-0.3	0	0	0	115.3	R122	R122-D207 IonicContact CZ-OD2 3.58Å; R122-D207 IonicContact NH1-OD2 3.04Å; R122-D207 PolarHBondContact NH1-OD2 3.1Å; R122-D207 IonicContact NH2-OD2 3.27Å; R122-D207 PolarHBondContact NH2-OD2 3.15Å
208	Y	89.6	Confident	91.7	Very high	87 Å²	87	44.2 Å²	44.2	34%	0.341	23%	0.23	S	C	.	.	S	Bend	trans	-86.6	-5.2	178.3	64.3	-91.3	0	0	0	113.7	F82 K85 T86 V206	F82-Y208 VanDerWaalsContact CD2-OH 3.31Å; F82-Y208 WeakPolarHBondContact CD2-OH 3.41Å; F82-Y208 HydrophobicContact CE2-CE1 4.22Å; F82-Y208 AromaticContact CE2-CZ 3.77Å; F82-Y208 WeakPolarHBondContact CE2-OH 3.33Å; F82-Y208 WeakPolarHBondContact CZ-OH 3.41Å; K85-Y208 HydrophobicContact CB-CE2 4.43Å; K85-Y208 HydrophobicContact CD-CD2 3.87Å; K85-Y208 HydrophobicContact CD-CE2 4.15Å; K85-Y208 HydrophobicContact CG-CD2 4.26Å; K85-Y208 HydrophobicContact CG-CE2 4.18Å; K85-Y208 PolarHBondContact NZ-O 3.43Å; T86-Y208 PolarHBondContact OG1-OH 3.01Å; V206-Y208 HydrophobicContact CG1-CD1 3.81Å; V206-Y208 HydrophobicContact CG1-CE1 3.51Å; V206-Y208 HydrophobicContact CG1-CE2 4.41Å; V206-Y208 HydrophobicContact CG1-CG 4.4Å
209	I	93.4	Very high	91.5	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.062	24%	0.239	C	C	.	.			trans	-98.6	117.7	176.2	-70.8	173.1	0	0	0	109.8	V81 F82 K85 M203 V206 I211 D232 I233	V81-I209 HydrophobicContact CG1-CD1 4.42Å; V81-I209 HydrophobicContact CG1-CG2 4.37Å; F82-I209 HydrophobicContact CB-CD1 3.9Å; F82-I209 HydrophobicContact CD2-CD1 3.93Å; F82-I209 HydrophobicContact CG-CD1 4.39Å; K85-I209 HydrophobicContact CD-CG1 4.01Å; M203-I209 HydrophobicContact CE-CB 3.89Å; M203-I209 HydrophobicContact CE-CD1 3.37Å; M203-I209 HydrophobicContact CE-CG1 4.14Å; M203-I209 HydrophobicContact CE-CG2 4.06Å; V206-I209 HydrophobicContact CG1-CB 4.38Å; V206-I209 HydrophobicContact CG1-CD1 4.01Å; V206-I209 HydrophobicContact CG1-CG1 4.18Å; I209-I211 HydrophobicContact CG2-CG1 4.3Å; I209-D232 HydrophobicContact CG2-CB 4.39Å; I209-I233 HydrophobicContact CG2-CD1 4.19Å; I209-I233 HydrophobicContact CG2-CG1 4.39Å
210	R	94.5	Very high	91.4	Very high	81 Å²	81	47.4 Å²	47.4	31%	0.306	26%	0.256	S	S	.	.			trans	-97	124.9	-175.2	-63.7	166.3	-68.5	-166.1	-2.6	109.6	N178 R229 C230 D232 I233	N178-R210 PolarHBondContact OD1-NH2 3.1Å; R210-R229 VanDerWaalsContact CD-O 3.29Å; R210-R229 WeakPolarHBondContact CD-O 3.13Å; R210-R229 PolarHBondContact NE-O 3.4Å; R210-R229 PolarHBondContact NH1-O 3.25Å; R210-C230 PolarHBondContact NE-O 2.99Å; R210-C230 PolarHBondContact NH2-O 2.91Å; R210-D232 WeakPolarHBondContact CB-OD2 3.43Å; R210-D232 PolarHBondContact N-OD2 3.25Å; R210-D232 IonicContact NE-OD2 3.27Å; R210-D232 PolarHBondContact NE-OD2 3.25Å; R210-D232 IonicContact NH2-OD1 3.74Å; R210-D232 IonicContact NH2-OD2 2.86Å; R210-D232 PolarHBondContact O-N 2.77Å; R210-I233 PolarHBondContact O-N 3.14Å
211	I	96.3	Very high	91.3	Very high	9 Å²	9	47 Å²	47	5%	0.046	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120	179.6	-49.1	173	0	0	0	107.6	T196 L199 R200 M203 I209 I233	T196-I211 HydrophobicContact CG2-CG2 4.11Å; L199-I211 HydrophobicContact CB-CD1 3.85Å; L199-I211 HydrophobicContact CB-CG2 4.41Å; L199-I211 HydrophobicContact CD1-CG2 4.43Å; R200-I211 HydrophobicContact CG-CB 4.26Å; R200-I211 HydrophobicContact CG-CD1 4.16Å; R200-I211 PolarHBondContact NE-O 3.34Å; R200-I211 PolarHBondContact NH2-O 3.21Å; M203-I211 HydrophobicContact CB-CD1 4.27Å; M203-I211 HydrophobicContact CG-CD1 3.95Å; I209-I211 HydrophobicContact CG2-CG1 4.3Å; I211-I233 WeakPolarHBondContact CA-O 3.18Å; I211-I233 HydrophobicContact CB-CB 4.47Å; I211-I233 HydrophobicContact CD1-CD1 4.43Å; I211-I233 HydrophobicContact CG1-CB 4.11Å; I211-I233 HydrophobicContact CG1-CD1 4.27Å; I211-I233 HydrophobicContact CG1-CG1 4.48Å; I211-I233 HydrophobicContact CG2-CB 4.18Å; I211-I233 HydrophobicContact CG2-CG2 4.24Å
212	E	95.8	Very high	91.2	Very high	23 Å²	23	49 Å²	49	11%	0.107	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	161	178.6	-66.7	-69.7	-170.8	0	0	111.9	R200 L226 R229 P231 I233 V235	R200-E212 IonicContact NH2-OE2 3.84Å; R200-E212 PolarHBondContact NH2-OE2 3.07Å; E212-L226 HydrophobicContact CG-CB 4.46Å; E212-R229 IonicContact OE1-NH1 3.19Å; E212-R229 PolarHBondContact OE1-NH1 2.99Å; E212-P231 HydrophobicContact CB-CB 3.8Å; E212-P231 HydrophobicContact CB-CG 4.13Å; E212-P231 HydrophobicContact CG-CB 3.91Å; E212-P231 HydrophobicContact CG-CG 4.4Å; E212-I233 PolarHBondContact N-O 2.88Å; E212-I233 VanDerWaalsContact N-O 3.12Å; E212-V235 PolarHBondContact O-N 3.05Å
213	T	95.3	Very high	91.2	Very high	19 Å²	19	48.9 Å²	48.9	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.6	-177	-33.1	0	0	0	0	111.8	A192 T196 V215 V235	A192-T213 HydrophobicContact CB-CG2 3.45Å; A192-T213 VanDerWaalsContact CB-CG2 3.45Å; T196-T213 WeakPolarHBondContact CB-OG1 3.41Å; T196-T213 WeakPolarHBondContact CG2-OG1 3.31Å; T196-T213 PolarHBondContact OG1-OG1 2.95Å; T213-V215 HydrophobicContact CG2-CG1 3.78Å; T213-V235 CarbonylContact C-O 3.48Å; T213-V235 WeakPolarHBondContact CA-O 3.4Å; T213-V235 HydrophobicContact CG2-CB 4.17Å; T213-V235 HydrophobicContact CG2-CG1 4.36Å; T213-V235 VanDerWaalsContact CG2-O 3.31Å; T213-V235 WeakPolarHBondContact CG2-O 3.25Å
214	I	94.6	Very high	91.1	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.6	176	-72.3	176.7	0	0	0	111.3	L227 L234 V235 A236 T237 R240 F244	I214-L227 HydrophobicContact CD1-CD1 3.73Å; I214-L227 HydrophobicContact CD1-CD2 3.37Å; I214-L227 HydrophobicContact CD1-CG 3.53Å; I214-L234 HydrophobicContact CB-CD1 4.17Å; I214-L234 HydrophobicContact CD1-CD1 3.5Å; I214-L234 VanDerWaalsContact CD1-CD1 3.5Å; I214-L234 HydrophobicContact CD1-CD2 4.1Å; I214-L234 HydrophobicContact CD1-CG 4.39Å; I214-L234 HydrophobicContact CG1-CD1 3.7Å; I214-V235 PolarHBondContact N-O 3.06Å; I214-A236 HydrophobicContact CB-CB 4.12Å; I214-A236 WeakPolarHBondContact O-CA 3.45Å; I214-A236 WeakPolarHBondContact O-CB 3.32Å; I214-T237 PolarHBondContact O-N 3.35Å; I214-R240 HydrophobicContact CG2-CB 4.17Å; I214-R240 HydrophobicContact CG2-CG 3.45Å; I214-R240 VanDerWaalsContact CG2-CG 3.45Å; I214-F244 HydrophobicContact CG2-CD2 3.77Å; I214-F244 HydrophobicContact CG2-CE2 3.86Å
215	V	92.2	Very high	91.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	28%	0.275	C	S	.	.			trans	-144.7	153.1	-168.7	-63.6	0	0	0	0	113.1	R189 A192 T213 I218 Q223 T237	R189-V215 HydrophobicContact CB-CB 4.06Å; R189-V215 HydrophobicContact CB-CG1 4.2Å; R189-V215 HydrophobicContact CB-CG2 4.48Å; R189-V215 HydrophobicContact CG-CB 3.8Å; R189-V215 HydrophobicContact CG-CG1 4.03Å; R189-V215 HydrophobicContact CG-CG2 3.68Å; A192-V215 HydrophobicContact CB-CG1 3.53Å; T213-V215 HydrophobicContact CG2-CG1 3.78Å; V215-I218 HydrophobicContact CG2-CD1 3.32Å; V215-I218 HydrophobicContact CG2-CG1 3.81Å; V215-Q223 PolarHBondContact O-NE2 2.95Å; V215-Q223 PolarHBondContact O-OE1 2.93Å; V215-T237 WeakPolarHBondContact CA-OG1 3.44Å; V215-T237 HydrophobicContact CB-CG2 4.42Å; V215-T237 HydrophobicContact CG1-CG2 4.06Å
216	G	85.1	Confident	91.1	Very high	32 Å²	32	50 Å²	50	33%	0.33	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	153	169.9	0	0	0	0	0	113.5	R189 I218 T237	R189-G216 WeakPolarHBondContact CD-O 3.26Å; R189-G216 PolarHBondContact NH1-O 3.26Å; R189-G216 VanDerWaalsContact NH1-O 3.13Å; G216-I218 VanDerWaalsContact C-N 3.27Å; G216-I218 PolarHBondContact O-N 2.72Å; G216-T237 PolarHBondContact N-OG1 3.36Å
217	G	80.9	Confident	91.1	Very high	64 Å²	64	49.5 Å²	49.5	66%	0.66	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	11.4	176.5	0	0	0	0	0	115.5	R189	R189-G217 PolarHBondContact NH1-O 2.91Å
218	I	84.9	Confident	91.2	Very high	37 Å²	37	52.4 Å²	52.4	19%	0.19	27%	0.267	C	S	.	.	S	Bend	trans	-104.5	145.1	162.1	-59.4	-179.5	0	0	0	107.6	R189 V215 G216 V220 K222 Q223 R240	R189-I218 VanDerWaalsContact NH1-CG1 3.28Å; R189-I218 VanDerWaalsContact NH2-CD1 3.31Å; V215-I218 HydrophobicContact CG2-CD1 3.32Å; V215-I218 HydrophobicContact CG2-CG1 3.81Å; G216-I218 VanDerWaalsContact C-N 3.27Å; G216-I218 PolarHBondContact O-N 2.72Å; I218-V220 PolarHBondContact O-N 3.4Å; I218-K222 HydrophobicContact CG2-CB 4.2Å; I218-K222 HydrophobicContact CG2-CD 4.03Å; I218-K222 HydrophobicContact CG2-CG 4.37Å; I218-Q223 HydrophobicContact CB-CG 4.24Å; I218-Q223 HydrophobicContact CG2-CG 3.97Å; I218-Q223 PolarHBondContact O-NE2 3.49Å; I218-R240 PolarHBondContact O-NH1 3.02Å
219	S	87.8	Confident	91.3	Very high	66 Å²	66	54.9 Å²	54.9	46%	0.462	28%	0.276	S	S	.	.			trans	-48.9	134	171.7	56.5	0	0	0	0	110.8	D221 K222 Q223	S219-D221 VanDerWaalsContact C-N 3.3Å; S219-D221 PolarHBondContact O-N 3.47Å; S219-K222 PolarHBondContact O-N 3.5Å; S219-K222 WeakPolarHBondContact OG-CB 3.39Å; S219-Q223 PolarHBondContact O-N 2.89Å
220	V	91.2	Very high	91.2	Very high	58 Å²	58	55.4 Å²	55.4	35%	0.352	28%	0.281	S	S	.	.	H	α-helix	trans	-58.9	-45.1	179.8	179.3	0	0	0	0	110	I218 K222 Q223 L224 F244	I218-V220 PolarHBondContact O-N 3.4Å; V220-K222 PolarHBondContact O-N 2.89Å; V220-Q223 PolarHBondContact O-N 3.25Å; V220-L224 PolarHBondContact O-N 3.36Å; V220-F244 HydrophobicContact CG1-CE1 3.63Å; V220-F244 HydrophobicContact CG1-CZ 3.84Å
221	D	92	Very high	91.3	Very high	106 Å²	106	51.6 Å²	51.6	57%	0.567	27%	0.266	S	S	*	.	H	α-helix	trans	-59.7	-41.9	-179	-54.5	-57.2	0	0	0	113.3	S219 Q223 L224 R225	S219-D221 VanDerWaalsContact C-N 3.3Å; S219-D221 PolarHBondContact O-N 3.47Å; D221-Q223 VanDerWaalsContact C-N 3.3Å; D221-Q223 PolarHBondContact O-N 3.33Å; D221-L224 PolarHBondContact O-N 3.5Å; D221-R225 WeakPolarHBondContact O-CG 3.28Å; D221-R225 PolarHBondContact O-N 3.09Å
222	K	89.6	Confident	91.3	Very high	81 Å²	81	51.1 Å²	51.1	35%	0.352	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-40.7	175.8	-175.7	175	179.2	173.1	0	111.3	Y129 I218 S219 V220 R225 L226	Y129-K222 PolarHBondContact OH-NZ 2.9Å; I218-K222 HydrophobicContact CG2-CB 4.2Å; I218-K222 HydrophobicContact CG2-CD 4.03Å; I218-K222 HydrophobicContact CG2-CG 4.37Å; S219-K222 PolarHBondContact O-N 3.5Å; S219-K222 WeakPolarHBondContact OG-CB 3.39Å; V220-K222 PolarHBondContact O-N 2.89Å; K222-R225 WeakPolarHBondContact O-CB 3.21Å; K222-R225 PolarHBondContact O-N 2.79Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 3.27Å
223	Q	93	Very high	91.3	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-73.8	-34.4	178.6	-73.9	-179.6	84.1	0	0	112.4	V215 I218 S219 V220 D221 R225 L226 L227 F244	V215-Q223 PolarHBondContact O-NE2 2.95Å; V215-Q223 PolarHBondContact O-OE1 2.93Å; I218-Q223 HydrophobicContact CB-CG 4.24Å; I218-Q223 HydrophobicContact CG2-CG 3.97Å; I218-Q223 PolarHBondContact O-NE2 3.49Å; S219-Q223 PolarHBondContact O-N 2.89Å; V220-Q223 PolarHBondContact O-N 3.25Å; D221-Q223 VanDerWaalsContact C-N 3.3Å; D221-Q223 PolarHBondContact O-N 3.33Å; Q223-R225 VanDerWaalsContact C-N 3.26Å; Q223-R225 PolarHBondContact O-N 2.86Å; Q223-L226 WeakPolarHBondContact O-CB 3.34Å; Q223-L226 PolarHBondContact O-N 3.09Å; Q223-L227 PolarHBondContact O-N 3.12Å; Q223-F244 HydrophobicContact CB-CE2 3.95Å; Q223-F244 HydrophobicContact CB-CZ 3.77Å
224	L	93	Very high	91.5	Very high	45 Å²	45	49.1 Å²	49.1	24%	0.236	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-38.2	171.7	-172.2	62.7	0	0	0	111.1	V220 D221 L226 L227 R228 E249	V220-L224 PolarHBondContact O-N 3.36Å; D221-L224 PolarHBondContact O-N 3.5Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 2.87Å; L224-L227 PolarHBondContact O-N 2.92Å; L224-R228 VanDerWaalsContact O-CG 3.28Å; L224-R228 WeakPolarHBondContact O-CG 3.37Å; L224-R228 PolarHBondContact O-N 3.4Å; L224-E249 HydrophobicContact CD1-CG 4.02Å
225	R	92	Very high	91.6	Very high	171 Å²	171	49 Å²	49	65%	0.645	25%	0.253	S	S	*	.	H	α-helix	trans	-63.6	-36.3	172.1	-67	173.2	-168.5	178.5	2.6	113	D221 K222 Q223	D221-R225 WeakPolarHBondContact O-CG 3.28Å; D221-R225 PolarHBondContact O-N 3.09Å; K222-R225 WeakPolarHBondContact O-CB 3.21Å; K222-R225 PolarHBondContact O-N 2.79Å; Q223-R225 VanDerWaalsContact C-N 3.26Å; Q223-R225 PolarHBondContact O-N 2.86Å
226	L	91.4	Very high	91.8	Very high	35 Å²	35	49 Å²	49	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-69.1	-41.4	174.9	-62.7	174.7	0	0	0	111.3	E212 K222 Q223 L224 R228 R229	E212-L226 HydrophobicContact CG-CB 4.46Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 3.27Å; Q223-L226 WeakPolarHBondContact O-CB 3.34Å; Q223-L226 PolarHBondContact O-N 3.09Å; L224-L226 VanDerWaalsContact C-N 3.34Å; L224-L226 PolarHBondContact O-N 2.87Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 2.7Å; L226-R229 VanDerWaalsContact O-CB 3.31Å; L226-R229 WeakPolarHBondContact O-CB 3.31Å; L226-R229 PolarHBondContact O-N 2.71Å; L226-R229 VanDerWaalsContact O-N 3.11Å
227	L	92.7	Very high	92.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-39.5	175.5	-81	172.6	0	0	0	112.8	I214 Q223 L224 R229 C230 P231 F244 E249 L252	I214-L227 HydrophobicContact CD1-CD1 3.73Å; I214-L227 HydrophobicContact CD1-CD2 3.37Å; I214-L227 HydrophobicContact CD1-CG 3.53Å; Q223-L227 PolarHBondContact O-N 3.12Å; L224-L227 PolarHBondContact O-N 2.92Å; L227-R229 PolarHBondContact O-N 3.36Å; L227-R229 VanDerWaalsContact O-N 3.07Å; L227-C230 WeakPolarHBondContact O-CA 3.48Å; L227-C230 PolarHBondContact O-N 2.88Å; L227-P231 HydrophobicContact CD2-CG 4.48Å; L227-P231 WeakPolarHBondContact O-CD 3.45Å; L227-F244 HydrophobicContact CD1-CD1 4.33Å; L227-F244 HydrophobicContact CD1-CD2 4.43Å; L227-F244 HydrophobicContact CD1-CE1 4.49Å; L227-F244 HydrophobicContact CD1-CG 4.31Å; L227-E249 HydrophobicContact CD1-CG 3.89Å; L227-L252 HydrophobicContact CD1-CD1 4.19Å; L227-L252 HydrophobicContact CD1-CG 4.28Å; L227-L252 HydrophobicContact CD2-CD1 4.5Å; L227-L252 HydrophobicContact CD2-CD2 3.69Å; L227-L252 HydrophobicContact CD2-CG 3.9Å
228	R	90.3	Very high	92.8	Very high	170 Å²	170	45.1 Å²	45.1	64%	0.642	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.3	174.9	-74.6	173.7	-173.4	171.2	2.1	113.9	L224 L226 C230	L224-R228 VanDerWaalsContact O-CG 3.28Å; L224-R228 WeakPolarHBondContact O-CG 3.37Å; L224-R228 PolarHBondContact O-N 3.4Å; L226-R228 VanDerWaalsContact C-N 3.34Å; L226-R228 PolarHBondContact O-N 2.7Å; R228-C230 PolarHBondContact O-N 2.79Å
229	R	90.6	Very high	93.1	Very high	140 Å²	140	44.7 Å²	44.7	53%	0.528	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-3.4	171.3	-61.3	178.2	171.6	-177.4	-8.2	112.8	R210 E212 L226 L227	R210-R229 VanDerWaalsContact CD-O 3.29Å; R210-R229 WeakPolarHBondContact CD-O 3.13Å; R210-R229 PolarHBondContact NE-O 3.4Å; R210-R229 PolarHBondContact NH1-O 3.25Å; E212-R229 IonicContact OE1-NH1 3.19Å; E212-R229 PolarHBondContact OE1-NH1 2.99Å; L226-R229 VanDerWaalsContact O-CB 3.31Å; L226-R229 WeakPolarHBondContact O-CB 3.31Å; L226-R229 PolarHBondContact O-N 2.71Å; L226-R229 VanDerWaalsContact O-N 3.11Å; L227-R229 PolarHBondContact O-N 3.36Å; L227-R229 VanDerWaalsContact O-N 3.07Å
230	C	92.5	Very high	93.4	Very high	23 Å²	23	43.6 Å²	43.6	16%	0.155	20%	0.2	C	C	.	.			trans	54	64.6	-178	-63.9	0	0	0	0	112.6	N178 R210 L227 R228 D232 H251	N178-C230 HydrophobicContact CB-CB 3.84Å; R210-C230 PolarHBondContact NE-O 2.99Å; R210-C230 PolarHBondContact NH2-O 2.91Å; L227-C230 WeakPolarHBondContact O-CA 3.48Å; L227-C230 PolarHBondContact O-N 2.88Å; R228-C230 PolarHBondContact O-N 2.79Å; C230-D232 PolarHBondContact O-N 3.42Å; C230-H251 VanDerWaalsContact CA-CE1 3.46Å; C230-H251 WeakPolarHBondContact CA-CE1 3.46Å
231	P	95.5	Very high	93.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.184	C	C	.	.			trans	-59.2	136.9	178.3	25.5	-34.7	0	0	0	112.2	E212 L227 H251	E212-P231 HydrophobicContact CB-CB 3.8Å; E212-P231 HydrophobicContact CB-CG 4.13Å; E212-P231 HydrophobicContact CG-CB 3.91Å; E212-P231 HydrophobicContact CG-CG 4.4Å; L227-P231 HydrophobicContact CD2-CG 4.48Å; L227-P231 WeakPolarHBondContact O-CD 3.45Å; P231-H251 WeakPolarHBondContact CD-NE2 3.22Å; P231-H251 PolarHBondContact O-NE2 2.78Å
232	D	95.8	Very high	93.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-82.8	-33.6	177.5	-54.1	-76.9	0	0	0	111.2	V81 K85 Y181 G182 I209 R210 C230	V81-D232 HydrophobicContact CG1-CB 4.36Å; K85-D232 WeakPolarHBondContact CE-OD1 2.88Å; K85-D232 IonicContact NZ-OD1 2.76Å; K85-D232 PolarHBondContact NZ-OD1 3.31Å; K85-D232 IonicContact NZ-OD2 2.78Å; K85-D232 PolarHBondContact NZ-OD2 3.22Å; Y181-D232 HydrophobicContact CD2-CB 3.98Å; Y181-D232 HydrophobicContact CE2-CB 4.41Å; Y181-D232 PolarHBondContact N-O 2.76Å; G182-D232 PolarHBondContact N-O 2.82Å; G182-D232 VanDerWaalsContact N-O 3.17Å; I209-D232 HydrophobicContact CG2-CB 4.39Å; R210-D232 WeakPolarHBondContact CB-OD2 3.43Å; R210-D232 PolarHBondContact N-OD2 3.25Å; R210-D232 IonicContact NE-OD2 3.27Å; R210-D232 PolarHBondContact NE-OD2 3.25Å; R210-D232 IonicContact NH2-OD1 3.74Å; R210-D232 IonicContact NH2-OD2 2.86Å; R210-D232 PolarHBondContact O-N 2.77Å; C230-D232 PolarHBondContact O-N 3.42Å
233	I	97.8	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.7	172.1	-54.3	-179.5	0	0	0	108.7	L77 V78 V81 G182 L199 I209 R210 I211 E212	L77-I233 HydrophobicContact CD2-CG2 4.12Å; L77-I233 HydrophobicContact CG-CD1 4.44Å; V78-I233 HydrophobicContact CG1-CD1 3.95Å; V81-I233 HydrophobicContact CB-CD1 4.16Å; V81-I233 HydrophobicContact CB-CG1 4.3Å; V81-I233 HydrophobicContact CG1-CD1 4.14Å; V81-I233 HydrophobicContact CG1-CG1 3.91Å; V81-I233 HydrophobicContact CG2-CD1 4.13Å; V81-I233 HydrophobicContact CG2-CG1 4.03Å; G182-I233 CarbonylContact O-C 3.56Å; G182-I233 WeakPolarHBondContact O-CA 3.48Å; L199-I233 HydrophobicContact CD1-CG2 4.18Å; I209-I233 HydrophobicContact CG2-CD1 4.19Å; I209-I233 HydrophobicContact CG2-CG1 4.39Å; R210-I233 PolarHBondContact O-N 3.14Å; I211-I233 WeakPolarHBondContact CA-O 3.18Å; I211-I233 HydrophobicContact CB-CB 4.47Å; I211-I233 HydrophobicContact CD1-CD1 4.43Å; I211-I233 HydrophobicContact CG1-CB 4.11Å; I211-I233 HydrophobicContact CG1-CD1 4.27Å; I211-I233 HydrophobicContact CG1-CG1 4.48Å; I211-I233 HydrophobicContact CG2-CB 4.18Å; I211-I233 HydrophobicContact CG2-CG2 4.24Å; E212-I233 PolarHBondContact N-O 2.88Å; E212-I233 VanDerWaalsContact N-O 3.12Å
234	L	97.7	Very high	94	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.4	178.8	-177.4	66.3	0	0	0	110.7	V180 G182 L183 V184 I214 A236 L241 L252	V180-L234 HydrophobicContact CG1-CB 4.06Å; G182-L234 PolarHBondContact O-N 3.13Å; L183-L234 CarbonylContact C-O 3.55Å; L183-L234 WeakPolarHBondContact CA-O 3.43Å; L183-L234 HydrophobicContact CD1-CB 4.27Å; L183-L234 HydrophobicContact CD1-CD2 4.15Å; L183-L234 HydrophobicContact CD1-CG 4.29Å; V184-L234 PolarHBondContact N-O 3.05Å; I214-L234 HydrophobicContact CB-CD1 4.17Å; I214-L234 HydrophobicContact CD1-CD1 3.5Å; I214-L234 VanDerWaalsContact CD1-CD1 3.5Å; I214-L234 HydrophobicContact CD1-CD2 4.1Å; I214-L234 HydrophobicContact CD1-CG 4.39Å; I214-L234 HydrophobicContact CG1-CD1 3.7Å; L234-A236 HydrophobicContact CG-CB 4.44Å; L234-L241 HydrophobicContact CD2-CD1 3.84Å; L234-L252 HydrophobicContact CD2-CD2 3.46Å; L234-L252 VanDerWaalsContact CD2-CD2 3.46Å
235	V	97.9	Very high	94	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.9	171.1	-174.6	0	0	0	0	108.7	V184 V186 A192 V195 T196 L199 E212 T213 I214	V184-V235 HydrophobicContact CB-CB 4.39Å; V184-V235 HydrophobicContact CB-CG1 4.19Å; V184-V235 HydrophobicContact CB-CG2 4.11Å; V184-V235 HydrophobicContact CG1-CG1 4.37Å; V184-V235 HydrophobicContact CG2-CG2 4.28Å; V184-V235 CarbonylContact O-C 3.54Å; V184-V235 WeakPolarHBondContact O-CA 3.32Å; V186-V235 HydrophobicContact CG2-CG1 4.3Å; A192-V235 HydrophobicContact CB-CG1 4.02Å; V195-V235 HydrophobicContact CB-CG1 4.22Å; V195-V235 HydrophobicContact CG1-CG1 4.12Å; V195-V235 HydrophobicContact CG1-CG2 4.17Å; T196-V235 WeakPolarHBondContact OG1-CB 3.35Å; T196-V235 WeakPolarHBondContact OG1-CG2 3.4Å; L199-V235 HydrophobicContact CD1-CG2 3.9Å; E212-V235 PolarHBondContact O-N 3.05Å; T213-V235 CarbonylContact C-O 3.48Å; T213-V235 WeakPolarHBondContact CA-O 3.4Å; T213-V235 HydrophobicContact CG2-CB 4.17Å; T213-V235 HydrophobicContact CG2-CG1 4.36Å; T213-V235 VanDerWaalsContact CG2-O 3.31Å; T213-V235 WeakPolarHBondContact CG2-O 3.25Å; I214-V235 PolarHBondContact N-O 3.06Å
236	A	96.1	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	152.6	-171.9	0	0	0	0	0	115.9	V184 L185 V186 I214 L234 L241	V184-A236 PolarHBondContact O-N 3.41Å; L185-A236 WeakPolarHBondContact CA-O 3.49Å; V186-A236 PolarHBondContact N-O 3.04Å; I214-A236 HydrophobicContact CB-CB 4.12Å; I214-A236 WeakPolarHBondContact O-CA 3.45Å; I214-A236 WeakPolarHBondContact O-CB 3.32Å; L234-A236 HydrophobicContact CG-CB 4.44Å; A236-L241 HydrophobicContact CB-CB 4.01Å; A236-L241 HydrophobicContact CB-CD1 4.38Å; A236-L241 HydrophobicContact CB-CD2 4.31Å; A236-L241 HydrophobicContact CB-CG 4.48Å
237	T	93.3	Very high	94	Very high	15 Å²	15	38.9 Å²	38.9	9%	0.092	18%	0.175	C	C	.	.			trans	-85.7	135.2	164.3	56.2	0	0	0	0	110.3	V186 I214 V215 G216 G239 R240 L241	V186-T237 WeakPolarHBondContact O-CA 3.22Å; I214-T237 PolarHBondContact O-N 3.35Å; V215-T237 WeakPolarHBondContact CA-OG1 3.44Å; V215-T237 HydrophobicContact CB-CG2 4.42Å; V215-T237 HydrophobicContact CG1-CG2 4.06Å; G216-T237 PolarHBondContact N-OG1 3.36Å; T237-G239 PolarHBondContact O-N 3.3Å; T237-R240 PolarHBondContact O-N 3.44Å; T237-L241 PolarHBondContact O-N 3.23Å; T237-L241 VanDerWaalsContact O-N 3.12Å
238	P	93.3	Very high	93.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-48.5	-53.2	-173.3	-31.6	35.1	0	0	0	115	V186 R240 L241 W242 M269 D277 L278 I281	V186-P238 WeakPolarHBondContact O-CD 3.45Å; P238-R240 PolarHBondContact O-N 3.31Å; P238-L241 WeakPolarHBondContact O-CB 3.32Å; P238-L241 PolarHBondContact O-N 3.27Å; P238-L241 VanDerWaalsContact O-N 3.16Å; P238-W242 WeakPolarHBondContact O-CB 3.37Å; P238-W242 PolarHBondContact O-N 3.04Å; P238-M269 HydrophobicContact CG-SD 4.15Å; P238-D277 HydrophobicContact CB-CB 3.96Å; P238-L278 HydrophobicContact CG-CD1 4.22Å; P238-I281 HydrophobicContact CB-CD1 3.91Å
239	G	91.8	Very high	93.8	Very high	28 Å²	28	33.3 Å²	33.3	29%	0.289	17%	0.166	S	C	.	.	H	α-helix	trans	-61.8	-38.7	-175.5	0	0	0	0	0	114.5	T237 H243 D277	T237-G239 PolarHBondContact O-N 3.3Å; G239-H243 WeakPolarHBondContact O-CB 3.29Å; G239-H243 PolarHBondContact O-N 3.47Å; G239-D277 WeakPolarHBondContact CA-OD2 3.44Å
240	R	92.9	Very high	93.7	Very high	43 Å²	43	31.4 Å²	31.4	16%	0.162	17%	0.172	C	C	.	.	H	α-helix	trans	-72	-38.1	176.3	-177.1	58.6	61.2	110.2	-1	111.8	I214 I218 T237 P238 F244	I214-R240 HydrophobicContact CG2-CB 4.17Å; I214-R240 HydrophobicContact CG2-CG 3.45Å; I214-R240 VanDerWaalsContact CG2-CG 3.45Å; I218-R240 PolarHBondContact O-NH1 3.02Å; T237-R240 PolarHBondContact O-N 3.44Å; P238-R240 PolarHBondContact O-N 3.31Å; R240-F244 HydrophobicContact CG-CD2 4Å; R240-F244 HydrophobicContact CG-CE2 3.83Å; R240-F244 WeakPolarHBondContact O-CD2 3.47Å; R240-F244 PolarHBondContact O-N 3.02Å
241	L	95.7	Very high	93.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-50	176.3	179.4	63.3	0	0	0	110.7	L183 L185 L234 A236 T237 P238 H243 F244 I245 L252 L255 I281	L183-L241 HydrophobicContact CD1-CD2 3.91Å; L183-L241 HydrophobicContact CD2-CD2 4.09Å; L185-L241 HydrophobicContact CD2-CD2 3.56Å; L234-L241 HydrophobicContact CD2-CD1 3.84Å; A236-L241 HydrophobicContact CB-CB 4.01Å; A236-L241 HydrophobicContact CB-CD1 4.38Å; A236-L241 HydrophobicContact CB-CD2 4.31Å; A236-L241 HydrophobicContact CB-CG 4.48Å; T237-L241 PolarHBondContact O-N 3.23Å; T237-L241 VanDerWaalsContact O-N 3.12Å; P238-L241 WeakPolarHBondContact O-CB 3.32Å; P238-L241 PolarHBondContact O-N 3.27Å; P238-L241 VanDerWaalsContact O-N 3.16Å; L241-H243 VanDerWaalsContact C-N 3.32Å; L241-H243 PolarHBondContact O-N 3.29Å; L241-F244 PolarHBondContact O-N 3.28Å; L241-F244 VanDerWaalsContact O-N 3.16Å; L241-I245 HydrophobicContact CD1-CD1 4.24Å; L241-I245 HydrophobicContact CD2-CD1 4.49Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.46Å; L241-L252 HydrophobicContact CD1-CD1 4.13Å; L241-L252 HydrophobicContact CD1-CD2 4.13Å; L241-L255 HydrophobicContact CD1-CD1 3.94Å; L241-I281 HydrophobicContact CB-CD1 4.42Å; L241-I281 HydrophobicContact CD2-CD1 4.08Å; L241-I281 HydrophobicContact CD2-CG2 4.44Å; L241-I281 HydrophobicContact CG-CD1 4.45Å
242	W	94.3	Very high	93.5	Very high	49 Å²	49	30.8 Å²	30.8	19%	0.186	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-42.2	179.8	-175.6	-120.6	0	0	0	112	P238 F244 I245 Q246 A280 I281 W284	P238-W242 WeakPolarHBondContact O-CB 3.37Å; P238-W242 PolarHBondContact O-N 3.04Å; W242-F244 PolarHBondContact O-N 2.94Å; W242-I245 HydrophobicContact CE3-CB 4.21Å; W242-I245 HydrophobicContact CE3-CD1 4.27Å; W242-I245 HydrophobicContact CE3-CG2 4.1Å; W242-I245 HydrophobicContact CZ3-CB 4.48Å; W242-I245 HydrophobicContact CZ3-CG2 3.86Å; W242-I245 PolarHBondContact O-N 2.92Å; W242-Q246 HydrophobicContact CD2-CG 4.19Å; W242-Q246 HydrophobicContact CZ2-CG 3.93Å; W242-Q246 VanDerWaalsContact NE1-NE2 3.11Å; W242-Q246 WeakPolarHBondContact O-CG 3.43Å; W242-Q246 PolarHBondContact O-N 3.46Å; W242-A280 HydrophobicContact CD2-CB 3.91Å; W242-A280 HydrophobicContact CE3-CB 4.16Å; W242-A280 HydrophobicContact CH2-CB 3.96Å; W242-A280 HydrophobicContact CZ2-CB 3.68Å; W242-A280 HydrophobicContact CZ3-CB 4.19Å; W242-I281 HydrophobicContact CB-CD1 4.22Å; W242-I281 HydrophobicContact CB-CG1 4.14Å; W242-I281 HydrophobicContact CD2-CG1 4.46Å; W242-I281 HydrophobicContact CE3-CG1 3.86Å; W242-W284 HydrophobicContact CH2-CB 4.3Å; W242-W284 HydrophobicContact CZ3-CB 3.89Å; W242-W284 HydrophobicContact CZ3-CG 4.08Å
243	H	93.7	Very high	93.1	Very high	69 Å²	69	34.6 Å²	34.6	32%	0.319	19%	0.186	S	C	.	.	H	α-helix	trans	-53.6	-49.2	173.2	175	74.4	0	0	0	112.4	G239 L241 Q246 Q247	G239-H243 WeakPolarHBondContact O-CB 3.29Å; G239-H243 PolarHBondContact O-N 3.47Å; L241-H243 VanDerWaalsContact C-N 3.32Å; L241-H243 PolarHBondContact O-N 3.29Å; H243-Q246 PolarHBondContact O-N 3.43Å; H243-Q247 WeakPolarHBondContact O-CG 3.38Å; H243-Q247 PolarHBondContact O-N 3.5Å; H243-Q247 VanDerWaalsContact O-N 3.1Å
244	F	94.6	Very high	92.6	Very high	7 Å²	7	35.7 Å²	35.7	3%	0.031	19%	0.193	C	C	.	.	H	α-helix	trans	-69.7	-32.9	179.3	-77.1	-64.4	0	0	0	113.5	I214 V220 Q223 L227 R240 L241 W242 Q246 Q247 G248 E249 L252	I214-F244 HydrophobicContact CG2-CD2 3.77Å; I214-F244 HydrophobicContact CG2-CE2 3.86Å; V220-F244 HydrophobicContact CG1-CE1 3.63Å; V220-F244 HydrophobicContact CG1-CZ 3.84Å; Q223-F244 HydrophobicContact CB-CE2 3.95Å; Q223-F244 HydrophobicContact CB-CZ 3.77Å; L227-F244 HydrophobicContact CD1-CD1 4.33Å; L227-F244 HydrophobicContact CD1-CD2 4.43Å; L227-F244 HydrophobicContact CD1-CE1 4.49Å; L227-F244 HydrophobicContact CD1-CG 4.31Å; R240-F244 HydrophobicContact CG-CD2 4Å; R240-F244 HydrophobicContact CG-CE2 3.83Å; R240-F244 WeakPolarHBondContact O-CD2 3.47Å; R240-F244 PolarHBondContact O-N 3.02Å; L241-F244 PolarHBondContact O-N 3.28Å; L241-F244 VanDerWaalsContact O-N 3.16Å; W242-F244 PolarHBondContact O-N 2.94Å; F244-Q246 VanDerWaalsContact C-N 3.34Å; F244-Q247 PolarHBondContact O-N 3.41Å; F244-G248 PolarHBondContact O-N 2.79Å; F244-E249 PolarHBondContact O-N 3.29Å; F244-L252 HydrophobicContact CB-CD1 3.26Å; F244-L252 HydrophobicContact CG-CD1 4.23Å
245	I	93.3	Very high	92.4	Very high	10 Å²	10	35.8 Å²	35.8	5%	0.051	19%	0.194	C	C	.	.	H	α-helix	trans	-61.5	-44.7	172.5	-69	168.4	0	0	0	110.1	L241 W242 Q247 G248 L252 L255 W284	L241-I245 HydrophobicContact CD1-CD1 4.24Å; L241-I245 HydrophobicContact CD2-CD1 4.49Å; L241-I245 HydrophobicContact CG-CD1 3.88Å; L241-I245 WeakPolarHBondContact O-CG1 3.25Å; L241-I245 PolarHBondContact O-N 3.46Å; W242-I245 HydrophobicContact CE3-CB 4.21Å; W242-I245 HydrophobicContact CE3-CD1 4.27Å; W242-I245 HydrophobicContact CE3-CG2 4.1Å; W242-I245 HydrophobicContact CZ3-CB 4.48Å; W242-I245 HydrophobicContact CZ3-CG2 3.86Å; W242-I245 PolarHBondContact O-N 2.92Å; I245-Q247 VanDerWaalsContact C-N 3.28Å; I245-Q247 PolarHBondContact O-N 3.48Å; I245-G248 PolarHBondContact O-N 3.01Å; I245-L252 HydrophobicContact CG1-CB 4.45Å; I245-L252 HydrophobicContact CG1-CD1 4.41Å; I245-L255 HydrophobicContact CD1-CD1 4.28Å; I245-W284 HydrophobicContact CD1-CE3 4.05Å; I245-W284 HydrophobicContact CD1-CH2 4.4Å; I245-W284 HydrophobicContact CD1-CZ3 3.91Å; I245-W284 HydrophobicContact CG1-CH2 4.45Å; I245-W284 HydrophobicContact CG1-CZ3 4.44Å; I245-W284 HydrophobicContact CG2-CD2 3.95Å; I245-W284 HydrophobicContact CG2-CE3 4.34Å; I245-W284 HydrophobicContact CG2-CG 4.47Å; I245-W284 HydrophobicContact CG2-CH2 4.24Å; I245-W284 HydrophobicContact CG2-CZ2 3.82Å; I245-W284 HydrophobicContact CG2-CZ3 4.47Å
246	Q	92.1	Very high	91.9	Very high	124 Å²	124	38.5 Å²	38.5	58%	0.579	21%	0.206	S	C	*	.	H	α-helix	trans	-64.8	-31	177.5	-71.4	-177.5	-45.8	0	0	113.2	W242 H243 F244 G248	W242-Q246 HydrophobicContact CD2-CG 4.19Å; W242-Q246 HydrophobicContact CZ2-CG 3.93Å; W242-Q246 VanDerWaalsContact NE1-NE2 3.11Å; W242-Q246 WeakPolarHBondContact O-CG 3.43Å; W242-Q246 PolarHBondContact O-N 3.46Å; H243-Q246 PolarHBondContact O-N 3.43Å; F244-Q246 VanDerWaalsContact C-N 3.34Å; Q246-G248 PolarHBondContact O-N 2.84Å
247	Q	91.8	Very high	91.5	Very high	137 Å²	137	39.6 Å²	39.6	64%	0.64	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-4.3	172.9	-64.8	-57.5	-45.4	0	0	113.1	H243 F244 I245	H243-Q247 WeakPolarHBondContact O-CG 3.38Å; H243-Q247 PolarHBondContact O-N 3.5Å; H243-Q247 VanDerWaalsContact O-N 3.1Å; F244-Q247 PolarHBondContact O-N 3.41Å; I245-Q247 VanDerWaalsContact C-N 3.28Å; I245-Q247 PolarHBondContact O-N 3.48Å
248	G	89.5	Confident	91.6	Very high	35 Å²	35	38.9 Å²	38.9	36%	0.361	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	35.4	178.2	0	0	0	0	0	113.4	F244 I245 Q246 P250	F244-G248 PolarHBondContact O-N 2.79Å; I245-G248 PolarHBondContact O-N 3.01Å; Q246-G248 PolarHBondContact O-N 2.84Å; G248-P250 WeakPolarHBondContact O-CD 3.46Å
249	E	90.3	Very high	91.6	Very high	19 Å²	19	39.6 Å²	39.6	9%	0.089	21%	0.213	C	C	.	.			trans	-61.5	122.5	179.4	-163.3	-76.3	135.2	0	0	110.7	L224 L227 F244 H251 L252 L253	L224-E249 HydrophobicContact CD1-CG 4.02Å; L227-E249 HydrophobicContact CD1-CG 3.89Å; F244-E249 PolarHBondContact O-N 3.29Å; E249-H251 PolarHBondContact O-N 3.04Å; E249-H251 PolarHBondContact OE1-N 3.41Å; E249-H251 VanDerWaalsContact OE1-N 3.15Å; E249-H251 WeakPolarHBondContact OE2-CA 3.33Å; E249-H251 WeakPolarHBondContact OE2-CB 3.41Å; E249-H251 PolarHBondContact OE2-N 2.99Å; E249-H251 VanDerWaalsContact OE2-N 3.09Å; E249-L252 HydrophobicContact CB-CB 4.34Å; E249-L252 HydrophobicContact CB-CD1 4.35Å; E249-L252 HydrophobicContact CB-CG 4.39Å; E249-L252 PolarHBondContact O-N 2.85Å; E249-L252 VanDerWaalsContact O-N 3.15Å; E249-L252 VanDerWaalsContact OE2-CG 3.29Å; E249-L252 WeakPolarHBondContact OE2-CG 3.11Å; E249-L252 PolarHBondContact OE2-N 3.44Å; E249-L253 WeakPolarHBondContact O-CG 3.18Å; E249-L253 PolarHBondContact O-N 3.42Å
250	P	87.8	Confident	91.8	Very high	100 Å²	100	38.3 Å²	38.3	65%	0.649	20%	0.2	S	C	*	.	H	α-helix	trans	-56.9	-41.4	-169.1	-28.9	34.9	0	0	0	115.2	G248 L253	G248-P250 WeakPolarHBondContact O-CD 3.46Å; P250-L253 PolarHBondContact O-N 3.33Å
251	H	91.3	Very high	92	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.051	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-38.1	-179.2	-172.2	68.5	0	0	0	111.4	N178 V180 C230 P231 E249 L253 T254	N178-H251 PolarHBondContact O-ND1 3.3Å; V180-H251 VanDerWaalsContact CG2-NE2 3.27Å; V180-H251 WeakPolarHBondContact CG2-NE2 3.28Å; C230-H251 VanDerWaalsContact CA-CE1 3.46Å; C230-H251 WeakPolarHBondContact CA-CE1 3.46Å; P231-H251 WeakPolarHBondContact CD-NE2 3.22Å; P231-H251 PolarHBondContact O-NE2 2.78Å; E249-H251 PolarHBondContact O-N 3.04Å; E249-H251 PolarHBondContact OE1-N 3.41Å; E249-H251 VanDerWaalsContact OE1-N 3.15Å; E249-H251 WeakPolarHBondContact OE2-CA 3.33Å; E249-H251 WeakPolarHBondContact OE2-CB 3.41Å; E249-H251 PolarHBondContact OE2-N 2.99Å; E249-H251 VanDerWaalsContact OE2-N 3.09Å; H251-L253 VanDerWaalsContact C-N 3.35Å; H251-T254 WeakPolarHBondContact O-CB 3.22Å; H251-T254 WeakPolarHBondContact O-CG2 3.33Å; H251-T254 PolarHBondContact O-N 2.86Å; H251-T254 PolarHBondContact O-OG1 3.19Å
252	L	91.6	Very high	92.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.2	-27.2	176.4	-69.1	-171.9	0	0	0	113.5	L227 L234 L241 F244 I245 E249 T254 L255	L227-L252 HydrophobicContact CD1-CD1 4.19Å; L227-L252 HydrophobicContact CD1-CG 4.28Å; L227-L252 HydrophobicContact CD2-CD1 4.5Å; L227-L252 HydrophobicContact CD2-CD2 3.69Å; L227-L252 HydrophobicContact CD2-CG 3.9Å; L234-L252 HydrophobicContact CD2-CD2 3.46Å; L234-L252 VanDerWaalsContact CD2-CD2 3.46Å; L241-L252 HydrophobicContact CD1-CD1 4.13Å; L241-L252 HydrophobicContact CD1-CD2 4.13Å; F244-L252 HydrophobicContact CB-CD1 3.26Å; F244-L252 HydrophobicContact CG-CD1 4.23Å; I245-L252 HydrophobicContact CG1-CB 4.45Å; I245-L252 HydrophobicContact CG1-CD1 4.41Å; E249-L252 HydrophobicContact CB-CB 4.34Å; E249-L252 HydrophobicContact CB-CD1 4.35Å; E249-L252 HydrophobicContact CB-CG 4.39Å; E249-L252 PolarHBondContact O-N 2.85Å; E249-L252 VanDerWaalsContact O-N 3.15Å; E249-L252 VanDerWaalsContact OE2-CG 3.29Å; E249-L252 WeakPolarHBondContact OE2-CG 3.11Å; E249-L252 PolarHBondContact OE2-N 3.44Å; L252-T254 PolarHBondContact O-N 2.91Å; L252-L255 HydrophobicContact CB-CD1 4.29Å; L252-L255 HydrophobicContact CD2-CD1 3.86Å; L252-L255 HydrophobicContact CD2-CG 4.48Å; L252-L255 WeakPolarHBondContact O-CB 3.41Å; L252-L255 VanDerWaalsContact O-CG 3.29Å; L252-L255 WeakPolarHBondContact O-CG 3.36Å; L252-L255 PolarHBondContact O-N 3.16Å
253	L	88	Confident	92.1	Very high	79 Å²	79	33.9 Å²	33.9	41%	0.414	18%	0.183	S	C	.	.	H	α-helix	trans	-59.1	-26.9	172.4	-67.8	175.8	0	0	0	111.8	E249 P250 H251 L255 H256 W284	E249-L253 WeakPolarHBondContact O-CG 3.18Å; E249-L253 PolarHBondContact O-N 3.42Å; P250-L253 PolarHBondContact O-N 3.33Å; H251-L253 VanDerWaalsContact C-N 3.35Å; L253-L255 PolarHBondContact O-N 3.47Å; L253-H256 PolarHBondContact O-CD2 3.28Å; L253-H256 VanDerWaalsContact O-CD2 3.25Å; L253-H256 PolarHBondContact O-N 2.94Å; L253-W284 HydrophobicContact CD2-CZ2 4.23Å
254	T	88.7	Confident	92.1	Very high	24 Å²	24	30.9 Å²	30.9	15%	0.147	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-66.6	-14.6	175.1	76.8	0	0	0	0	113.8	R179 V180 H251 L252 H256 S257	R179-T254 WeakPolarHBondContact CA-OG1 3.36Å; R179-T254 HydrophobicContact CB-CG2 4.15Å; V180-T254 PolarHBondContact N-OG1 3.12Å; H251-T254 WeakPolarHBondContact O-CB 3.22Å; H251-T254 WeakPolarHBondContact O-CG2 3.33Å; H251-T254 PolarHBondContact O-N 2.86Å; H251-T254 PolarHBondContact O-OG1 3.19Å; L252-T254 PolarHBondContact O-N 2.91Å; T254-H256 PolarHBondContact O-N 3.49Å; T254-H256 VanDerWaalsContact O-N 3.08Å; T254-S257 PolarHBondContact O-N 3.45Å; T254-S257 PolarHBondContact O-OG 3.37Å
255	L	91.6	Very high	91.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-58.6	-20.6	176.9	-77.7	170.5	0	0	0	113.1	V180 L183 L241 I245 L252 L253 S257 V258 W284 L285	V180-L255 HydrophobicContact CB-CD2 3.71Å; V180-L255 HydrophobicContact CB-CG 4.31Å; V180-L255 HydrophobicContact CG1-CD2 3.56Å; V180-L255 HydrophobicContact CG2-CD2 4.14Å; V180-L255 HydrophobicContact CG2-CG 4.36Å; L183-L255 HydrophobicContact CB-CD2 4.18Å; L183-L255 HydrophobicContact CD1-CD2 4.32Å; L183-L255 HydrophobicContact CD2-CD2 4.23Å; L183-L255 HydrophobicContact CG-CD2 4.48Å; L241-L255 HydrophobicContact CD1-CD1 3.94Å; I245-L255 HydrophobicContact CD1-CD1 4.28Å; L252-L255 HydrophobicContact CB-CD1 4.29Å; L252-L255 HydrophobicContact CD2-CD1 3.86Å; L252-L255 HydrophobicContact CD2-CG 4.48Å; L252-L255 WeakPolarHBondContact O-CB 3.41Å; L252-L255 VanDerWaalsContact O-CG 3.29Å; L252-L255 WeakPolarHBondContact O-CG 3.36Å; L252-L255 PolarHBondContact O-N 3.16Å; L253-L255 PolarHBondContact O-N 3.47Å; L255-S257 PolarHBondContact O-N 3.05Å; L255-V258 HydrophobicContact CD2-CB 4.39Å; L255-V258 HydrophobicContact CD2-CG2 4.43Å; L255-V258 VanDerWaalsContact O-CB 3.24Å; L255-V258 WeakPolarHBondContact O-CB 3.5Å; L255-V258 WeakPolarHBondContact O-CG1 3.24Å; L255-V258 PolarHBondContact O-N 3.19Å; L255-W284 HydrophobicContact CB-CH2 3.89Å; L255-W284 HydrophobicContact CB-CZ3 3.7Å; L255-W284 HydrophobicContact CD1-CZ3 4.49Å; L255-L285 HydrophobicContact CB-CD2 4.19Å; L255-L285 VanDerWaalsContact O-CD2 3.25Å; L255-L285 WeakPolarHBondContact O-CD2 3.49Å
256	H	87.9	Confident	91.6	Very high	58 Å²	58	30.7 Å²	30.7	27%	0.269	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-52.3	-37.8	169.2	-76.1	-62.3	0	0	0	112.2	L253 T254 V258 W284 R333	L253-H256 PolarHBondContact O-CD2 3.28Å; L253-H256 VanDerWaalsContact O-CD2 3.25Å; L253-H256 PolarHBondContact O-N 2.94Å; T254-H256 PolarHBondContact O-N 3.49Å; T254-H256 VanDerWaalsContact O-N 3.08Å; H256-V258 VanDerWaalsContact C-N 3.34Å; H256-V258 PolarHBondContact O-N 3.41Å; H256-W284 AromaticContact CD2-CH2 3.84Å; H256-W284 AromaticContact CD2-CZ2 3.48Å; H256-W284 VanDerWaalsContact CD2-CZ2 3.48Å; H256-W284 WeakPolarHBondContact CD2-CZ2 3.37Å; H256-W284 AromaticContact CE1-CD1 3.88Å; H256-W284 AromaticContact CE1-CD2 3.62Å; H256-W284 AromaticContact CE1-CE2 3.19Å; H256-W284 AromaticContact CE1-CZ2 3.45Å; H256-W284 VanDerWaalsContact CE1-CZ2 3.45Å; H256-W284 WeakPolarHBondContact CE1-CZ2 3.35Å; H256-W284 AromaticContact CE1-NE1 3.35Å; H256-W284 PolarHBondContact CE1-NE1 3.21Å; H256-W284 PolarHBondContact CE1-O 3.19Å; H256-W284 PolarHBondContact ND1-O 2.83Å; H256-W284 AromaticContact NE2-CE2 3.17Å; H256-W284 AromaticContact NE2-CH2 3.82Å; H256-W284 AromaticContact NE2-CZ2 3.04Å; H256-W284 WeakPolarHBondContact NE2-CZ2 3.44Å; H256-W284 AromaticContact NE2-NE1 3.33Å; H256-W284 PolarHBondContact NE2-NE1 2.69Å; H256-R333 PolarHBondContact O-NH2 2.93Å
257	S	89.1	Confident	91.1	Very high	22 Å²	22	25.5 Å²	25.5	15%	0.154	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-86.8	7.9	179.2	75	0	0	0	0	114.4	R179 T254 L255 N259 V331	R179-S257 PolarHBondContact NH1-O 2.96Å; R179-S257 PolarHBondContact NH1-OG 2.8Å; T254-S257 PolarHBondContact O-N 3.45Å; T254-S257 PolarHBondContact O-OG 3.37Å; L255-S257 PolarHBondContact O-N 3.05Å; S257-N259 PolarHBondContact O-N 2.81Å; S257-V331 WeakPolarHBondContact O-CG1 3.18Å
258	V	94	Very high	90.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.			trans	-59.6	132.3	-175.4	72.4	0	0	0	0	111.6	Y181 L183 L255 H256 V261 L285 R333	Y181-V258 WeakPolarHBondContact O-CG2 3.12Å; L183-V258 HydrophobicContact CB-CG2 4Å; L255-V258 HydrophobicContact CD2-CB 4.39Å; L255-V258 HydrophobicContact CD2-CG2 4.43Å; L255-V258 VanDerWaalsContact O-CB 3.24Å; L255-V258 WeakPolarHBondContact O-CB 3.5Å; L255-V258 WeakPolarHBondContact O-CG1 3.24Å; L255-V258 PolarHBondContact O-N 3.19Å; H256-V258 VanDerWaalsContact C-N 3.34Å; H256-V258 PolarHBondContact O-N 3.41Å; V258-V261 HydrophobicContact CG1-CG2 3.56Å; V258-V261 HydrophobicContact CG2-CG2 4.4Å; V258-L285 HydrophobicContact CG1-CD2 4.11Å; V258-R333 PolarHBondContact O-NE 2.82Å
259	N	94	Very high	90.1	Very high	16 Å²	16	17.9 Å²	17.9	9%	0.086	10%	0.099	C	C	.	.	S	Bend	trans	-86.9	-37.6	-176.4	-69.6	89.1	0	0	0	112.5	L84 R179 Y181 S257 V331 R333 Q334	L84-N259 HydrophobicContact CD1-CB 3.64Å; R179-N259 PolarHBondContact NH1-OD1 3.41Å; R179-N259 VanDerWaalsContact NH1-OD1 3.1Å; R179-N259 PolarHBondContact NH2-OD1 3.22Å; Y181-N259 PolarHBondContact O-N 3.14Å; S257-N259 PolarHBondContact O-N 2.81Å; N259-V331 HydrophobicContact CB-CG1 4.48Å; N259-V331 WeakPolarHBondContact ND2-CG1 3.23Å; N259-R333 CarbonylContact O-C 3.55Å; N259-R333 WeakPolarHBondContact O-CA 3.33Å; N259-Q334 PolarHBondContact O-N 2.97Å
260	V	96.2	Very high	89.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.9	-177.5	-172.3	0	0	0	0	109.7	L77 K80 Y181 G182 L183 V262 Q334 L336	L77-V260 HydrophobicContact CB-CG1 4.46Å; L77-V260 HydrophobicContact CD1-CB 3.68Å; L77-V260 HydrophobicContact CD1-CG1 3.64Å; L77-V260 HydrophobicContact CD1-CG2 4.47Å; K80-V260 HydrophobicContact CB-CG2 3.97Å; K80-V260 HydrophobicContact CG-CG2 3.72Å; Y181-V260 PolarHBondContact O-N 2.75Å; Y181-V260 VanDerWaalsContact O-N 3.14Å; G182-V260 WeakPolarHBondContact CA-O 3.46Å; L183-V260 PolarHBondContact N-O 3.21Å; V260-V262 HydrophobicContact CG1-CG2 4.31Å; V260-Q334 WeakPolarHBondContact CA-O 3.02Å; V260-L336 HydrophobicContact CG1-CD1 4.2Å
261	V	96.5	Very high	88.8	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.2	173.2	-178.9	0	0	0	0	108.9	L183 V258 V263 F282 L285 R333 Q334 T335 L336	L183-V261 CarbonylContact O-C 3.55Å; L183-V261 WeakPolarHBondContact O-CA 3.4Å; V258-V261 HydrophobicContact CG1-CG2 3.56Å; V258-V261 HydrophobicContact CG2-CG2 4.4Å; V261-V263 HydrophobicContact CG1-CG2 4.41Å; V261-F282 HydrophobicContact CG1-CE1 4.22Å; V261-F282 HydrophobicContact CG1-CZ 3.86Å; V261-L285 HydrophobicContact CG2-CD1 4.5Å; V261-R333 HydrophobicContact CG2-CG 4.25Å; V261-Q334 PolarHBondContact N-O 2.84Å; V261-T335 CarbonylContact O-C 3.59Å; V261-T335 VanDerWaalsContact O-CA 3.31Å; V261-T335 WeakPolarHBondContact O-CA 3.38Å; V261-L336 PolarHBondContact O-N 3.38Å
262	V	97.3	Very high	87.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.3	175.5	-176.4	0	0	0	0	109.5	F73 L77 L183 V184 L185 V260 L336	F73-V262 HydrophobicContact CB-CG1 3.91Å; F73-V262 HydrophobicContact CB-CG2 4.4Å; F73-V262 HydrophobicContact CD1-CG1 3.91Å; F73-V262 HydrophobicContact CD2-CB 4.34Å; F73-V262 HydrophobicContact CD2-CG1 3.51Å; F73-V262 HydrophobicContact CD2-CG2 4.13Å; F73-V262 HydrophobicContact CE1-CG1 4.22Å; F73-V262 HydrophobicContact CE2-CG1 3.89Å; F73-V262 HydrophobicContact CG-CG1 3.52Å; F73-V262 HydrophobicContact CZ-CG1 4.21Å; L77-V262 HydrophobicContact CB-CG2 4.49Å; L77-V262 HydrophobicContact CD1-CG2 4.45Å; L77-V262 HydrophobicContact CD2-CG2 4.15Å; L183-V262 PolarHBondContact O-N 3.43Å; V184-V262 CarbonylContact C-O 3.49Å; V184-V262 HydrophobicContact CB-CB 4.23Å; V184-V262 HydrophobicContact CG1-CB 3.96Å; V184-V262 HydrophobicContact CG1-CG1 4.03Å; V184-V262 HydrophobicContact CG2-CB 4Å; V184-V262 HydrophobicContact CG2-CG2 4.16Å; L185-V262 PolarHBondContact N-O 3.15Å; V260-V262 HydrophobicContact CG1-CG2 4.31Å; V262-L336 CarbonylContact C-O 3.47Å; V262-L336 VanDerWaalsContact CA-O 3.22Å; V262-L336 WeakPolarHBondContact CA-O 3.31Å; V262-L336 HydrophobicContact CG2-CB 4.19Å; V262-L336 HydrophobicContact CG2-CD1 4.22Å
263	V	94.9	Very high	86.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	102.2	177.5	179.2	0	0	0	0	107.4	V261 A266 M269 F282 L336 I337 F338 F382	V261-V263 HydrophobicContact CG1-CG2 4.41Å; V263-A266 HydrophobicContact CG1-CB 3.83Å; V263-M269 HydrophobicContact CB-CE 4.2Å; V263-M269 HydrophobicContact CG1-CE 3.11Å; V263-M269 HydrophobicContact CG1-SD 4.38Å; V263-F282 HydrophobicContact CG2-CE2 4.14Å; V263-F282 HydrophobicContact CG2-CZ 3.67Å; V263-L336 PolarHBondContact N-O 2.84Å; V263-I337 HydrophobicContact CB-CG1 4.19Å; V263-I337 HydrophobicContact CB-CG2 4.29Å; V263-I337 HydrophobicContact CG1-CG2 4.31Å; V263-I337 CarbonylContact O-C 3.53Å; V263-I337 WeakPolarHBondContact O-CA 3.46Å; V263-F338 PolarHBondContact O-N 3.46Å; V263-F382 HydrophobicContact CG1-CE1 3.76Å; V263-F382 HydrophobicContact CG1-CZ 3.75Å; V263-F382 HydrophobicContact CG2-CD1 4.21Å; V263-F382 HydrophobicContact CG2-CE1 4.09Å
264	D	93.2	Very high	85.2	Confident	5 Å²	5	22.8 Å²	22.8	3%	0.027	12%	0.122	C	C	.	.			trans	-104.8	147.6	-178.4	-171.5	25.4	0	0	0	111.9	F73 L185 V186 P187 A266 M269 F338	F73-D264 HydrophobicContact CE1-CB 3.84Å; F73-D264 HydrophobicContact CZ-CB 4.15Å; L185-D264 PolarHBondContact O-N 2.93Å; V186-D264 HydrophobicContact CG1-CB 4.21Å; P187-D264 WeakPolarHBondContact CD-O 3.49Å; D264-A266 VanDerWaalsContact C-N 3.26Å; D264-A266 PolarHBondContact O-N 2.88Å; D264-M269 WeakPolarHBondContact O-CE 3.2Å; D264-F338 CarbonylContact C-O 3.53Å
265	E	88.5	Confident	84.7	Confident	13 Å²	13	22.2 Å²	22.2	6%	0.061	12%	0.118	C	C	.	.	S	Bend	trans	51.8	45	-166.9	-59.6	-82.3	-146.3	0	0	111.7	P187 L191 D267 R268 M269 F338 H560 R564	P187-E265 HydrophobicContact CG-CB 3.61Å; P187-E265 HydrophobicContact CG-CG 4.32Å; L191-E265 HydrophobicContact CD2-CB 4.27Å; L191-E265 HydrophobicContact CD2-CG 3.5Å; E265-D267 PolarHBondContact O-N 2.88Å; E265-D267 VanDerWaalsContact O-N 3.15Å; E265-R268 HydrophobicContact CB-CG 4.44Å; E265-R268 WeakPolarHBondContact O-CB 3.37Å; E265-R268 PolarHBondContact O-N 3.47Å; E265-M269 PolarHBondContact O-N 3.01Å; E265-F338 PolarHBondContact N-O 3.22Å; E265-H560 IonicContact OE2-CE1 2.7Å; E265-H560 PolarHBondContact OE2-CE1 3.25Å; E265-H560 VanDerWaalsContact OE2-CE1 3.27Å; E265-R564 IonicContact OE1-NH2 2.68Å
266	A	88.5	Confident	84.4	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.6	-31.6	-173.1	0	0	0	0	0	114.4	V263 D264 R268 M269 I270 I337 F338 L342	V263-A266 HydrophobicContact CG1-CB 3.83Å; D264-A266 VanDerWaalsContact C-N 3.26Å; D264-A266 PolarHBondContact O-N 2.88Å; A266-R268 PolarHBondContact O-N 3.38Å; A266-M269 HydrophobicContact CB-CE 4.49Å; A266-M269 PolarHBondContact O-N 3.19Å; A266-I270 VanDerWaalsContact O-CD1 3.25Å; A266-I270 WeakPolarHBondContact O-CD1 3.43Å; A266-I270 VanDerWaalsContact O-CG1 3.27Å; A266-I270 WeakPolarHBondContact O-CG1 3.43Å; A266-I270 PolarHBondContact O-N 3.26Å; A266-I337 HydrophobicContact CB-CG2 3.49Å; A266-I337 VanDerWaalsContact CB-CG2 3.49Å; A266-F338 PolarHBondContact N-O 2.87Å; A266-F338 VanDerWaalsContact N-O 3.07Å; A266-L342 HydrophobicContact CB-CD1 4.44Å; A266-L342 HydrophobicContact CB-CD2 4.41Å
267	D	82	Confident	84.4	Confident	15 Å²	15	27.2 Å²	27.2	8%	0.08	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-34.9	174.4	59.4	-53.7	0	0	0	112.3	E265 S339 T341 L342 H560	E265-D267 PolarHBondContact O-N 2.88Å; E265-D267 VanDerWaalsContact O-N 3.15Å; D267-S339 WeakPolarHBondContact CB-OG 3.44Å; D267-S339 PolarHBondContact OD1-OG 3.01Å; D267-T341 PolarHBondContact OD2-OG1 2.8Å; D267-L342 HydrophobicContact CB-CD1 4.02Å; D267-H560 IonicContact OD2-CD2 3.64Å; D267-H560 IonicContact OD2-CE1 3.47Å; D267-H560 IonicContact OD2-NE2 3.15Å; D267-H560 PolarHBondContact OD2-NE2 2.7Å
268	R	78.8	Confident	84.4	Confident	13 Å²	13	26.2 Å²	26.2	5%	0.049	14%	0.139	C	C	.	.	H	α-helix	trans	-80.4	-34.7	179.3	-60	-62.3	126.2	-175.7	1.8	113.1	P187 E265 A266 I270 E271 H560	P187-R268 HydrophobicContact CB-CB 4.04Å; P187-R268 HydrophobicContact CG-CB 4.11Å; E265-R268 HydrophobicContact CB-CG 4.44Å; E265-R268 WeakPolarHBondContact O-CB 3.37Å; E265-R268 PolarHBondContact O-N 3.47Å; A266-R268 PolarHBondContact O-N 3.38Å; R268-I270 PolarHBondContact O-N 3.26Å; R268-E271 WeakPolarHBondContact CD-OE1 3.18Å; R268-E271 IonicContact CZ-OE1 3Å; R268-E271 IonicContact NE-OE1 2.63Å; R268-E271 IonicContact NH1-OE1 3.53Å; R268-E271 PolarHBondContact NH1-OE1 3.05Å; R268-E271 VanDerWaalsContact O-CB 3.29Å; R268-E271 WeakPolarHBondContact O-CB 3.5Å; R268-E271 WeakPolarHBondContact O-CG 3.31Å; R268-E271 PolarHBondContact O-N 2.94Å; R268-H560 PolarHBondContact NH2-CD2 2.97Å; R268-H560 PolarHBondContact NH2-NE2 3.26Å
269	M	83	Confident	84	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.7	-17.3	179.1	-72.4	-176.5	-71.5	0	0	112.9	L185 P187 P238 V263 D264 E265 A266 E271 H274 L278	L185-M269 HydrophobicContact CB-SD 4.18Å; P187-M269 HydrophobicContact CB-CG 3.88Å; P187-M269 HydrophobicContact CG-CG 4.44Å; P238-M269 HydrophobicContact CG-SD 4.15Å; V263-M269 HydrophobicContact CB-CE 4.2Å; V263-M269 HydrophobicContact CG1-CE 3.11Å; V263-M269 HydrophobicContact CG1-SD 4.38Å; D264-M269 WeakPolarHBondContact O-CE 3.2Å; E265-M269 PolarHBondContact O-N 3.01Å; A266-M269 HydrophobicContact CB-CE 4.49Å; A266-M269 PolarHBondContact O-N 3.19Å; M269-E271 VanDerWaalsContact C-N 3.35Å; M269-H274 WeakPolarHBondContact O-CB 3.25Å; M269-L278 HydrophobicContact CB-CD2 3.84Å; M269-L278 HydrophobicContact SD-CD1 4.32Å
270	I	78.2	Confident	83.8	Confident	16 Å²	16	32.1 Å²	32.1	8%	0.082	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-13.5	175.7	-67.7	163.4	0	0	0	112.4	A266 R268 L342 P352 G353 L378 M381 F382	A266-I270 VanDerWaalsContact O-CD1 3.25Å; A266-I270 WeakPolarHBondContact O-CD1 3.43Å; A266-I270 VanDerWaalsContact O-CG1 3.27Å; A266-I270 WeakPolarHBondContact O-CG1 3.43Å; A266-I270 PolarHBondContact O-N 3.26Å; R268-I270 PolarHBondContact O-N 3.26Å; I270-L342 HydrophobicContact CD1-CD1 3.86Å; I270-P352 HydrophobicContact CG2-CB 3.31Å; I270-P352 HydrophobicContact CG2-CG 3.86Å; I270-G353 PolarHBondContact O-N 3.04Å; I270-L378 HydrophobicContact CD1-CD2 3.26Å; I270-L378 HydrophobicContact CD1-CG 4.5Å; I270-M381 HydrophobicContact CG1-CE 4.22Å; I270-M381 HydrophobicContact CG1-SD 4.05Å; I270-M381 HydrophobicContact CG2-CE 4.5Å; I270-F382 HydrophobicContact CD1-CE2 4.26Å; I270-F382 HydrophobicContact CG1-CZ 4.49Å
271	E	72.6	Confident	83.6	Confident	64 Å²	64	32.2 Å²	32.2	30%	0.299	17%	0.166	S	C	.	.	S	Bend	trans	-62.5	147.1	170.2	-61.2	178.1	167.8	0	0	110.1	R268 M269 N273 H274 F275 R527	R268-E271 WeakPolarHBondContact CD-OE1 3.18Å; R268-E271 IonicContact CZ-OE1 3Å; R268-E271 IonicContact NE-OE1 2.63Å; R268-E271 IonicContact NH1-OE1 3.53Å; R268-E271 PolarHBondContact NH1-OE1 3.05Å; R268-E271 VanDerWaalsContact O-CB 3.29Å; R268-E271 WeakPolarHBondContact O-CB 3.5Å; R268-E271 WeakPolarHBondContact O-CG 3.31Å; R268-E271 PolarHBondContact O-N 2.94Å; M269-E271 VanDerWaalsContact C-N 3.35Å; E271-N273 PolarHBondContact O-N 3.36Å; E271-H274 PolarHBondContact O-N 2.98Å; E271-H274 VanDerWaalsContact O-N 3.1Å; E271-F275 PolarHBondContact O-N 3.29Å; E271-R527 IonicContact OE1-NH2 3.72Å; E271-R527 IonicContact OE2-CZ 2.8Å; E271-R527 IonicContact OE2-NH1 2.9Å; E271-R527 PolarHBondContact OE2-NH1 2.66Å; E271-R527 IonicContact OE2-NH2 3.37Å; E271-R527 PolarHBondContact OE2-NH2 2.67Å
272	A	58.9	Low	83.3	Confident	37 Å²	37	32.3 Å²	32.3	31%	0.306	17%	0.166	S	C	.	.	H	α-helix	trans	-53.6	-28.3	-167.1	0	0	0	0	0	116.1	H274	A272-H274 VanDerWaalsContact C-N 3.32Å; A272-H274 PolarHBondContact O-N 2.82Å
273	N	67.5	Low	82.9	Confident	146 Å²	146	37 Å²	37	78%	0.781	19%	0.191	S	C	*	.	H	α-helix	trans	-72.8	-20.2	-177	-67.4	-11.5	0	0	0	114.3	E271	E271-N273 PolarHBondContact O-N 3.36Å
274	H	68.3	Low	82.6	Confident	49 Å²	49	39 Å²	39	23%	0.227	20%	0.199	C	C	.	.	H	α-helix	trans	-113.7	-10.7	-178.4	-62	-53.8	0	0	0	112.9	M269 E271 A272 D276 L278	M269-H274 WeakPolarHBondContact O-CB 3.25Å; E271-H274 PolarHBondContact O-N 2.98Å; E271-H274 VanDerWaalsContact O-N 3.1Å; A272-H274 VanDerWaalsContact C-N 3.32Å; A272-H274 PolarHBondContact O-N 2.82Å; H274-D276 PolarHBondContact O-N 3.44Å; H274-L278 VanDerWaalsContact O-CB 3.31Å; H274-L278 WeakPolarHBondContact O-CB 3.46Å; H274-L278 PolarHBondContact O-N 3.42Å
275	F	77.1	Confident	82.4	Confident	11 Å²	11	38.7 Å²	38.7	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-42.8	-167.7	-175	-102.7	0	0	0	113.4	E271 L278 R279 P352 G353 M381	E271-F275 PolarHBondContact O-N 3.29Å; F275-L278 PolarHBondContact O-N 3.27Å; F275-R279 HydrophobicContact CE1-CG 4.29Å; F275-R279 VanDerWaalsContact CE1-NE 3.31Å; F275-R279 HydrophobicContact CZ-CG 4.37Å; F275-R279 WeakPolarHBondContact O-CB 3.4Å; F275-R279 PolarHBondContact O-N 3.23Å; F275-P352 HydrophobicContact CE2-CB 4.43Å; F275-G353 VanDerWaalsContact CD2-CA 3.49Å; F275-G353 VanDerWaalsContact CE2-CA 3.47Å; F275-M381 HydrophobicContact CD2-CE 4.27Å; F275-M381 HydrophobicContact CD2-SD 4.45Å; F275-M381 HydrophobicContact CE2-CE 3.42Å; F275-M381 VanDerWaalsContact CE2-CE 3.42Å; F275-M381 HydrophobicContact CE2-SD 4.05Å; F275-M381 HydrophobicContact CZ-CE 4.22Å
276	D	85	Confident	82.2	Confident	118 Å²	118	40.4 Å²	40.4	63%	0.631	21%	0.206	S	C	*	.	H	α-helix	trans	-68.4	-45.7	-176.6	-65.5	-31.3	0	0	0	111.4	H274 L278 R279 A280	H274-D276 PolarHBondContact O-N 3.44Å; D276-L278 VanDerWaalsContact C-N 3.35Å; D276-L278 PolarHBondContact O-N 3.06Å; D276-R279 PolarHBondContact O-N 3.07Å; D276-A280 WeakPolarHBondContact O-CB 3.24Å; D276-A280 PolarHBondContact O-N 2.97Å
277	D	88	Confident	81.7	Confident	47 Å²	47	43.5 Å²	43.5	25%	0.251	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-44.3	175.8	-65.5	-30.1	0	0	0	111.2	P238 G239 A280 I281	P238-D277 HydrophobicContact CB-CB 3.96Å; G239-D277 WeakPolarHBondContact CA-OD2 3.44Å; D277-A280 PolarHBondContact O-N 3.17Å; D277-I281 WeakPolarHBondContact O-CD1 3.21Å; D277-I281 VanDerWaalsContact O-CG1 3.25Å; D277-I281 WeakPolarHBondContact O-CG1 3.33Å; D277-I281 PolarHBondContact O-N 2.82Å
278	L	89	Confident	80.7	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-47.3	179.8	-170.3	70.5	0	0	0	111.3	L185 P238 M269 H274 F275 D276 A280 I281 F282 M381 F382	L185-L278 HydrophobicContact CD1-CD1 3.88Å; P238-L278 HydrophobicContact CG-CD1 4.22Å; M269-L278 HydrophobicContact CB-CD2 3.84Å; M269-L278 HydrophobicContact SD-CD1 4.32Å; H274-L278 VanDerWaalsContact O-CB 3.31Å; H274-L278 WeakPolarHBondContact O-CB 3.46Å; H274-L278 PolarHBondContact O-N 3.42Å; F275-L278 PolarHBondContact O-N 3.27Å; D276-L278 VanDerWaalsContact C-N 3.35Å; D276-L278 PolarHBondContact O-N 3.06Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 3.42Å; L278-I281 PolarHBondContact O-N 2.82Å; L278-F282 HydrophobicContact CD1-CD2 4.11Å; L278-F282 HydrophobicContact CD1-CE2 3.84Å; L278-F282 HydrophobicContact CG-CD2 4.18Å; L278-F282 HydrophobicContact CG-CE2 4.31Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 2.98Å; L278-M381 HydrophobicContact CD2-SD 4.28Å; L278-F382 HydrophobicContact CD1-CE1 4.23Å; L278-F382 HydrophobicContact CD2-CE1 3.57Å; L278-F382 HydrophobicContact CD2-CZ 3.72Å; L278-F382 HydrophobicContact CG-CE1 4.03Å
279	R	87.1	Confident	79.4	Confident	117 Å²	117	48.7 Å²	48.7	44%	0.442	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-42.7	175.1	-87.2	-168.7	167.6	178	-1.6	111.8	F275 D276 I281 F282 N283	F275-R279 HydrophobicContact CE1-CG 4.29Å; F275-R279 VanDerWaalsContact CE1-NE 3.31Å; F275-R279 HydrophobicContact CZ-CG 4.37Å; F275-R279 WeakPolarHBondContact O-CB 3.4Å; F275-R279 PolarHBondContact O-N 3.23Å; D276-R279 PolarHBondContact O-N 3.07Å; R279-I281 VanDerWaalsContact C-N 3.35Å; R279-I281 PolarHBondContact O-N 2.94Å; R279-F282 PolarHBondContact O-N 3.1Å; R279-N283 VanDerWaalsContact O-CB 3.25Å; R279-N283 WeakPolarHBondContact O-CB 3.47Å; R279-N283 PolarHBondContact O-N 2.86Å; R279-N283 PolarHBondContact O-ND2 3.46Å
280	A	89.8	Confident	77.4	Confident	24 Å²	24	52.6 Å²	52.6	20%	0.198	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-45.2	178.5	0	0	0	0	0	111.5	W242 D276 D277 L278 W284	W242-A280 HydrophobicContact CD2-CB 3.91Å; W242-A280 HydrophobicContact CE3-CB 4.16Å; W242-A280 HydrophobicContact CH2-CB 3.96Å; W242-A280 HydrophobicContact CZ2-CB 3.68Å; W242-A280 HydrophobicContact CZ3-CB 4.19Å; D276-A280 WeakPolarHBondContact O-CB 3.24Å; D276-A280 PolarHBondContact O-N 2.97Å; D277-A280 PolarHBondContact O-N 3.17Å; L278-A280 VanDerWaalsContact C-N 3.32Å; L278-A280 PolarHBondContact O-N 3.42Å; A280-W284 WeakPolarHBondContact O-CB 3.08Å; A280-W284 PolarHBondContact O-N 2.79Å
281	I	91.8	Very high	75.6	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-60.6	-50.9	176.5	-68	159	0	0	0	111.1	L185 P238 L241 W242 D277 L278 R279 W284 L285	L185-I281 HydrophobicContact CD1-CG2 4.45Å; P238-I281 HydrophobicContact CB-CD1 3.91Å; L241-I281 HydrophobicContact CB-CD1 4.42Å; L241-I281 HydrophobicContact CD2-CD1 4.08Å; L241-I281 HydrophobicContact CD2-CG2 4.44Å; L241-I281 HydrophobicContact CG-CD1 4.45Å; W242-I281 HydrophobicContact CB-CD1 4.22Å; W242-I281 HydrophobicContact CB-CG1 4.14Å; W242-I281 HydrophobicContact CD2-CG1 4.46Å; W242-I281 HydrophobicContact CE3-CG1 3.86Å; D277-I281 WeakPolarHBondContact O-CD1 3.21Å; D277-I281 VanDerWaalsContact O-CG1 3.25Å; D277-I281 WeakPolarHBondContact O-CG1 3.33Å; D277-I281 PolarHBondContact O-N 2.82Å; L278-I281 PolarHBondContact O-N 2.82Å; R279-I281 VanDerWaalsContact C-N 3.35Å; R279-I281 PolarHBondContact O-N 2.94Å; I281-W284 PolarHBondContact O-N 3.2Å; I281-L285 HydrophobicContact CG2-CD1 3.82Å; I281-L285 HydrophobicContact CG2-CG 4.23Å; I281-L285 WeakPolarHBondContact O-CB 3.48Å; I281-L285 VanDerWaalsContact O-CG 3.24Å; I281-L285 WeakPolarHBondContact O-CG 3.4Å; I281-L285 PolarHBondContact O-N 2.89Å
282	F	90.1	Very high	73.8	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.009	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-40.5	-178.5	-86.3	-86.9	0	0	0	112.6	L185 V261 V263 L278 R279 W284 L285 H286 F382	L185-F282 HydrophobicContact CD1-CE2 3.72Å; L185-F282 HydrophobicContact CD1-CZ 4.26Å; V261-F282 HydrophobicContact CG1-CE1 4.22Å; V261-F282 HydrophobicContact CG1-CZ 3.86Å; V263-F282 HydrophobicContact CG2-CE2 4.14Å; V263-F282 HydrophobicContact CG2-CZ 3.67Å; L278-F282 HydrophobicContact CD1-CD2 4.11Å; L278-F282 HydrophobicContact CD1-CE2 3.84Å; L278-F282 HydrophobicContact CG-CD2 4.18Å; L278-F282 HydrophobicContact CG-CE2 4.31Å; L278-F282 WeakPolarHBondContact O-CD2 3.31Å; L278-F282 PolarHBondContact O-N 2.98Å; R279-F282 PolarHBondContact O-N 3.1Å; F282-W284 VanDerWaalsContact C-N 3.31Å; F282-W284 PolarHBondContact O-N 3.21Å; F282-L285 PolarHBondContact O-N 3.12Å; F282-H286 AromaticContact CD1-CE1 3.82Å; F282-H286 WeakPolarHBondContact O-CB 3.26Å; F282-H286 PolarHBondContact O-N 2.68Å; F282-H286 PolarHBondContact O-ND1 2.87Å; F282-F382 HydrophobicContact CD1-CD1 4.34Å; F282-F382 AromaticContact CD2-CD1 3.92Å; F282-F382 HydrophobicContact CD2-CD1 3.92Å; F282-F382 HydrophobicContact CD2-CE1 4.24Å; F282-F382 HydrophobicContact CE1-CB 4.3Å; F282-F382 AromaticContact CE1-CD1 3.92Å; F282-F382 HydrophobicContact CE1-CD1 3.92Å; F282-F382 AromaticContact CE2-CD1 3.47Å; F282-F382 HydrophobicContact CE2-CD1 3.47Å; F282-F382 VanDerWaalsContact CE2-CD1 3.47Å; F282-F382 AromaticContact CE2-CE1 3.72Å; F282-F382 HydrophobicContact CE2-CE1 3.72Å; F282-F382 HydrophobicContact CG-CD1 4.34Å; F282-F382 AromaticContact CZ-CD1 3.48Å; F282-F382 HydrophobicContact CZ-CD1 3.48Å; F282-F382 VanDerWaalsContact CZ-CD1 3.48Å; F282-F382 HydrophobicContact CZ-CE1 4.1Å
283	N	88.6	Confident	72.4	Confident	98 Å²	98	67.1 Å²	67.1	52%	0.524	36%	0.36	S	S	.	.	H	α-helix	trans	-60.5	-43.1	173.9	-72.1	-18	0	0	0	111.4	R279 H286 S287	R279-N283 VanDerWaalsContact O-CB 3.25Å; R279-N283 WeakPolarHBondContact O-CB 3.47Å; R279-N283 PolarHBondContact O-N 2.86Å; R279-N283 PolarHBondContact O-ND2 3.46Å; N283-H286 PolarHBondContact O-N 2.96Å; N283-S287 PolarHBondContact O-N 3.34Å; N283-S287 PolarHBondContact O-OG 2.93Å
284	W	89.2	Confident	70.5	Confident	42 Å²	42	69.7 Å²	69.7	16%	0.159	37%	0.368	C	S	.	.	H	α-helix	trans	-64.7	-43.3	176.2	178.6	80.9	0	0	0	112.2	W242 I245 L253 L255 H256 A280 I281 F282 H286 S287	W242-W284 HydrophobicContact CH2-CB 4.3Å; W242-W284 HydrophobicContact CZ3-CB 3.89Å; W242-W284 HydrophobicContact CZ3-CG 4.08Å; I245-W284 HydrophobicContact CD1-CE3 4.05Å; I245-W284 HydrophobicContact CD1-CH2 4.4Å; I245-W284 HydrophobicContact CD1-CZ3 3.91Å; I245-W284 HydrophobicContact CG1-CH2 4.45Å; I245-W284 HydrophobicContact CG1-CZ3 4.44Å; I245-W284 HydrophobicContact CG2-CD2 3.95Å; I245-W284 HydrophobicContact CG2-CE3 4.34Å; I245-W284 HydrophobicContact CG2-CG 4.47Å; I245-W284 HydrophobicContact CG2-CH2 4.24Å; I245-W284 HydrophobicContact CG2-CZ2 3.82Å; I245-W284 HydrophobicContact CG2-CZ3 4.47Å; L253-W284 HydrophobicContact CD2-CZ2 4.23Å; L255-W284 HydrophobicContact CB-CH2 3.89Å; L255-W284 HydrophobicContact CB-CZ3 3.7Å; L255-W284 HydrophobicContact CD1-CZ3 4.49Å; H256-W284 AromaticContact CD2-CH2 3.84Å; H256-W284 AromaticContact CD2-CZ2 3.48Å; H256-W284 VanDerWaalsContact CD2-CZ2 3.48Å; H256-W284 WeakPolarHBondContact CD2-CZ2 3.37Å; H256-W284 AromaticContact CE1-CD1 3.88Å; H256-W284 AromaticContact CE1-CD2 3.62Å; H256-W284 AromaticContact CE1-CE2 3.19Å; H256-W284 AromaticContact CE1-CZ2 3.45Å; H256-W284 VanDerWaalsContact CE1-CZ2 3.45Å; H256-W284 WeakPolarHBondContact CE1-CZ2 3.35Å; H256-W284 AromaticContact CE1-NE1 3.35Å; H256-W284 PolarHBondContact CE1-NE1 3.21Å; H256-W284 PolarHBondContact CE1-O 3.19Å; H256-W284 PolarHBondContact ND1-O 2.83Å; H256-W284 AromaticContact NE2-CE2 3.17Å; H256-W284 AromaticContact NE2-CH2 3.82Å; H256-W284 AromaticContact NE2-CZ2 3.04Å; H256-W284 WeakPolarHBondContact NE2-CZ2 3.44Å; H256-W284 AromaticContact NE2-NE1 3.33Å; H256-W284 PolarHBondContact NE2-NE1 2.69Å; A280-W284 WeakPolarHBondContact O-CB 3.08Å; A280-W284 PolarHBondContact O-N 2.79Å; I281-W284 PolarHBondContact O-N 3.2Å; F282-W284 VanDerWaalsContact C-N 3.31Å; F282-W284 PolarHBondContact O-N 3.21Å; W284-H286 VanDerWaalsContact C-N 3.28Å; W284-H286 PolarHBondContact O-N 3.41Å; W284-S287 PolarHBondContact O-N 3.41Å
285	L	88.8	Confident	68.7	Low	0 Å²	0	70.5 Å²	70.5	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-63.1	-31.2	174.4	-74.1	176.2	0	0	0	112.8	L183 L255 V258 V261 I281 F282 R333	L183-L285 HydrophobicContact CD2-CD1 4.38Å; L255-L285 HydrophobicContact CB-CD2 4.19Å; L255-L285 VanDerWaalsContact O-CD2 3.25Å; L255-L285 WeakPolarHBondContact O-CD2 3.49Å; V258-L285 HydrophobicContact CG1-CD2 4.11Å; V261-L285 HydrophobicContact CG2-CD1 4.5Å; I281-L285 HydrophobicContact CG2-CD1 3.82Å; I281-L285 HydrophobicContact CG2-CG 4.23Å; I281-L285 WeakPolarHBondContact O-CB 3.48Å; I281-L285 VanDerWaalsContact O-CG 3.24Å; I281-L285 WeakPolarHBondContact O-CG 3.4Å; I281-L285 PolarHBondContact O-N 2.89Å; F282-L285 PolarHBondContact O-N 3.12Å; L285-R333 PolarHBondContact O-NH1 3.42Å; L285-R333 PolarHBondContact O-NH2 3.34Å
286	H	83.1	Confident	66.2	Low	49 Å²	49	78.7 Å²	78.7	23%	0.227	43%	0.425	C	S	.	.	H	α-helix	trans	-87.4	-24.9	178.8	-64.3	145.3	0	0	0	114	F282 N283 W284 S288 S289 R333	F282-H286 AromaticContact CD1-CE1 3.82Å; F282-H286 WeakPolarHBondContact O-CB 3.26Å; F282-H286 PolarHBondContact O-N 2.68Å; F282-H286 PolarHBondContact O-ND1 2.87Å; N283-H286 PolarHBondContact O-N 2.96Å; W284-H286 VanDerWaalsContact C-N 3.28Å; W284-H286 PolarHBondContact O-N 3.41Å; H286-S288 PolarHBondContact O-N 2.75Å; H286-S288 VanDerWaalsContact O-N 3.08Å; H286-S289 WeakPolarHBondContact O-CB 3.36Å; H286-S289 PolarHBondContact O-N 3.29Å; H286-S289 PolarHBondContact O-OG 3.41Å; H286-R333 PolarHBondContact CD2-NH1 3.24Å
287	S	79.1	Confident	63.3	Low	65 Å²	65	82.4 Å²	82.4	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-56.6	-30	-176.9	-63.6	0	0	0	0	113.3	N283 W284 S289	N283-S287 PolarHBondContact O-N 3.34Å; N283-S287 PolarHBondContact O-OG 2.93Å; W284-S287 PolarHBondContact O-N 3.41Å; S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 2.65Å
288	S	59.9	Low	60.4	Low	68 Å²	68	88.5 Å²	88.5	48%	0.476	47%	0.466	S	S	.	.	H	α-helix	trans	-75.6	-19.5	178.2	-164	0	0	0	0	113.4	H286	H286-S288 PolarHBondContact O-N 2.75Å; H286-S288 VanDerWaalsContact O-N 3.08Å
289	S	51.9	Low	57.2	Low	69 Å²	69	97.2 Å²	97.2	48%	0.483	51%	0.506	S	S	.	.	H	α-helix	trans	-78.6	-17.4	178.9	69.2	0	0	0	0	114.2	H286 S287	H286-S289 WeakPolarHBondContact O-CB 3.36Å; H286-S289 PolarHBondContact O-N 3.29Å; H286-S289 PolarHBondContact O-OG 3.41Å; S287-S289 VanDerWaalsContact C-N 3.33Å; S287-S289 PolarHBondContact O-N 2.65Å
290	S	41.7	Very low	54.3	Low	81 Å²	81	100.2 Å²	100.2	57%	0.566	53%	0.525	S	S	*	.	H	α-helix	trans	-100.1	-14.8	-177.2	-62.4	0	0	0	0	114.5	N292 N293	S290-N292 PolarHBondContact O-N 2.9Å; S290-N293 PolarHBondContact O-N 3Å
291	F	40.4	Very low	51.1	Low	178 Å²	178	107.5 Å²	107.5	78%	0.781	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-12.5	-175	-111.4	-84.9	0	0	0	114.8
292	N	33.8	Very low	47.9	Very low	127 Å²	127	114 Å²	114	68%	0.679	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.1	16.1	-179.8	-70.9	8.8	0	0	0	114.2	S290	S290-N292 PolarHBondContact O-N 2.9Å
293	N	29.6	Very low	44.9	Very low	117 Å²	117	121 Å²	121	63%	0.626	63%	0.633	S	S	*	*			trans	-113.8	6.5	177.9	-98.8	21.3	0	0	0	114.5	S290 G295	S290-N293 PolarHBondContact O-N 3Å; N293-G295 PolarHBondContact O-N 3.12Å
294	E	28.9	Very low	42	Very low	200 Å²	200	121.5 Å²	121.5	94%	0.935	64%	0.64	S	S	*	*			trans	-79.8	78	163.9	-71.7	-171.2	174.7	0	0	109
295	G	29.2	Very low	39.1	Very low	66 Å²	66	127.8 Å²	127.8	68%	0.68	67%	0.671	S	S	*	*			trans	-172.9	32.6	178.6	0	0	0	0	0	111.6	N293	N293-G295 PolarHBondContact O-N 3.12Å
296	K	25.6	Very low	36.2	Very low	184 Å²	184	135.5 Å²	135.5	80%	0.8	71%	0.711	S	S	*	*			trans	-147.2	94.4	162.8	-69.8	-162.6	177.3	-173.8	0	108	E298	K296-E298 PolarHBondContact O-N 2.75Å
297	E	23.4	Very low	33.6	Very low	196 Å²	196	142.9 Å²	142.9	92%	0.916	74%	0.742	S	S	*	*			trans	-59.1	107.3	159	-65.6	172.4	162.2	0	0	107.1
298	E	27.1	Very low	31.1	Very low	175 Å²	175	149.9 Å²	149.9	82%	0.818	76%	0.764	S	S	*	*			trans	-123	104.9	157.8	-80.4	-177	-173.3	0	0	107	K296 Q300	K296-E298 PolarHBondContact O-N 2.75Å; E298-Q300 PolarHBondContact O-N 2.8Å
299	E	22.7	Very low	29.6	Very low	183 Å²	183	152.7 Å²	152.7	86%	0.855	78%	0.779	S	S	*	*			trans	-53	123.5	162.9	-60	173.3	146.9	0	0	109.3
300	Q	24.5	Very low	28.5	Very low	180 Å²	180	157.1 Å²	157.1	84%	0.841	80%	0.796	S	S	*	*			trans	179.6	108.9	138.1	-99.7	161.2	6.8	0	0	111.8	E298	E298-Q300 PolarHBondContact O-N 2.8Å
301	E	24.3	Very low	27.7	Very low	176 Å²	176	160.8 Å²	160.8	82%	0.822	81%	0.81	S	S	*	*			trans	48.7	116.2	133.8	-65	-177.9	163.3	0	0	121.5
302	D	24.3	Very low	27.1	Very low	139 Å²	139	160 Å²	160	74%	0.743	81%	0.813	S	S	*	*			trans	53.8	88.4	134.2	-70.9	-9.8	0	0	0	120
303	T	27.6	Very low	26.7	Very low	149 Å²	149	163.7 Å²	163.7	91%	0.914	82%	0.823	S	S	*	*				-139.8	102.6	130	38.8	0	0	0	0	110.4
304	T	26.7	Very low	26.8	Very low	107 Å²	107	170 Å²	170	66%	0.656	84%	0.838	S	S	*	*			trans	-73.2	154.3	176.2	46.5	0	0	0	0	111.4
305	H	29.2	Very low	26.4	Very low	175 Å²	175	170.2 Å²	170.2	81%	0.81	84%	0.836	S	S	*	*	S	Bend	trans	80.9	65.5	168	-57.2	-82.1	0	0	0	119.7
306	L	28	Very low	26.4	Very low	162 Å²	162	175.9 Å²	175.9	85%	0.848	84%	0.844	S	S	*	*	S	Bend	trans	-163.7	-0.7	131.7	-140.2	57.8	0	0	0	117.2
307	K	27.7	Very low	26.5	Very low	204 Å²	204	176.6 Å²	176.6	89%	0.887	85%	0.847	S	S	*	*	S	Bend	trans	-98.3	2.7	-173.6	-76.6	-175	177.2	176.9	0	116.9
308	K	26.9	Very low	26.6	Very low	211 Å²	211	174.6 Å²	174.6	92%	0.917	84%	0.842	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	0.4	-175.2	-91.7	-176.6	177.1	177.2	0	116.7
309	T	28.7	Very low	26.8	Very low	127 Å²	127	173.2 Å²	173.2	78%	0.779	84%	0.839	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	8	-173.6	-4.8	0	0	0	0	116.7
310	L	28.4	Very low	26.8	Very low	162 Å²	162	172.9 Å²	172.9	85%	0.848	84%	0.837	S	S	*	*	S	Bend	trans	-125.1	9.2	-176.9	-72.2	174	0	0	0	116.6
311	N	25.7	Very low	27	Very low	158 Å²	158	172.1 Å²	172.1	85%	0.845	84%	0.836	S	S	*	*			trans	-98	19.8	178.7	-81.4	-1.5	0	0	0	115.6
312	L	27.3	Very low	27.1	Very low	163 Å²	163	168.7 Å²	168.7	85%	0.853	83%	0.831	S	S	*	*	S	Bend	trans	-114.5	104.5	163.9	-86.5	85.1	0	0	0	109.4
313	K	24.5	Very low	27.2	Very low	203 Å²	203	169.3 Å²	169.3	88%	0.883	84%	0.835	S	S	*	*			trans	128.7	61.9	164.5	-71.3	174.4	179.6	-176.7	0	113.7
314	R	31.3	Very low	27.2	Very low	249 Å²	249	170.6 Å²	170.6	94%	0.94	83%	0.83	S	S	*	*			trans	-137.8	70.2	150.1	-73.5	-166.3	176.8	121.3	-1.7	109.8
315	K	21.8	Very low	27.3	Very low	205 Å²	205	171.1 Å²	171.1	89%	0.891	84%	0.838	S	S	*	*			trans	-106	82.2	162.3	-125.2	-175.7	-176.9	179.9	0	106.2
316	H	29.6	Very low	27.5	Very low	186 Å²	186	167 Å²	167	86%	0.861	83%	0.825	S	S	*	*			trans	-131.3	98.6	166.6	-89.5	-79.3	0	0	0	108.8
317	K	27.2	Very low	27.8	Very low	198 Å²	198	166.1 Å²	166.1	86%	0.861	82%	0.821	S	S	*	*			trans	28.4	95.5	151	-122.5	172.8	178	-178.7	0	116.5	I319	K317-I319 PolarHBondContact O-N 3.37Å
318	L	25.4	Very low	28.4	Very low	155 Å²	155	162.7 Å²	162.7	81%	0.812	81%	0.81	S	S	*	*			trans	-53.3	117.3	158.9	-160.4	74.5	0	0	0	108.8	E320	L318-E320 HydrophobicContact CD2-CG 4.42Å
319	I	30.5	Very low	29.3	Very low	145 Å²	145	159.4 Å²	159.4	74%	0.744	80%	0.802	S	S	*	*			trans	-98.6	108.8	160.5	-66.3	175.5	0	0	0	104.5	K317 M321	K317-I319 PolarHBondContact O-N 3.37Å; I319-M321 HydrophobicContact CG2-CG 4.37Å; I319-M321 PolarHBondContact O-N 3.46Å; I319-M321 VanDerWaalsContact O-N 3.15Å
320	E	23.5	Very low	30.7	Very low	176 Å²	176	163 Å²	163	82%	0.822	80%	0.802	S	S	*	*			trans	-61.8	107.3	171.7	-69	170.9	170.9	0	0	108.4	L318	L318-E320 HydrophobicContact CD2-CG 4.42Å
321	M	28.3	Very low	32.6	Very low	165 Å²	165	157.8 Å²	157.8	81%	0.813	78%	0.776	S	S	*	*			trans	-106.3	114.8	164.9	-76.7	-76.3	-70.9	0	0	106.6	I319	I319-M321 HydrophobicContact CG2-CG 4.37Å; I319-M321 PolarHBondContact O-N 3.46Å; I319-M321 VanDerWaalsContact O-N 3.15Å
322	S	26.6	Very low	35.3	Very low	104 Å²	104	156.9 Å²	156.9	73%	0.727	77%	0.767	S	S	*	*			trans	-41.9	138.9	179.5	50.2	0	0	0	0	114.8	H324	S322-H324 PolarHBondContact O-N 3.4Å; S322-H324 VanDerWaalsContact O-N 3.15Å
323	D	26.3	Very low	38.3	Very low	152 Å²	152	151 Å²	151	81%	0.813	73%	0.733	S	S	*	*			trans	-50.5	103.8	179.1	-61.7	-50.7	0	0	0	114.2
324	H	28.3	Very low	41.7	Very low	175 Å²	175	141.7 Å²	141.7	81%	0.81	69%	0.693	S	S	*	*			trans	-130.2	81.9	146.9	-81.9	-57.6	0	0	0	107.1	S322 T326	S322-H324 PolarHBondContact O-N 3.4Å; S322-H324 VanDerWaalsContact O-N 3.15Å; H324-T326 PolarHBondContact O-N 3.4Å
325	S	29.4	Very low	44.7	Very low	118 Å²	118	130.1 Å²	130.1	83%	0.825	65%	0.65	S	S	*	*			trans	-70.2	71.6	173.7	48.5	0	0	0	0	110.6	D327	S325-D327 PolarHBondContact O-N 3.1Å
326	T	32.9	Very low	48.3	Very low	88 Å²	88	120.4 Å²	120.4	54%	0.54	61%	0.608	S	S	.	*			trans	-69.2	110.6	155.2	37.5	0	0	0	0	107.2	H324 M328	H324-T326 PolarHBondContact O-N 3.4Å; T326-M328 PolarHBondContact O-N 3.09Å
327	D	34.6	Very low	51.4	Low	144 Å²	144	111.5 Å²	111.5	77%	0.77	57%	0.567	S	S	*	*			trans	-41.3	101.5	167.1	-99	-34.1	0	0	0	109.3	S325 N329	S325-D327 PolarHBondContact O-N 3.1Å; D327-N329 PolarHBondContact O-N 3.29Å
328	M	39.8	Very low	54.5	Low	133 Å²	133	102.1 Å²	102.1	66%	0.655	53%	0.526	S	S	*	.			trans	-70.5	85.6	171.4	-76	-74.9	-179.4	0	0	106.3	T326 R330	T326-M328 PolarHBondContact O-N 3.09Å; M328-R330 PolarHBondContact O-N 3.05Å
329	N	45.8	Very low	57.6	Low	141 Å²	141	94.8 Å²	94.8	75%	0.754	49%	0.487	S	S	*	.			trans	-37.2	116.7	172.3	-91.5	-34.1	0	0	0	109.1	D327 V331	D327-N329 PolarHBondContact O-N 3.29Å; N329-V331 WeakPolarHBondContact O-CG2 3.49Å; N329-V331 PolarHBondContact O-N 2.82Å
330	R	57.1	Low	60.1	Low	203 Å²	203	87.9 Å²	87.9	77%	0.766	45%	0.452	S	S	*	.			trans	-49	98.2	-178.7	-177.1	179.4	-179.5	168.5	1.8	109.4	M328 Q332	M328-R330 PolarHBondContact O-N 3.05Å; R330-Q332 PolarHBondContact O-N 3.47Å; R330-Q332 VanDerWaalsContact O-N 3.1Å
331	V	69.3	Low	62.7	Low	52 Å²	52	79.5 Å²	79.5	32%	0.315	41%	0.413	S	S	.	.			trans	-68.2	117.5	-173.8	-178.9	0	0	0	0	108.5	S257 N259 N329 R333	S257-V331 WeakPolarHBondContact O-CG1 3.18Å; N259-V331 HydrophobicContact CB-CG1 4.48Å; N259-V331 WeakPolarHBondContact ND2-CG1 3.23Å; N329-V331 WeakPolarHBondContact O-CG2 3.49Å; N329-V331 PolarHBondContact O-N 2.82Å; V331-R333 PolarHBondContact O-N 2.88Å
332	Q	82.6	Confident	64.9	Low	139 Å²	139	71.8 Å²	71.8	65%	0.65	38%	0.375	S	S	*	.			trans	-66.6	102.3	171	-170.1	-177.4	31	0	0	108.7	R330	R330-Q332 PolarHBondContact O-N 3.47Å; R330-Q332 VanDerWaalsContact O-N 3.1Å
333	R	90.7	Very high	67	Low	39 Å²	39	67.3 Å²	67.3	15%	0.147	34%	0.343	C	S	.	.			trans	-84	138.9	176.7	-169.6	179	-64.4	148.2	1	110.9	H256 V258 N259 V261 L285 H286 V331 K385	H256-R333 PolarHBondContact O-NH2 2.93Å; V258-R333 PolarHBondContact O-NE 2.82Å; N259-R333 CarbonylContact O-C 3.55Å; N259-R333 WeakPolarHBondContact O-CA 3.33Å; V261-R333 HydrophobicContact CG2-CG 4.25Å; L285-R333 PolarHBondContact O-NH1 3.42Å; L285-R333 PolarHBondContact O-NH2 3.34Å; H286-R333 PolarHBondContact CD2-NH1 3.24Å; V331-R333 PolarHBondContact O-N 2.88Å; R333-K385 PolarHBondContact O-NZ 3.24Å
334	Q	94.2	Very high	69.2	Low	8 Å²	8	61.2 Å²	61.2	4%	0.037	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.3	170.5	-177.3	-179.6	25.7	0	0	109.3	A52 S57 D58 N259 V260 V261 L336	A52-Q334 PolarHBondContact O-NE2 3.49Å; S57-Q334 PolarHBondContact O-NE2 3.35Å; D58-Q334 WeakPolarHBondContact OD1-CA 3.12Å; N259-Q334 PolarHBondContact O-N 2.97Å; V260-Q334 WeakPolarHBondContact CA-O 3.02Å; V261-Q334 PolarHBondContact N-O 2.84Å; Q334-L336 HydrophobicContact CG-CD2 4.14Å; Q334-L336 HydrophobicContact CG-CG 4.47Å
335	T	95.2	Very high	71.1	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.037	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.6	179.5	-57.6	0	0	0	0	111	D58 V59 V261 I337 L384	D58-T335 VanDerWaalsContact CA-O 3.22Å; D58-T335 WeakPolarHBondContact CA-O 3.46Å; D58-T335 WeakPolarHBondContact CB-O 3.4Å; D58-T335 PolarHBondContact OD1-N 2.69Å; V59-T335 PolarHBondContact N-O 2.76Å; V261-T335 CarbonylContact O-C 3.59Å; V261-T335 VanDerWaalsContact O-CA 3.31Å; V261-T335 WeakPolarHBondContact O-CA 3.38Å; T335-I337 HydrophobicContact CG2-CD1 4.26Å; T335-I337 HydrophobicContact CG2-CG1 3.96Å; T335-L384 HydrophobicContact CG2-CD2 3.65Å
336	L	96.6	Very high	72.9	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.7	-177.9	-56.7	-178.8	0	0	0	109.4	A52 V59 F73 P76 V260 V261 V262 V263 Q334 F338	A52-L336 HydrophobicContact CB-CD2 3.92Å; V59-L336 HydrophobicContact CB-CD2 3.78Å; V59-L336 HydrophobicContact CG2-CD2 3.95Å; V59-L336 CarbonylContact O-C 3.57Å; V59-L336 WeakPolarHBondContact O-CA 3.44Å; F73-L336 HydrophobicContact CB-CB 4.48Å; F73-L336 HydrophobicContact CB-CD1 4.17Å; P76-L336 HydrophobicContact CB-CD1 4.31Å; V260-L336 HydrophobicContact CG1-CD1 4.2Å; V261-L336 PolarHBondContact O-N 3.38Å; V262-L336 CarbonylContact C-O 3.47Å; V262-L336 VanDerWaalsContact CA-O 3.22Å; V262-L336 WeakPolarHBondContact CA-O 3.31Å; V262-L336 HydrophobicContact CG2-CB 4.19Å; V262-L336 HydrophobicContact CG2-CD1 4.22Å; V263-L336 PolarHBondContact N-O 2.84Å; Q334-L336 HydrophobicContact CG-CD2 4.14Å; Q334-L336 HydrophobicContact CG-CG 4.47Å; L336-F338 HydrophobicContact CB-CD2 4.49Å; L336-F338 HydrophobicContact CB-CE2 4.1Å
337	I	94.7	Very high	73.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.3	-175.6	-52	-168.8	0	0	0	109.4	V59 L60 G61 V263 A266 T335 L342 F382 L384	V59-I337 PolarHBondContact O-N 3.49Å; L60-I337 CarbonylContact C-O 3.52Å; L60-I337 WeakPolarHBondContact CA-O 3.2Å; L60-I337 HydrophobicContact CD1-CB 3.65Å; L60-I337 HydrophobicContact CD1-CG2 3.6Å; G61-I337 PolarHBondContact N-O 2.89Å; V263-I337 HydrophobicContact CB-CG1 4.19Å; V263-I337 HydrophobicContact CB-CG2 4.29Å; V263-I337 HydrophobicContact CG1-CG2 4.31Å; V263-I337 CarbonylContact O-C 3.53Å; V263-I337 WeakPolarHBondContact O-CA 3.46Å; A266-I337 HydrophobicContact CB-CG2 3.49Å; A266-I337 VanDerWaalsContact CB-CG2 3.49Å; T335-I337 HydrophobicContact CG2-CD1 4.26Å; T335-I337 HydrophobicContact CG2-CG1 3.96Å; I337-L342 HydrophobicContact CG2-CD2 4.42Å; I337-F382 HydrophobicContact CD1-CB 3.52Å; I337-F382 HydrophobicContact CD1-CD1 4.27Å; I337-F382 HydrophobicContact CD1-CD2 3.29Å; I337-F382 HydrophobicContact CD1-CE2 3.99Å; I337-F382 HydrophobicContact CD1-CG 3.43Å; I337-F382 VanDerWaalsContact CD1-CG 3.43Å; I337-L384 HydrophobicContact CD1-CD1 3.91Å; I337-L384 HydrophobicContact CD1-CD2 3.82Å; I337-L384 HydrophobicContact CD1-CG 4.05Å; I337-L384 HydrophobicContact CG1-CD2 4.19Å
338	F	93.5	Very high	74.8	Confident	1 Å²	1	47 Å²	47	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.4	-177	-76.4	-94.9	0	0	0	111.5	I44 A48 V59 G61 K69 A72 F73 V263 D264 E265 A266 L336	I44-F338 HydrophobicContact CD1-CE1 4.28Å; I44-F338 HydrophobicContact CG1-CE1 4.11Å; A48-F338 HydrophobicContact CB-CE1 4.13Å; A48-F338 HydrophobicContact CB-CZ 3.88Å; V59-F338 HydrophobicContact CG1-CZ 4.28Å; G61-F338 WeakPolarHBondContact O-CA 3.3Å; K69-F338 HydrophobicContact CB-CD1 4.09Å; K69-F338 HydrophobicContact CD-CB 4.25Å; K69-F338 HydrophobicContact CD-CD1 4.16Å; K69-F338 HydrophobicContact CG-CD1 4.17Å; A72-F338 HydrophobicContact CB-CE1 3.9Å; A72-F338 HydrophobicContact CB-CZ 4.18Å; F73-F338 HydrophobicContact CB-CD2 3.81Å; F73-F338 HydrophobicContact CB-CE2 3.54Å; F73-F338 HydrophobicContact CB-CZ 4.19Å; F73-F338 HydrophobicContact CD1-CB 4.34Å; F73-F338 AromaticContact CD1-CD2 3.84Å; F73-F338 HydrophobicContact CD1-CD2 3.84Å; F73-F338 HydrophobicContact CD1-CE2 4.35Å; F73-F338 HydrophobicContact CD1-CG 4.04Å; F73-F338 HydrophobicContact CG-CD2 4.29Å; F73-F338 HydrophobicContact CG-CE2 4.46Å; V263-F338 PolarHBondContact O-N 3.46Å; D264-F338 CarbonylContact C-O 3.53Å; E265-F338 PolarHBondContact N-O 3.22Å; A266-F338 PolarHBondContact N-O 2.87Å; A266-F338 VanDerWaalsContact N-O 3.07Å; L336-F338 HydrophobicContact CB-CD2 4.49Å; L336-F338 HydrophobicContact CB-CE2 4.1Å
339	S	89	Confident	75.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	162.5	177.7	172.6	0	0	0	0	111.1	G61 S62 A63 D267 T341 L342	G61-S339 PolarHBondContact O-N 3.15Å; G61-S339 VanDerWaalsContact O-N 3.13Å; S62-S339 WeakPolarHBondContact CA-O 3.11Å; A63-S339 PolarHBondContact N-O 3.4Å; D267-S339 WeakPolarHBondContact CB-OG 3.44Å; D267-S339 PolarHBondContact OD1-OG 3.01Å; S339-T341 PolarHBondContact OG-N 2.91Å; S339-L342 PolarHBondContact OG-N 3.2Å
340	A	83.6	Confident	76	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-87.9	-35.8	172.7	0	0	0	0	0	114.3	A63 T65	A63-A340 VanDerWaalsContact O-CA 3.25Å; A63-A340 WeakPolarHBondContact O-CA 3.48Å; T65-A340 HydrophobicContact CG2-CB 3.91Å
341	T	79.2	Confident	75.8	Confident	1 Å²	1	35 Å²	35	1%	0.006	20%	0.201	C	C	.	.	S	Bend	trans	-126.3	21.4	-168.9	65.5	0	0	0	0	112.2	D267 S339 F344 K374 E556 I559	D267-T341 PolarHBondContact OD2-OG1 2.8Å; S339-T341 PolarHBondContact OG-N 2.91Å; T341-F344 WeakPolarHBondContact O-CB 3.43Å; T341-F344 PolarHBondContact O-N 3.05Å; T341-K374 PolarHBondContact O-NZ 2.9Å; T341-E556 HydrophobicContact CG2-CB 4.16Å; T341-E556 HydrophobicContact CG2-CG 4.39Å; T341-I559 HydrophobicContact CG2-CB 4.2Å; T341-I559 HydrophobicContact CG2-CD1 3.9Å; T341-I559 HydrophobicContact CG2-CG2 3.94Å
342	L	73.9	Confident	75.1	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	-70.9	-44.4	-177.1	-161.3	72.8	0	0	0	111.3	L60 A266 D267 I270 I337 S339 F344 K374 L378	L60-L342 HydrophobicContact CD1-CD2 3.6Å; A266-L342 HydrophobicContact CB-CD1 4.44Å; A266-L342 HydrophobicContact CB-CD2 4.41Å; D267-L342 HydrophobicContact CB-CD1 4.02Å; I270-L342 HydrophobicContact CD1-CD1 3.86Å; I337-L342 HydrophobicContact CG2-CD2 4.42Å; S339-L342 PolarHBondContact OG-N 3.2Å; L342-F344 PolarHBondContact O-N 3.07Å; L342-K374 WeakPolarHBondContact O-CD 3.22Å; L342-K374 VanDerWaalsContact O-CE 3.26Å; L342-K374 WeakPolarHBondContact O-CE 3.39Å; L342-K374 PolarHBondContact O-NZ 2.97Å; L342-L378 HydrophobicContact CD1-CD1 3.98Å; L342-L378 HydrophobicContact CD1-CD2 4.03Å; L342-L378 HydrophobicContact CD2-CD1 3.31Å; L342-L378 HydrophobicContact CD2-CD2 3.97Å; L342-L378 HydrophobicContact CD2-CG 4.28Å; L342-L378 HydrophobicContact CG-CD1 3.57Å; L342-L378 HydrophobicContact CG-CD2 4.41Å
343	T	70.9	Confident	73.8	Confident	11 Å²	11	28 Å²	28	7%	0.067	17%	0.173	C	C	.	.	S	Bend	trans	-79	-8.3	175.2	51	0	0	0	0	113.5	S62 V345 D392 S394	S62-T343 VanDerWaalsContact CB-OG1 3.32Å; S62-T343 WeakPolarHBondContact CB-OG1 3.29Å; S62-T343 PolarHBondContact OG-OG1 3.48Å; T343-V345 PolarHBondContact O-N 2.94Å; T343-D392 WeakPolarHBondContact CB-OD2 3.22Å; T343-D392 HydrophobicContact CG2-CB 4.36Å; T343-D392 WeakPolarHBondContact CG2-OD2 3.27Å; T343-D392 PolarHBondContact OG1-OD1 3.07Å; T343-D392 PolarHBondContact OG1-OD2 3Å; T343-S394 PolarHBondContact OG1-OG 3.37Å
344	F	72.9	Confident	72	Confident	24 Å²	24	28.7 Å²	28.7	11%	0.105	18%	0.181	C	C	.	.			trans	-68.1	126	173.2	-172.3	-104.3	0	0	0	110.5	T341 L342 H346 K374 A555 E556 I559 S592 L593	T341-F344 WeakPolarHBondContact O-CB 3.43Å; T341-F344 PolarHBondContact O-N 3.05Å; L342-F344 PolarHBondContact O-N 3.07Å; F344-H346 AromaticContact CD1-CD2 3.96Å; F344-H346 HydrophobicContact CE1-CB 4.32Å; F344-H346 AromaticContact CE1-CD2 3.52Å; F344-K374 PolarHBondContact O-NZ 2.82Å; F344-A555 HydrophobicContact CE1-CB 3.8Å; F344-A555 HydrophobicContact CZ-CB 4.03Å; F344-E556 HydrophobicContact CD1-CG 4.01Å; F344-E556 HydrophobicContact CE1-CG 4.44Å; F344-I559 HydrophobicContact CZ-CD1 4.49Å; F344-S592 WeakPolarHBondContact CZ-O 3.39Å; F344-L593 HydrophobicContact CE2-CD2 4.21Å; F344-L593 HydrophobicContact CZ-CD2 3.85Å
345	V	67.9	Low	69.8	Low	35 Å²	35	29.2 Å²	29.2	21%	0.212	19%	0.189	C	C	.	.			trans	-135.5	128.2	-176.2	177.7	0	0	0	0	108.6	T343 M369 K371	T343-V345 PolarHBondContact O-N 2.94Å; V345-M369 HydrophobicContact CG1-CE 4.25Å; V345-M369 WeakPolarHBondContact CG1-O 3.5Å; V345-M369 HydrophobicContact CG2-CE 3.81Å; V345-K371 HydrophobicContact CG2-CB 4.17Å
346	H	66.3	Low	67.5	Low	28 Å²	28	33.5 Å²	33.5	13%	0.13	22%	0.219	C	C	.	.			trans	-139.1	163.7	178.1	66.5	81.5	0	0	0	111.2	F344 G348 A349 E556	F344-H346 AromaticContact CD1-CD2 3.96Å; F344-H346 HydrophobicContact CE1-CB 4.32Å; F344-H346 AromaticContact CE1-CD2 3.52Å; H346-G348 PolarHBondContact O-N 2.84Å; H346-A349 VanDerWaalsContact O-CB 3.31Å; H346-A349 WeakPolarHBondContact O-CB 3.34Å; H346-A349 PolarHBondContact O-N 2.96Å; H346-E556 IonicContact CD2-OE1 3.22Å; H346-E556 IonicContact NE2-OE1 2.69Å; H346-E556 PolarHBondContact NE2-OE1 3Å; H346-E556 IonicContact NE2-OE2 2.93Å
347	S	53.1	Low	64.9	Low	97 Å²	97	43.1 Å²	43.1	68%	0.678	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	123.6	173.4	-62.4	0	0	0	0	110.3
348	G	54.6	Low	62.2	Low	66 Å²	66	48.9 Å²	48.9	68%	0.68	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.6	5.3	-177.3	0	0	0	0	0	115.8	H346 L350	H346-G348 PolarHBondContact O-N 2.84Å; G348-L350 PolarHBondContact O-N 2.95Å
349	A	55.3	Low	59.3	Low	15 Å²	15	55.8 Å²	55.8	12%	0.124	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-56.6	123.5	170.6	0	0	0	0	0	110.5	H346 M369	H346-A349 VanDerWaalsContact O-CB 3.31Å; H346-A349 WeakPolarHBondContact O-CB 3.34Å; H346-A349 PolarHBondContact O-N 2.96Å; A349-M369 HydrophobicContact CB-CB 4.29Å; A349-M369 HydrophobicContact CB-CE 4.2Å
350	L	54.8	Low	56.7	Low	112 Å²	112	64.7 Å²	64.7	59%	0.586	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-66.9	150.4	-178.7	-68.8	171.6	0	0	0	111.1	G348	G348-L350 PolarHBondContact O-N 2.95Å
351	K	53.5	Low	54.3	Low	98 Å²	98	71.7 Å²	71.7	43%	0.426	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-64.7	140.9	168.5	-78	-174.7	179	-178.6	0	109.3	G353 T354	K351-G353 PolarHBondContact O-N 3.21Å; K351-T354 HydrophobicContact CB-CG2 3.91Å; K351-T354 PolarHBondContact O-N 3.19Å; K351-T354 VanDerWaalsContact O-N 3.16Å; K351-T354 PolarHBondContact O-OG1 3.27Å
352	P	55.4	Low	52.2	Low	23 Å²	23	77.3 Å²	77.3	15%	0.149	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.5	126.5	167.3	-35.4	41.4	0	0	0	112.8	I270 F275 T354 V377 M381	I270-P352 HydrophobicContact CG2-CB 3.31Å; I270-P352 HydrophobicContact CG2-CG 3.86Å; F275-P352 HydrophobicContact CE2-CB 4.43Å; P352-T354 VanDerWaalsContact C-N 3.32Å; P352-T354 PolarHBondContact O-N 3.41Å; P352-V377 HydrophobicContact CB-CG1 3.72Å; P352-V377 HydrophobicContact CG-CB 4.37Å; P352-V377 HydrophobicContact CG-CG1 3.73Å; P352-M381 HydrophobicContact CB-CE 3.97Å
353	G	55.4	Low	50.6	Low	22 Å²	22	83 Å²	83	23%	0.227	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	-8.6	177.7	0	0	0	0	0	117.4	I270 F275 K351 G355	I270-G353 PolarHBondContact O-N 3.04Å; F275-G353 VanDerWaalsContact CD2-CA 3.49Å; F275-G353 VanDerWaalsContact CE2-CA 3.47Å; K351-G353 PolarHBondContact O-N 3.21Å; G353-G355 PolarHBondContact O-N 3.05Å
354	T	52.4	Low	48.9	Very low	52 Å²	52	89.4 Å²	89.4	32%	0.319	50%	0.499	S	S	.	.			trans	-82	98.4	172.6	59.4	0	0	0	0	109.2	K351 P352	K351-T354 HydrophobicContact CB-CG2 3.91Å; K351-T354 PolarHBondContact O-N 3.19Å; K351-T354 VanDerWaalsContact O-N 3.16Å; K351-T354 PolarHBondContact O-OG1 3.27Å; P352-T354 VanDerWaalsContact C-N 3.32Å; P352-T354 PolarHBondContact O-N 3.41Å
355	G	47.3	Very low	47.5	Very low	19 Å²	19	96 Å²	96	20%	0.196	54%	0.536	C	S	.	.			trans	-61.1	156	172.2	0	0	0	0	0	112.3	G353 K357 N358	G353-G355 PolarHBondContact O-N 3.05Å; G355-K357 PolarHBondContact O-N 3.09Å; G355-N358 PolarHBondContact O-N 2.92Å
356	S	48.1	Very low	46.4	Very low	96 Å²	96	103.1 Å²	103.1	67%	0.671	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	-15.5	179.2	-170.6	0	0	0	0	114.5	H359	S356-H359 PolarHBondContact O-CD2 3.26Å
357	K	41	Very low	45.7	Very low	204 Å²	204	108.2 Å²	108.2	89%	0.887	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-15.7	179.1	-65.3	-172.6	177.4	-176.8	0	114.3	G355 H359	G355-K357 PolarHBondContact O-N 3.09Å; K357-H359 PolarHBondContact O-N 3.25Å
358	N	37.3	Very low	45.9	Very low	121 Å²	121	107.8 Å²	107.8	65%	0.647	59%	0.585	S	S	*	*			trans	-101.1	66.9	176.9	-78.3	-18.5	0	0	0	110.5	G355 K360	G355-N358 PolarHBondContact O-N 2.92Å; N358-K360 PolarHBondContact O-N 3.1Å
359	H	34.4	Very low	46.4	Very low	145 Å²	145	105.4 Å²	105.4	67%	0.671	56%	0.557	S	S	*	*			trans	-72.7	41.3	165	-91.7	-79.4	0	0	0	112	S356 K357 L361	S356-H359 PolarHBondContact O-CD2 3.26Å; K357-H359 PolarHBondContact O-N 3.25Å; H359-L361 PolarHBondContact O-N 3.13Å
360	K	33.1	Very low	47.3	Very low	187 Å²	187	107.5 Å²	107.5	81%	0.813	57%	0.568	S	S	*	*			trans	-75.3	82.3	161.3	-75.1	-169.9	179.4	-178	0	106.9	N358 L362	N358-K360 PolarHBondContact O-N 3.1Å; K360-L362 PolarHBondContact O-N 2.96Å
361	L	33.9	Very low	48.2	Very low	148 Å²	148	106.1 Å²	106.1	78%	0.775	56%	0.557	S	S	*	*			trans	-45	109.4	160.2	-69	161.6	0	0	0	106.2	H359	H359-L361 PolarHBondContact O-N 3.13Å
362	L	35	Very low	49.2	Very low	119 Å²	119	110 Å²	110	62%	0.623	57%	0.574	S	S	*	*			trans	-59.9	143.7	164.1	-77	89.8	0	0	0	107	K360 N364	K360-L362 PolarHBondContact O-N 2.96Å; L362-N364 VanDerWaalsContact C-N 3.31Å; L362-N364 PolarHBondContact O-N 3.49Å
363	P	39.3	Very low	50.2	Low	121 Å²	121	112.5 Å²	112.5	79%	0.786	59%	0.585	S	S	*	*	S	Bend	trans	-69.9	91.1	-178.1	29.1	-31.8	0	0	0	108.8
364	N	35.1	Very low	51.2	Low	145 Å²	145	112.5 Å²	112.5	78%	0.775	58%	0.579	S	S	*	*			trans	170.8	120.9	143	-89.8	-17.9	0	0	0	110	L362 K366	L362-N364 VanDerWaalsContact C-N 3.31Å; L362-N364 PolarHBondContact O-N 3.49Å; N364-K366 PolarHBondContact O-N 2.96Å
365	N	43.8	Very low	52.4	Low	164 Å²	164	111.4 Å²	111.4	88%	0.877	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	31.3	-161.9	-159.3	9.1	0	0	0	115.4
366	K	44.5	Very low	53.9	Low	183 Å²	183	113 Å²	113	80%	0.796	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.4	6.1	-173.7	-73.1	-169	179.8	176.2	0	118	N364 T368	N364-K366 PolarHBondContact O-N 2.96Å; K366-T368 VanDerWaalsContact C-N 3.28Å; K366-T368 PolarHBondContact O-N 2.92Å
367	N	51.3	Low	55.3	Low	136 Å²	136	110.4 Å²	110.4	73%	0.727	56%	0.563	S	S	*	*			trans	-83.3	75.3	176.7	-77.2	7.4	0	0	0	111.5	M369	N367-M369 PolarHBondContact O-N 3Å
368	T	57.3	Low	57	Low	87 Å²	87	100.8 Å²	100.8	53%	0.534	52%	0.521	S	S	.	.			trans	-54.8	128.7	159.3	49	0	0	0	0	107.8	K366 T370	K366-T368 VanDerWaalsContact C-N 3.28Å; K366-T368 PolarHBondContact O-N 2.92Å; T368-T370 PolarHBondContact O-N 2.92Å
369	M	66	Low	59.2	Low	16 Å²	16	98.8 Å²	98.8	8%	0.079	50%	0.504	C	S	.	.			trans	-60.6	127	177.5	-156.7	-72.9	-72.6	0	0	107	V345 A349 N367 K374	V345-M369 HydrophobicContact CG1-CE 4.25Å; V345-M369 WeakPolarHBondContact CG1-O 3.5Å; V345-M369 HydrophobicContact CG2-CE 3.81Å; A349-M369 HydrophobicContact CB-CB 4.29Å; A349-M369 HydrophobicContact CB-CE 4.2Å; N367-M369 PolarHBondContact O-N 3Å; M369-K374 HydrophobicContact CE-CB 3.71Å; M369-K374 HydrophobicContact CE-CD 3.42Å; M369-K374 VanDerWaalsContact CE-CD 3.42Å; M369-K374 HydrophobicContact CE-CG 3.37Å; M369-K374 HydrophobicContact SD-CB 3.38Å; M369-K374 WeakPolarHBondContact SD-CB 3.42Å; M369-K374 HydrophobicContact SD-CD 4.25Å; M369-K374 HydrophobicContact SD-CG 3.55Å; M369-K374 VanDerWaalsContact SD-CG 3.55Å
370	T	74.1	Confident	61.5	Low	59 Å²	59	99.5 Å²	99.5	36%	0.362	51%	0.508	S	S	.	.			trans	-106.4	158.6	178.4	66.1	0	0	0	0	110.6	T368 K372 I373 K374	T368-T370 PolarHBondContact O-N 2.92Å; T370-K372 PolarHBondContact O-N 2.82Å; T370-I373 HydrophobicContact CG2-CD1 4.31Å; T370-I373 PolarHBondContact O-N 3.27Å; T370-I373 WeakPolarHBondContact OG1-CD1 3.43Å; T370-I373 VanDerWaalsContact OG1-CG1 3.25Å; T370-I373 WeakPolarHBondContact OG1-CG1 3.34Å; T370-I373 PolarHBondContact OG1-N 3.13Å; T370-K374 PolarHBondContact O-N 3.36Å
371	K	73.4	Confident	63.8	Low	84 Å²	84	91.4 Å²	91.4	37%	0.365	47%	0.473	S	S	.	.	H	α-helix	trans	-53.7	-42.4	177.1	-174.1	176.4	-179	170.9	0	111.4	V345 I373 K374 L375 D392	V345-K371 HydrophobicContact CG2-CB 4.17Å; K371-I373 PolarHBondContact O-N 3.32Å; K371-K374 PolarHBondContact O-N 3.32Å; K371-L375 HydrophobicContact CG-CD1 3.97Å; K371-L375 HydrophobicContact CG-CG 4.44Å; K371-L375 WeakPolarHBondContact O-CB 3.41Å; K371-L375 WeakPolarHBondContact O-CG 3.35Å; K371-L375 PolarHBondContact O-N 3.04Å; K371-D392 VanDerWaalsContact CE-OD2 3.29Å; K371-D392 WeakPolarHBondContact CE-OD2 3.48Å; K371-D392 IonicContact NZ-OD2 2.85Å; K371-D392 PolarHBondContact NZ-OD2 3.22Å
372	K	74.8	Confident	66.3	Low	178 Å²	178	84.4 Å²	84.4	77%	0.774	44%	0.436	S	S	*	.	H	α-helix	trans	-61.3	-44.1	177	-169.5	176.8	-178.6	179.5	0	112.2	T370 L375 A376	T370-K372 PolarHBondContact O-N 2.82Å; K372-L375 PolarHBondContact O-N 3.23Å; K372-A376 WeakPolarHBondContact O-CB 3.49Å; K372-A376 PolarHBondContact O-N 3.16Å
373	I	77.2	Confident	68.6	Low	76 Å²	76	80.4 Å²	80.4	39%	0.39	42%	0.424	S	S	.	.	H	α-helix	trans	-66.5	-45.5	178	-67	167.3	0	0	0	110.6	T370 K371 L375 A376 V377	T370-I373 HydrophobicContact CG2-CD1 4.31Å; T370-I373 PolarHBondContact O-N 3.27Å; T370-I373 WeakPolarHBondContact OG1-CD1 3.43Å; T370-I373 VanDerWaalsContact OG1-CG1 3.25Å; T370-I373 WeakPolarHBondContact OG1-CG1 3.34Å; T370-I373 PolarHBondContact OG1-N 3.13Å; K371-I373 PolarHBondContact O-N 3.32Å; I373-L375 VanDerWaalsContact C-N 3.32Å; I373-L375 PolarHBondContact O-N 3.34Å; I373-A376 PolarHBondContact O-N 3.38Å; I373-V377 HydrophobicContact CG2-CG2 4.43Å; I373-V377 WeakPolarHBondContact O-CG2 3.36Å; I373-V377 PolarHBondContact O-N 2.84Å
374	K	75.7	Confident	70.8	Confident	23 Å²	23	75.5 Å²	75.5	10%	0.1	39%	0.391	C	S	.	.	H	α-helix	trans	-57.6	-48.3	176.9	-139.3	-168.4	-157.5	165.3	0	110.7	T341 L342 F344 M369 T370 K371 A376 V377 L378	T341-K374 PolarHBondContact O-NZ 2.9Å; L342-K374 WeakPolarHBondContact O-CD 3.22Å; L342-K374 VanDerWaalsContact O-CE 3.26Å; L342-K374 WeakPolarHBondContact O-CE 3.39Å; L342-K374 PolarHBondContact O-NZ 2.97Å; F344-K374 PolarHBondContact O-NZ 2.82Å; M369-K374 HydrophobicContact CE-CB 3.71Å; M369-K374 HydrophobicContact CE-CD 3.42Å; M369-K374 VanDerWaalsContact CE-CD 3.42Å; M369-K374 HydrophobicContact CE-CG 3.37Å; M369-K374 HydrophobicContact SD-CB 3.38Å; M369-K374 WeakPolarHBondContact SD-CB 3.42Å; M369-K374 HydrophobicContact SD-CD 4.25Å; M369-K374 HydrophobicContact SD-CG 3.55Å; M369-K374 VanDerWaalsContact SD-CG 3.55Å; T370-K374 PolarHBondContact O-N 3.36Å; K371-K374 PolarHBondContact O-N 3.32Å; K374-A376 VanDerWaalsContact C-N 3.33Å; K374-A376 PolarHBondContact O-N 2.97Å; K374-V377 PolarHBondContact O-N 3.44Å; K374-L378 HydrophobicContact CG-CD1 4.48Å; K374-L378 WeakPolarHBondContact O-CB 3.32Å; K374-L378 VanDerWaalsContact O-CD1 3.3Å; K374-L378 WeakPolarHBondContact O-CD1 3.36Å; K374-L378 WeakPolarHBondContact O-CG 3.4Å; K374-L378 PolarHBondContact O-N 3.25Å
375	L	77.4	Confident	73.3	Confident	29 Å²	29	72 Å²	72	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-61.9	-39.2	179	-70.7	174.3	0	0	0	112.3	L60 K371 K372 I373 L378 R379	L60-L375 HydrophobicContact CD2-CD2 3.2Å; K371-L375 HydrophobicContact CG-CD1 3.97Å; K371-L375 HydrophobicContact CG-CG 4.44Å; K371-L375 WeakPolarHBondContact O-CB 3.41Å; K371-L375 WeakPolarHBondContact O-CG 3.35Å; K371-L375 PolarHBondContact O-N 3.04Å; K372-L375 PolarHBondContact O-N 3.23Å; I373-L375 VanDerWaalsContact C-N 3.32Å; I373-L375 PolarHBondContact O-N 3.34Å; L375-L378 HydrophobicContact CD2-CD1 4.41Å; L375-L378 PolarHBondContact O-N 2.93Å; L375-R379 WeakPolarHBondContact O-CB 3.2Å; L375-R379 VanDerWaalsContact O-CG 3.26Å; L375-R379 WeakPolarHBondContact O-CG 3.44Å; L375-R379 PolarHBondContact O-N 2.8Å
376	A	79.3	Confident	75.1	Confident	53 Å²	53	73.7 Å²	73.7	44%	0.438	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-48.5	175.7	0	0	0	0	0	111.6	K372 I373 K374 L378 R379 E380	K372-A376 WeakPolarHBondContact O-CB 3.49Å; K372-A376 PolarHBondContact O-N 3.16Å; I373-A376 PolarHBondContact O-N 3.38Å; K374-A376 VanDerWaalsContact C-N 3.33Å; K374-A376 PolarHBondContact O-N 2.97Å; A376-L378 PolarHBondContact O-N 3.41Å; A376-R379 PolarHBondContact O-N 2.8Å; A376-E380 PolarHBondContact O-N 2.84Å
377	V	76.8	Confident	77	Confident	41 Å²	41	69.1 Å²	69.1	25%	0.248	36%	0.36	C	S	.	.	H	α-helix	trans	-60.8	-36.3	177.7	174.9	0	0	0	0	111.5	P352 I373 K374 M381	P352-V377 HydrophobicContact CB-CG1 3.72Å; P352-V377 HydrophobicContact CG-CB 4.37Å; P352-V377 HydrophobicContact CG-CG1 3.73Å; I373-V377 HydrophobicContact CG2-CG2 4.43Å; I373-V377 WeakPolarHBondContact O-CG2 3.36Å; I373-V377 PolarHBondContact O-N 2.84Å; K374-V377 PolarHBondContact O-N 3.44Å; V377-M381 HydrophobicContact CG1-CE 4.08Å; V377-M381 WeakPolarHBondContact O-CB 3.25Å; V377-M381 PolarHBondContact O-N 3.44Å
378	L	78.1	Confident	78.8	Confident	1 Å²	1	63 Å²	63	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-68.3	-45.9	176	-72	163.8	0	0	0	112.8	I270 L342 K374 L375 A376 E380 M381 F382	I270-L378 HydrophobicContact CD1-CD2 3.26Å; I270-L378 HydrophobicContact CD1-CG 4.5Å; L342-L378 HydrophobicContact CD1-CD1 3.98Å; L342-L378 HydrophobicContact CD1-CD2 4.03Å; L342-L378 HydrophobicContact CD2-CD1 3.31Å; L342-L378 HydrophobicContact CD2-CD2 3.97Å; L342-L378 HydrophobicContact CD2-CG 4.28Å; L342-L378 HydrophobicContact CG-CD1 3.57Å; L342-L378 HydrophobicContact CG-CD2 4.41Å; K374-L378 HydrophobicContact CG-CD1 4.48Å; K374-L378 WeakPolarHBondContact O-CB 3.32Å; K374-L378 VanDerWaalsContact O-CD1 3.3Å; K374-L378 WeakPolarHBondContact O-CD1 3.36Å; K374-L378 WeakPolarHBondContact O-CG 3.4Å; K374-L378 PolarHBondContact O-N 3.25Å; L375-L378 HydrophobicContact CD2-CD1 4.41Å; L375-L378 PolarHBondContact O-N 2.93Å; A376-L378 PolarHBondContact O-N 3.41Å; L378-E380 VanDerWaalsContact C-N 3.25Å; L378-E380 PolarHBondContact O-N 2.97Å; L378-M381 PolarHBondContact O-N 3.09Å; L378-F382 HydrophobicContact CB-CD2 4.46Å; L378-F382 HydrophobicContact CD2-CD2 3.95Å; L378-F382 HydrophobicContact CD2-CE2 3.54Å; L378-F382 WeakPolarHBondContact O-CB 3.27Å; L378-F382 WeakPolarHBondContact O-CD2 3.3Å; L378-F382 PolarHBondContact O-N 2.93Å
379	R	83.6	Confident	80.5	Confident	80 Å²	80	64.4 Å²	64.4	30%	0.302	33%	0.327	S	S	.	.	H	α-helix	trans	-58.7	-42.8	177.3	-75.7	173.9	178.6	-124.9	-3.2	110.7	L375 A376 G383 L384 K386	L375-R379 WeakPolarHBondContact O-CB 3.2Å; L375-R379 VanDerWaalsContact O-CG 3.26Å; L375-R379 WeakPolarHBondContact O-CG 3.44Å; L375-R379 PolarHBondContact O-N 2.8Å; A376-R379 PolarHBondContact O-N 2.8Å; R379-G383 CarbonylContact O-C 3.57Å; R379-G383 WeakPolarHBondContact O-CA 3.11Å; R379-G383 PolarHBondContact O-N 3.4Å; R379-L384 HydrophobicContact CB-CB 4.3Å; R379-L384 HydrophobicContact CG-CB 4.11Å; R379-L384 HydrophobicContact CG-CD1 4.08Å; R379-L384 PolarHBondContact O-N 3.49Å; R379-K386 PolarHBondContact NH1-O 3.14Å
380	E	82.3	Confident	81.7	Confident	160 Å²	160	66.1 Å²	66.1	75%	0.748	34%	0.338	S	S	*	.	H	α-helix	trans	-66.6	-50.4	176.1	-172.1	-176	170.4	0	0	112	A376 L378 F382 G383	A376-E380 PolarHBondContact O-N 2.84Å; L378-E380 VanDerWaalsContact C-N 3.25Å; L378-E380 PolarHBondContact O-N 2.97Å; E380-F382 PolarHBondContact O-N 2.92Å; E380-G383 PolarHBondContact O-N 3.42Å
381	M	80.5	Confident	82.5	Confident	17 Å²	17	64 Å²	64	8%	0.084	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-42.8	-176	-177.1	-173.3	-47	0	0	113.2	I270 F275 L278 P352 V377 L378	I270-M381 HydrophobicContact CG1-CE 4.22Å; I270-M381 HydrophobicContact CG1-SD 4.05Å; I270-M381 HydrophobicContact CG2-CE 4.5Å; F275-M381 HydrophobicContact CD2-CE 4.27Å; F275-M381 HydrophobicContact CD2-SD 4.45Å; F275-M381 HydrophobicContact CE2-CE 3.42Å; F275-M381 VanDerWaalsContact CE2-CE 3.42Å; F275-M381 HydrophobicContact CE2-SD 4.05Å; F275-M381 HydrophobicContact CZ-CE 4.22Å; L278-M381 HydrophobicContact CD2-SD 4.28Å; P352-M381 HydrophobicContact CB-CE 3.97Å; V377-M381 HydrophobicContact CG1-CE 4.08Å; V377-M381 WeakPolarHBondContact O-CB 3.25Å; V377-M381 PolarHBondContact O-N 3.44Å; L378-M381 PolarHBondContact O-N 3.09Å
382	F	86.5	Confident	83.1	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-95.9	1	-176.9	-64.1	-63.5	0	0	0	113.4	V263 I270 L278 F282 I337 L378 E380 L384	V263-F382 HydrophobicContact CG1-CE1 3.76Å; V263-F382 HydrophobicContact CG1-CZ 3.75Å; V263-F382 HydrophobicContact CG2-CD1 4.21Å; V263-F382 HydrophobicContact CG2-CE1 4.09Å; I270-F382 HydrophobicContact CD1-CE2 4.26Å; I270-F382 HydrophobicContact CG1-CZ 4.49Å; L278-F382 HydrophobicContact CD1-CE1 4.23Å; L278-F382 HydrophobicContact CD2-CE1 3.57Å; L278-F382 HydrophobicContact CD2-CZ 3.72Å; L278-F382 HydrophobicContact CG-CE1 4.03Å; F282-F382 HydrophobicContact CD1-CD1 4.34Å; F282-F382 AromaticContact CD2-CD1 3.92Å; F282-F382 HydrophobicContact CD2-CD1 3.92Å; F282-F382 HydrophobicContact CD2-CE1 4.24Å; F282-F382 HydrophobicContact CE1-CB 4.3Å; F282-F382 AromaticContact CE1-CD1 3.92Å; F282-F382 HydrophobicContact CE1-CD1 3.92Å; F282-F382 AromaticContact CE2-CD1 3.47Å; F282-F382 HydrophobicContact CE2-CD1 3.47Å; F282-F382 VanDerWaalsContact CE2-CD1 3.47Å; F282-F382 AromaticContact CE2-CE1 3.72Å; F282-F382 HydrophobicContact CE2-CE1 3.72Å; F282-F382 HydrophobicContact CG-CD1 4.34Å; F282-F382 AromaticContact CZ-CD1 3.48Å; F282-F382 HydrophobicContact CZ-CD1 3.48Å; F282-F382 VanDerWaalsContact CZ-CD1 3.48Å; F282-F382 HydrophobicContact CZ-CE1 4.1Å; I337-F382 HydrophobicContact CD1-CB 3.52Å; I337-F382 HydrophobicContact CD1-CD1 4.27Å; I337-F382 HydrophobicContact CD1-CD2 3.29Å; I337-F382 HydrophobicContact CD1-CE2 3.99Å; I337-F382 HydrophobicContact CD1-CG 3.43Å; I337-F382 VanDerWaalsContact CD1-CG 3.43Å; L378-F382 HydrophobicContact CB-CD2 4.46Å; L378-F382 HydrophobicContact CD2-CD2 3.95Å; L378-F382 HydrophobicContact CD2-CE2 3.54Å; L378-F382 WeakPolarHBondContact O-CB 3.27Å; L378-F382 WeakPolarHBondContact O-CD2 3.3Å; L378-F382 PolarHBondContact O-N 2.93Å; E380-F382 PolarHBondContact O-N 2.92Å; F382-L384 VanDerWaalsContact C-N 3.31Å; F382-L384 HydrophobicContact CB-CG 4.31Å; F382-L384 PolarHBondContact O-N 3.38Å
383	G	84.5	Confident	83.6	Confident	36 Å²	36	56.3 Å²	56.3	37%	0.371	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	34.7	-179.2	0	0	0	0	0	113.9	R379 E380	R379-G383 CarbonylContact O-C 3.57Å; R379-G383 WeakPolarHBondContact O-CA 3.11Å; R379-G383 PolarHBondContact O-N 3.4Å; E380-G383 PolarHBondContact O-N 3.42Å
384	L	85.1	Confident	83.4	Confident	17 Å²	17	52.9 Å²	52.9	9%	0.089	28%	0.278	C	S	.	.			trans	-65.9	139.1	-180	-64.9	179.7	0	0	0	111.2	D58 T335 I337 R379 F382 A388	D58-L384 HydrophobicContact CB-CD2 4.19Å; T335-L384 HydrophobicContact CG2-CD2 3.65Å; I337-L384 HydrophobicContact CD1-CD1 3.91Å; I337-L384 HydrophobicContact CD1-CD2 3.82Å; I337-L384 HydrophobicContact CD1-CG 4.05Å; I337-L384 HydrophobicContact CG1-CD2 4.19Å; R379-L384 HydrophobicContact CB-CB 4.3Å; R379-L384 HydrophobicContact CG-CB 4.11Å; R379-L384 HydrophobicContact CG-CD1 4.08Å; R379-L384 PolarHBondContact O-N 3.49Å; F382-L384 VanDerWaalsContact C-N 3.31Å; F382-L384 HydrophobicContact CB-CG 4.31Å; F382-L384 PolarHBondContact O-N 3.38Å; L384-A388 HydrophobicContact CB-CB 4.22Å
385	K	86.3	Confident	82.8	Confident	72 Å²	72	53.4 Å²	53.4	31%	0.313	28%	0.284	S	S	.	.			trans	-62.4	151.8	172.4	-66.3	166.8	-166.6	147.7	0	110.8	D58 R333 S387 A388	D58-K385 IonicContact OD1-NZ 3.42Å; D58-K385 WeakPolarHBondContact OD2-CB 3.35Å; D58-K385 WeakPolarHBondContact OD2-CD 3.26Å; D58-K385 VanDerWaalsContact OD2-CG 3.26Å; D58-K385 WeakPolarHBondContact OD2-CG 3.44Å; D58-K385 PolarHBondContact OD2-N 2.85Å; R333-K385 PolarHBondContact O-NZ 3.24Å; K385-S387 PolarHBondContact O-N 3.01Å; K385-A388 WeakPolarHBondContact O-CB 3.48Å; K385-A388 PolarHBondContact O-N 3.46Å
386	K	81.9	Confident	81.5	Confident	200 Å²	200	57 Å²	57	87%	0.87	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.2	175.8	-69.7	-177.7	179.7	176.9	0	112.2	R379 A388	R379-K386 PolarHBondContact NH1-O 3.14Å; K386-A388 PolarHBondContact O-N 3.03Å
387	S	84.9	Confident	79.9	Confident	87 Å²	87	59.8 Å²	59.8	61%	0.608	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	2.6	176.3	55.2	0	0	0	0	114.9	K385 K389	K385-S387 PolarHBondContact O-N 3.01Å; S387-K389 PolarHBondContact O-N 3.42Å
388	A	89.8	Confident	77.6	Confident	7 Å²	7	61.2 Å²	61.2	6%	0.058	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-55.6	128.7	178.7	0	0	0	0	0	111.6	D58 L384 K385 K386 V390	D58-A388 HydrophobicContact CB-CB 3.7Å; D58-A388 CarbonylContact O-C 3.54Å; D58-A388 WeakPolarHBondContact O-CA 3.46Å; L384-A388 HydrophobicContact CB-CB 4.22Å; K385-A388 WeakPolarHBondContact O-CB 3.48Å; K385-A388 PolarHBondContact O-N 3.46Å; K386-A388 PolarHBondContact O-N 3.03Å; A388-V390 PolarHBondContact O-N 3.01Å
389	K	92.4	Very high	75.4	Confident	117 Å²	117	67.6 Å²	67.6	51%	0.509	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.3	179.5	-172.8	67.5	176.3	-176.6	0	109.3	P51 D58 V59 L60 S387 I391	P51-K389 HydrophobicContact CB-CB 4.38Å; P51-K389 HydrophobicContact CB-CG 4.28Å; P51-K389 HydrophobicContact CG-CG 4.29Å; D58-K389 PolarHBondContact O-N 2.78Å; V59-K389 WeakPolarHBondContact CA-O 3.44Å; L60-K389 PolarHBondContact N-O 2.54Å; S387-K389 PolarHBondContact O-N 3.42Å; K389-I391 HydrophobicContact CG-CD1 4.38Å; K389-I391 HydrophobicContact CG-CG1 4.11Å
390	V	90.4	Very high	72.8	Confident	51 Å²	51	69.5 Å²	69.5	31%	0.309	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.7	174.9	-176	0	0	0	0	108.7	L60 A388	L60-V390 HydrophobicContact CB-CG2 4.46Å; L60-V390 HydrophobicContact CD2-CG1 4.31Å; L60-V390 HydrophobicContact CD2-CG2 4.39Å; L60-V390 WeakPolarHBondContact O-CA 3.37Å; A388-V390 PolarHBondContact O-N 3.01Å
391	I	91.4	Very high	70.4	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.072	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121	178.6	-59.7	166.5	0	0	0	106.7	I44 A47 A48 P51 V59 L60 G61 S62 K389 L393	I44-I391 HydrophobicContact CD1-CG2 3.89Å; A47-I391 HydrophobicContact CB-CD1 4.17Å; A47-I391 HydrophobicContact CB-CG2 3.73Å; A47-I391 VanDerWaalsContact O-CD1 3.22Å; A47-I391 WeakPolarHBondContact O-CD1 3.43Å; A48-I391 VanDerWaalsContact CA-CD1 3.43Å; A48-I391 HydrophobicContact CB-CD1 3.74Å; P51-I391 HydrophobicContact CG-CD1 4.41Å; V59-I391 HydrophobicContact CG1-CD1 3.88Å; L60-I391 PolarHBondContact O-N 2.73Å; G61-I391 CarbonylContact C-O 3.52Å; G61-I391 WeakPolarHBondContact CA-O 3.42Å; S62-I391 PolarHBondContact N-O 3.13Å; K389-I391 HydrophobicContact CG-CD1 4.38Å; K389-I391 HydrophobicContact CG-CG1 4.11Å; I391-L393 HydrophobicContact CG2-CG 4.27Å
392	D	87.3	Confident	67.9	Low	37 Å²	37	74.5 Å²	74.5	20%	0.198	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	106.7	-178.8	-170.4	2	0	0	0	110.8	T343 K371 S394 S395	T343-D392 WeakPolarHBondContact CB-OD2 3.22Å; T343-D392 HydrophobicContact CG2-CB 4.36Å; T343-D392 WeakPolarHBondContact CG2-OD2 3.27Å; T343-D392 PolarHBondContact OG1-OD1 3.07Å; T343-D392 PolarHBondContact OG1-OD2 3Å; K371-D392 VanDerWaalsContact CE-OD2 3.29Å; K371-D392 WeakPolarHBondContact CE-OD2 3.48Å; K371-D392 IonicContact NZ-OD2 2.85Å; K371-D392 PolarHBondContact NZ-OD2 3.22Å; D392-S394 PolarHBondContact OD1-N 3.44Å; D392-S394 PolarHBondContact OD1-OG 3.45Å; D392-S395 PolarHBondContact OD2-OG 2.8Å
393	L	84.3	Confident	65.2	Low	64 Å²	64	80.2 Å²	80.2	34%	0.335	44%	0.441	S	S	.	.			trans	-110.6	8.2	176.3	-57.1	177.6	0	0	0	111.5	P43 I44 S62 A63 I391	P43-L393 HydrophobicContact CB-CD1 3.94Å; I44-L393 HydrophobicContact CB-CD1 3.84Å; I44-L393 HydrophobicContact CD1-CD1 4.01Å; S62-L393 PolarHBondContact O-N 3.05Å; A63-L393 HydrophobicContact CB-CB 4.24Å; I391-L393 HydrophobicContact CG2-CG 4.27Å
394	S	72.3	Confident	62.6	Low	4 Å²	4	83.9 Å²	83.9	3%	0.028	46%	0.462	C	S	.	.	S	Bend	trans	-90.8	-18.4	-176.1	67.3	0	0	0	0	113.6	S62 T343 D392 T413	S62-S394 WeakPolarHBondContact OG-CB 3.47Å; S62-S394 PolarHBondContact OG-OG 2.84Å; T343-S394 PolarHBondContact OG1-OG 3.37Å; D392-S394 PolarHBondContact OD1-N 3.44Å; D392-S394 PolarHBondContact OD1-OG 3.45Å; S394-T413 PolarHBondContact O-OG1 2.83Å
395	S	64.7	Low	59.8	Low	34 Å²	34	89.2 Å²	89.2	24%	0.238	49%	0.49	C	S	.	.			trans	-125.9	106	177.9	62.7	0	0	0	0	109.1	D392 H397	D392-S395 PolarHBondContact OD2-OG 2.8Å; S395-H397 PolarHBondContact O-N 2.94Å
396	N	48.5	Very low	57.5	Low	106 Å²	106	92.7 Å²	92.7	57%	0.567	52%	0.52	S	S	*	.			trans	-75.8	59.8	162.6	-72.9	-13.1	0	0	0	109.2	S398	N396-S398 PolarHBondContact O-N 3.48Å
397	H	45.7	Very low	54.9	Low	110 Å²	110	86.3 Å²	86.3	51%	0.509	51%	0.511	S	S	.	.			trans	-80.9	96.2	152.8	-78.1	-63.2	0	0	0	105.1	S395 T399	S395-H397 PolarHBondContact O-N 2.94Å; H397-T399 PolarHBondContact O-N 3.32Å
398	S	29.7	Very low	52.3	Low	72 Å²	72	88.5 Å²	88.5	50%	0.503	52%	0.515	S	S	.	.			trans	-52.7	114.7	155.3	46.7	0	0	0	0	106.5	N396 D400	N396-S398 PolarHBondContact O-N 3.48Å; S398-D400 PolarHBondContact O-N 3.15Å
399	T	32.1	Very low	49.7	Very low	134 Å²	134	95 Å²	95	82%	0.822	55%	0.548	S	S	*	.			trans	-71.4	19.9	174.5	41	0	0	0	0	112.7	H397 Q401	H397-T399 PolarHBondContact O-N 3.32Å; T399-Q401 VanDerWaalsContact C-N 3.31Å; T399-Q401 PolarHBondContact O-N 3.27Å; T399-Q401 VanDerWaalsContact O-N 3.17Å
400	D	27.6	Very low	47.1	Very low	121 Å²	121	92.8 Å²	92.8	65%	0.647	55%	0.546	S	S	*	.			trans	-84.8	84	164.6	-71.5	-14.5	0	0	0	107.7	S398 S402	S398-D400 PolarHBondContact O-N 3.15Å; D400-S402 PolarHBondContact O-N 3.26Å; D400-S402 VanDerWaalsContact O-N 3.16Å
401	Q	32.2	Very low	45.2	Very low	204 Å²	204	95.5 Å²	95.5	95%	0.953	55%	0.553	S	S	*	*			trans	-70	16.3	157.2	-76	-170.6	0.4	0	0	111.9	T399	T399-Q401 VanDerWaalsContact C-N 3.31Å; T399-Q401 PolarHBondContact O-N 3.27Å; T399-Q401 VanDerWaalsContact O-N 3.17Å
402	S	28.8	Very low	43.4	Very low	78 Å²	78	96.9 Å²	96.9	55%	0.545	56%	0.564	S	S	.	*	S	Bend	trans	-106.6	120.7	168.5	57.8	0	0	0	0	109.5	D400	D400-S402 PolarHBondContact O-N 3.26Å; D400-S402 VanDerWaalsContact O-N 3.16Å
403	V	29.1	Very low	42.2	Very low	119 Å²	119	95.6 Å²	95.6	72%	0.721	56%	0.558	S	S	*	*	S	Bend	trans	86.9	97.7	172.5	-160.1	0	0	0	0	115.2	N405	V403-N405 PolarHBondContact O-N 2.93Å
404	S	29.7	Very low	41.4	Very low	114 Å²	114	93.2 Å²	93.2	80%	0.797	55%	0.546	S	S	*	.			trans	-46.7	95.5	161.9	49.8	0	0	0	0	112.9
405	N	27.8	Very low	41.1	Very low	129 Å²	129	94.1 Å²	94.1	69%	0.69	55%	0.552	S	S	*	*			trans	-117.8	103.2	157.9	-87.4	-16.2	0	0	0	108.3	V403 G407	V403-N405 PolarHBondContact O-N 2.93Å; N405-G407 PolarHBondContact O-N 3.22Å
406	P	36.7	Very low	41.4	Very low	144 Å²	144	98.6 Å²	98.6	94%	0.935	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	10.5	-176.2	30.8	-32.8	0	0	0	113.9
407	G	27.3	Very low	43	Very low	66 Å²	66	95.8 Å²	95.8	68%	0.68	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-0.6	179.6	0	0	0	0	0	115.6	N405 I409	N405-G407 PolarHBondContact O-N 3.22Å; G407-I409 PolarHBondContact O-N 3.22Å; G407-I409 VanDerWaalsContact O-N 3.08Å
408	L	31.7	Very low	44.9	Very low	134 Å²	134	91.5 Å²	91.5	70%	0.702	54%	0.541	S	S	*	.			trans	-79.7	99.2	-177.1	-156.5	69.7	0	0	0	110.3	C410	L408-C410 PolarHBondContact O-N 2.93Å
409	I	33.4	Very low	47.8	Very low	144 Å²	144	91.2 Å²	91.2	74%	0.738	54%	0.539	S	S	*	.			trans	-49.3	110.3	175.6	-61	165.9	0	0	0	108.7	G407 K411	G407-I409 PolarHBondContact O-N 3.22Å; G407-I409 VanDerWaalsContact O-N 3.08Å; I409-K411 VanDerWaalsContact C-N 3.29Å; I409-K411 HydrophobicContact CG2-CG 4.34Å; I409-K411 PolarHBondContact O-N 3.44Å
410	C	39.4	Very low	50.6	Low	69 Å²	69	86.4 Å²	86.4	47%	0.466	51%	0.507	S	S	.	.			trans	-66.2	89.3	174.3	-163.5	0	0	0	0	108.2	L408 S412	L408-C410 PolarHBondContact O-N 2.93Å; C410-S412 PolarHBondContact O-N 3.41Å
411	K	49.1	Very low	53.6	Low	108 Å²	108	81.1 Å²	81.1	47%	0.47	48%	0.48	S	S	.	.			trans	-66.8	119.5	-179.4	-75	-173.5	166.3	-155.9	0	109.6	I409 D416	I409-K411 VanDerWaalsContact C-N 3.29Å; I409-K411 HydrophobicContact CG2-CG 4.34Å; I409-K411 PolarHBondContact O-N 3.44Å; K411-D416 WeakPolarHBondContact CD-OD1 3.47Å; K411-D416 IonicContact NZ-OD1 2.93Å; K411-D416 PolarHBondContact NZ-OD1 3.19Å
412	S	53.3	Low	56.5	Low	44 Å²	44	73 Å²	73	31%	0.308	44%	0.44	S	S	.	.			trans	-60.6	159.5	-176.8	-167.5	0	0	0	0	112.9	C410 C414	C410-S412 PolarHBondContact O-N 3.41Å; S412-C414 PolarHBondContact O-N 3.42Å; S412-C414 VanDerWaalsContact O-O 3.13Å
413	T	63.9	Low	59.4	Low	10 Å²	10	69.3 Å²	69.3	6%	0.061	41%	0.414	C	S	.	.	S	Bend	trans	-63.1	-2.6	172	-49.5	0	0	0	0	113.9	P64 S394 I559	P64-T413 WeakPolarHBondContact CB-O 3.31Å; S394-T413 PolarHBondContact O-OG1 2.83Å; T413-I559 HydrophobicContact CG2-CD1 4.06Å; T413-I559 HydrophobicContact CG2-CG2 4.04Å
414	C	67	Low	62.4	Low	13 Å²	13	67.6 Å²	67.6	9%	0.088	40%	0.401	C	S	.	.	S	Bend	trans	-77.1	157.7	170.9	-70.1	0	0	0	0	112	S412 L418	S412-C414 PolarHBondContact O-N 3.42Å; S412-C414 VanDerWaalsContact O-O 3.13Å; C414-L418 HydrophobicContact CB-CD2 3.59Å
415	P	65.2	Low	65.4	Low	24 Å²	24	62.3 Å²	62.3	16%	0.156	36%	0.364	C	S	.	.			trans	-58.8	145.4	173.4	-21.2	32.6	0	0	0	112.9	T417 L418 A566	P415-T417 VanDerWaalsContact C-N 3.26Å; P415-T417 PolarHBondContact O-N 3.32Å; P415-L418 HydrophobicContact CB-CB 4.45Å; P415-L418 WeakPolarHBondContact O-CB 3.31Å; P415-L418 PolarHBondContact O-N 3.46Å; P415-L418 VanDerWaalsContact O-N 3.13Å; P415-A566 HydrophobicContact CB-CB 4.14Å; P415-A566 WeakPolarHBondContact CB-O 3.33Å; P415-A566 HydrophobicContact CG-CB 4.38Å
416	D	71.6	Confident	68.4	Low	127 Å²	127	60.5 Å²	60.5	68%	0.679	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-30.4	179.9	-75.5	-68.1	0	0	0	113.7	K411 L418	K411-D416 WeakPolarHBondContact CD-OD1 3.47Å; K411-D416 IonicContact NZ-OD1 2.93Å; K411-D416 PolarHBondContact NZ-OD1 3.19Å; D416-L418 VanDerWaalsContact C-N 3.27Å; D416-L418 PolarHBondContact O-N 3.2Å
417	T	81.5	Confident	71.1	Confident	47 Å²	47	56 Å²	56	29%	0.288	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	7.7	-179.4	56.6	0	0	0	0	113.5	P415 R570 G572	P415-T417 VanDerWaalsContact C-N 3.26Å; P415-T417 PolarHBondContact O-N 3.32Å; T417-R570 VanDerWaalsContact CB-O 3.31Å; T417-R570 WeakPolarHBondContact CB-O 3.21Å; T417-R570 PolarHBondContact OG1-O 3.42Å; T417-G572 PolarHBondContact O-N 2.91Å
418	L	86.4	Confident	74.1	Confident	20 Å²	20	56.7 Å²	56.7	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	116.9	177	-176.5	75.8	0	0	0	110.5	C414 P415 D416 E420 T565 A566 G572	C414-L418 HydrophobicContact CB-CD2 3.59Å; P415-L418 HydrophobicContact CB-CB 4.45Å; P415-L418 WeakPolarHBondContact O-CB 3.31Å; P415-L418 PolarHBondContact O-N 3.46Å; P415-L418 VanDerWaalsContact O-N 3.13Å; D416-L418 VanDerWaalsContact C-N 3.27Å; D416-L418 PolarHBondContact O-N 3.2Å; L418-E420 HydrophobicContact CD2-CG 3.61Å; L418-E420 HydrophobicContact CG-CG 3.92Å; L418-T565 HydrophobicContact CD1-CG2 3.43Å; L418-T565 VanDerWaalsContact CD1-CG2 3.43Å; L418-A566 HydrophobicContact CB-CB 3.85Å; L418-A566 HydrophobicContact CD1-CB 3.92Å; L418-G572 WeakPolarHBondContact CA-O 3.38Å
419	S	89.2	Confident	76.9	Confident	67 Å²	67	57 Å²	57	47%	0.469	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.8	164.6	176	0	0	0	0	109.7	G572 T573 S574	S419-G572 PolarHBondContact N-O 3.01Å; S419-T573 CarbonylContact O-C 3.55Å; S419-T573 VanDerWaalsContact O-CA 3.31Å; S419-T573 WeakPolarHBondContact O-CA 3.33Å; S419-S574 PolarHBondContact O-N 3.26Å
420	E	91.2	Very high	79.8	Confident	33 Å²	33	50.7 Å²	50.7	15%	0.154	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129	179.8	-59.3	180	117.2	0	0	110.1	L418 Y558 S574 R595 L600	L418-E420 HydrophobicContact CD2-CG 3.61Å; L418-E420 HydrophobicContact CG-CG 3.92Å; E420-Y558 VanDerWaalsContact CD-OH 3.22Å; E420-Y558 WeakPolarHBondContact OE1-CE1 3.47Å; E420-Y558 VanDerWaalsContact OE1-CZ 3.23Å; E420-Y558 PolarHBondContact OE1-OH 3.18Å; E420-S574 WeakPolarHBondContact CA-O 3.37Å; E420-R595 IonicContact OE1-CZ 3.77Å; E420-R595 IonicContact OE1-NH2 2.81Å; E420-R595 PolarHBondContact OE1-NH2 3.31Å; E420-R595 IonicContact OE2-CZ 2.62Å; E420-R595 VanDerWaalsContact OE2-CZ 3.22Å; E420-R595 IonicContact OE2-NH1 3.99Å; E420-R595 PolarHBondContact OE2-NH1 2.95Å; E420-R595 IonicContact OE2-NH2 2.65Å; E420-R595 PolarHBondContact OE2-NH2 3.31Å; E420-L600 HydrophobicContact CB-CD2 3.82Å
421	C	91.1	Very high	82.5	Confident	10 Å²	10	47.4 Å²	47.4	7%	0.068	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.4	178.9	54.2	0	0	0	0	111.4	S574 L575 L576 D601	C421-S574 PolarHBondContact N-O 3.49Å; C421-L575 WeakPolarHBondContact O-CA 3.35Å; C421-L575 VanDerWaalsContact SG-CD1 3.55Å; C421-L576 PolarHBondContact O-N 3.05Å; C421-D601 CarbonylContact C-O 3.51Å; C421-D601 WeakPolarHBondContact CA-O 3.46Å; C421-D601 WeakPolarHBondContact CB-O 3.29Å
422	R	92.2	Very high	84.8	Confident	34 Å²	34	43 Å²	43	13%	0.128	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155.2	177.6	68.7	177.5	-172.8	-163.3	-8.4	112.2	L576 E599 L600 D601 D602 F603	R422-L576 CarbonylContact C-O 3.58Å; R422-L576 WeakPolarHBondContact CA-O 3.5Å; R422-E599 IonicContact CZ-OE2 3.96Å; R422-E599 VanDerWaalsContact CZ-OE2 3.29Å; R422-E599 IonicContact NH1-OE2 3.83Å; R422-E599 PolarHBondContact NH1-OE2 2.98Å; R422-E599 IonicContact NH2-OE2 2.9Å; R422-E599 PolarHBondContact NH2-OE2 3.32Å; R422-L600 HydrophobicContact CB-CB 3.86Å; R422-L600 HydrophobicContact CB-CD1 4.18Å; R422-L600 WeakPolarHBondContact CD-O 3.46Å; R422-L600 HydrophobicContact CG-CB 3.94Å; R422-L600 PolarHBondContact NE-O 3.29Å; R422-D601 PolarHBondContact N-O 2.75Å; R422-D602 WeakPolarHBondContact CG-OD1 3.36Å; R422-D602 IonicContact CZ-OD1 2.82Å; R422-D602 IonicContact NE-OD1 3.29Å; R422-D602 PolarHBondContact NE-OD1 3.48Å; R422-D602 IonicContact NH2-OD1 2.87Å; R422-D602 PolarHBondContact NH2-OD1 2.85Å; R422-D602 IonicContact NH2-OD2 3.39Å; R422-F603 WeakPolarHBondContact O-CB 3.42Å; R422-F603 PolarHBondContact O-N 2.83Å
423	L	91.2	Very high	86.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	108.5	169.8	-169.3	145.3	0	0	0	108.9	C425 R434 W437 L575 L576 F577 I578 F603	L423-C425 PolarHBondContact O-N 3.37Å; L423-C425 PolarHBondContact O-SG 3.28Å; L423-C425 VanDerWaalsContact O-SG 3.4Å; L423-R434 HydrophobicContact CD2-CB 3.72Å; L423-R434 VanDerWaalsContact CD2-CD 3.49Å; L423-R434 HydrophobicContact CD2-CG 3.87Å; L423-W437 HydrophobicContact CD1-CZ3 3.95Å; L423-L575 HydrophobicContact CB-CD1 3.98Å; L423-L575 HydrophobicContact CB-CG 4.47Å; L423-L576 PolarHBondContact N-O 3.37Å; L423-F577 HydrophobicContact CB-CD1 4.18Å; L423-F577 HydrophobicContact CB-CE1 4.25Å; L423-F577 HydrophobicContact CD1-CE1 4.46Å; L423-F577 HydrophobicContact CD2-CE1 4.32Å; L423-F577 HydrophobicContact CD2-CE2 4.39Å; L423-F577 HydrophobicContact CD2-CZ 4.26Å; L423-I578 PolarHBondContact O-N 2.93Å; L423-I578 VanDerWaalsContact O-N 3.15Å; L423-F603 HydrophobicContact CD1-CD1 4.09Å
424	L	90.8	Very high	88.4	Confident	83 Å²	83	42.9 Å²	42.9	44%	0.435	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.6	-179.7	-59.5	-179.5	0	0	0	110.1	R434 I578	L424-R434 PolarHBondContact O-NE 3.07Å; L424-R434 VanDerWaalsContact O-NE 3.13Å; L424-R434 PolarHBondContact O-NH1 3.47Å; L424-R434 VanDerWaalsContact O-NH1 3.1Å; L424-R434 PolarHBondContact O-NH2 2.67Å; L424-I578 HydrophobicContact CD2-CG2 3.45Å; L424-I578 VanDerWaalsContact CD2-CG2 3.45Å
425	C	93.3	Very high	89.8	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.02	23%	0.232	C	C	.	.			trans	-118.6	115.5	-178.4	-62.1	0	0	0	0	109.1	L423 S427 K431 R434 I578 S579 P580	L423-C425 PolarHBondContact O-N 3.37Å; L423-C425 PolarHBondContact O-SG 3.28Å; L423-C425 VanDerWaalsContact O-SG 3.4Å; C425-S427 PolarHBondContact O-N 2.73Å; C425-S427 VanDerWaalsContact O-N 3.09Å; C425-K431 HydrophobicContact CB-CG 3.77Å; C425-R434 WeakPolarHBondContact SG-CD 3.37Å; C425-I578 WeakPolarHBondContact CB-O 3.34Å; C425-I578 PolarHBondContact N-O 3.12Å; C425-S579 VanDerWaalsContact O-CA 3.32Å; C425-S579 WeakPolarHBondContact O-CA 3.11Å; C425-P580 VanDerWaalsContact O-CD 3.25Å; C425-P580 WeakPolarHBondContact O-CD 3.35Å
426	P	91.3	Very high	91.3	Very high	90 Å²	90	41.2 Å²	41.2	58%	0.584	22%	0.224	S	C	*	.	S	Bend	trans	-54.1	-33.2	-176.8	-29.3	34.4	0	0	0	114.9	S430 P580	P426-S430 VanDerWaalsContact CD-OG 3.31Å; P426-S430 WeakPolarHBondContact CD-OG 3.46Å; P426-P580 WeakPolarHBondContact O-CD 3.5Å
427	S	92.8	Very high	92.4	Very high	51 Å²	51	35.2 Å²	35.2	36%	0.357	19%	0.192	S	C	.	.	S	Bend	trans	-146.5	167.8	178.6	72.2	0	0	0	0	111.3	C425 E429 S430 K431	C425-S427 PolarHBondContact O-N 2.73Å; C425-S427 VanDerWaalsContact O-N 3.09Å; S427-E429 VanDerWaalsContact C-N 3.25Å; S427-E429 PolarHBondContact O-N 2.84Å; S427-E429 PolarHBondContact OG-N 3.27Å; S427-S430 PolarHBondContact N-OG 3.23Å; S427-S430 WeakPolarHBondContact O-CB 3.4Å; S427-S430 PolarHBondContact O-N 2.75Å; S427-S430 PolarHBondContact O-OG 3.09Å; S427-S430 PolarHBondContact OG-N 3.18Å; S427-S430 VanDerWaalsContact OG-N 3.13Å; S427-K431 PolarHBondContact O-N 3.11Å
428	Q	90.8	Very high	93	Very high	80 Å²	80	33 Å²	33	37%	0.374	18%	0.178	S	C	.	.	H	α-helix	trans	-61.4	-36.1	173.9	-172.9	66	5.1	0	0	111.8	S430 K431 D550	Q428-S430 VanDerWaalsContact C-N 3.31Å; Q428-S430 PolarHBondContact O-N 2.94Å; Q428-K431 WeakPolarHBondContact O-CB 3.35Å; Q428-K431 PolarHBondContact O-N 3.21Å; Q428-D550 PolarHBondContact NE2-OD1 2.64Å
429	E	90.6	Very high	93.4	Very high	139 Å²	139	32 Å²	32	65%	0.65	17%	0.174	S	C	*	.	H	α-helix	trans	-67.3	-34.2	177.2	-62.4	-176.4	174.6	0	0	112.4	S427 K431 D432 K623	S427-E429 VanDerWaalsContact C-N 3.25Å; S427-E429 PolarHBondContact O-N 2.84Å; S427-E429 PolarHBondContact OG-N 3.27Å; E429-K431 PolarHBondContact O-N 3.33Å; E429-D432 PolarHBondContact O-N 3.33Å; E429-K623 PolarHBondContact O-NZ 3.2Å
430	S	94.1	Very high	93.5	Very high	13 Å²	13	28.9 Å²	28.9	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-66.3	-19.1	177.7	78.7	0	0	0	0	113.4	P426 S427 Q428 D432 I433 R434	P426-S430 VanDerWaalsContact CD-OG 3.31Å; P426-S430 WeakPolarHBondContact CD-OG 3.46Å; S427-S430 PolarHBondContact N-OG 3.23Å; S427-S430 WeakPolarHBondContact O-CB 3.4Å; S427-S430 PolarHBondContact O-N 2.75Å; S427-S430 PolarHBondContact O-OG 3.09Å; S427-S430 PolarHBondContact OG-N 3.18Å; S427-S430 VanDerWaalsContact OG-N 3.13Å; Q428-S430 VanDerWaalsContact C-N 3.31Å; Q428-S430 PolarHBondContact O-N 2.94Å; S430-D432 VanDerWaalsContact C-N 3.33Å; S430-D432 PolarHBondContact O-N 3.4Å; S430-I433 WeakPolarHBondContact O-CB 3.35Å; S430-I433 PolarHBondContact O-N 2.92Å; S430-R434 WeakPolarHBondContact O-CB 3.49Å; S430-R434 WeakPolarHBondContact O-CG 3.31Å; S430-R434 PolarHBondContact O-N 2.98Å
431	K	96.5	Very high	93.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.5	-40.6	175.7	-67.5	-169.5	172.8	-170.6	0	112.1	C425 S427 Q428 E429 I433 R434 L435 F549 F577 E582	C425-K431 HydrophobicContact CB-CG 3.77Å; S427-K431 PolarHBondContact O-N 3.11Å; Q428-K431 WeakPolarHBondContact O-CB 3.35Å; Q428-K431 PolarHBondContact O-N 3.21Å; E429-K431 PolarHBondContact O-N 3.33Å; K431-I433 VanDerWaalsContact C-N 3.28Å; K431-I433 PolarHBondContact O-N 3.48Å; K431-R434 PolarHBondContact O-N 2.84Å; K431-L435 VanDerWaalsContact O-CB 3.27Å; K431-L435 WeakPolarHBondContact O-CB 3.42Å; K431-L435 PolarHBondContact O-N 3.36Å; K431-F549 HydrophobicContact CB-CD2 4.41Å; K431-F549 HydrophobicContact CB-CE1 4.35Å; K431-F549 HydrophobicContact CB-CE2 3.56Å; K431-F549 HydrophobicContact CB-CZ 3.5Å; K431-F549 HydrophobicContact CD-CE1 4.14Å; K431-F549 HydrophobicContact CD-CE2 4.47Å; K431-F549 HydrophobicContact CD-CZ 4.1Å; K431-F549 WeakPolarHBondContact CD-O 3.31Å; K431-F549 HydrophobicContact CG-CZ 4.5Å; K431-F549 PolarHBondContact NZ-O 3.01Å; K431-F577 HydrophobicContact CB-CD2 4.34Å; K431-E582 WeakPolarHBondContact CE-OE2 3.4Å; K431-E582 IonicContact NZ-OE1 3.5Å; K431-E582 PolarHBondContact NZ-OE1 3.47Å; K431-E582 IonicContact NZ-OE2 2.75Å; K431-E582 PolarHBondContact NZ-OE2 3.32Å
432	D	97.2	Very high	93.3	Very high	15 Å²	15	27.4 Å²	27.4	8%	0.08	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-38.3	178.8	-59.8	-39.6	0	0	0	110.6	E429 S430 L435 F436 F549 V619 K623	E429-D432 PolarHBondContact O-N 3.33Å; S430-D432 VanDerWaalsContact C-N 3.33Å; S430-D432 PolarHBondContact O-N 3.4Å; D432-L435 PolarHBondContact O-N 2.88Å; D432-F436 PolarHBondContact O-N 2.8Å; D432-F549 WeakPolarHBondContact OD1-CZ 3.29Å; D432-V619 HydrophobicContact CB-CG1 3.9Å; D432-K623 WeakPolarHBondContact OD2-CE 3.38Å; D432-K623 IonicContact OD2-NZ 2.75Å; D432-K623 PolarHBondContact OD2-NZ 3.25Å
433	I	96.7	Very high	93.1	Very high	20 Å²	20	25.9 Å²	25.9	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-50.1	176.3	-57.4	172.2	0	0	0	110.3	S430 K431 L435 F436 W437 E616 V619	S430-I433 WeakPolarHBondContact O-CB 3.35Å; S430-I433 PolarHBondContact O-N 2.92Å; K431-I433 VanDerWaalsContact C-N 3.28Å; K431-I433 PolarHBondContact O-N 3.48Å; I433-L435 VanDerWaalsContact C-N 3.28Å; I433-L435 PolarHBondContact O-N 3.46Å; I433-F436 PolarHBondContact O-N 2.77Å; I433-W437 PolarHBondContact O-N 3.38Å; I433-E616 HydrophobicContact CD1-CB 3.83Å; I433-E616 HydrophobicContact CD1-CG 3.66Å; I433-E616 HydrophobicContact CG1-CB 4.45Å; I433-E616 HydrophobicContact CG2-CB 4.17Å; I433-V619 HydrophobicContact CG1-CB 4.3Å; I433-V619 HydrophobicContact CG1-CG1 4.22Å
434	R	95.4	Very high	92.8	Very high	32 Å²	32	26.7 Å²	26.7	12%	0.121	14%	0.141	C	C	.	.	H	α-helix	trans	-65.6	-32.4	179.1	-77	167.1	174.2	-80.7	4.7	112.2	L423 L424 C425 S430 K431 F438 F577	L423-R434 HydrophobicContact CD2-CB 3.72Å; L423-R434 VanDerWaalsContact CD2-CD 3.49Å; L423-R434 HydrophobicContact CD2-CG 3.87Å; L424-R434 PolarHBondContact O-NE 3.07Å; L424-R434 VanDerWaalsContact O-NE 3.13Å; L424-R434 PolarHBondContact O-NH1 3.47Å; L424-R434 VanDerWaalsContact O-NH1 3.1Å; L424-R434 PolarHBondContact O-NH2 2.67Å; C425-R434 WeakPolarHBondContact SG-CD 3.37Å; S430-R434 WeakPolarHBondContact O-CB 3.49Å; S430-R434 WeakPolarHBondContact O-CG 3.31Å; S430-R434 PolarHBondContact O-N 2.98Å; K431-R434 PolarHBondContact O-N 2.84Å; R434-F438 VanDerWaalsContact O-CB 3.27Å; R434-F438 WeakPolarHBondContact O-CB 3.23Å; R434-F438 PolarHBondContact O-N 3.41Å; R434-F577 HydrophobicContact CB-CE2 3.94Å
435	L	97.1	Very high	92.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-70.4	-45.5	176.2	-177.7	67	0	0	0	110.8	K431 D432 I433 W437 F438 I439 I457 L468 L472 I547 F549 F577	K431-L435 VanDerWaalsContact O-CB 3.27Å; K431-L435 WeakPolarHBondContact O-CB 3.42Å; K431-L435 PolarHBondContact O-N 3.36Å; D432-L435 PolarHBondContact O-N 2.88Å; I433-L435 VanDerWaalsContact C-N 3.28Å; I433-L435 PolarHBondContact O-N 3.46Å; L435-W437 VanDerWaalsContact C-N 3.32Å; L435-W437 PolarHBondContact O-N 2.96Å; L435-F438 PolarHBondContact O-N 3.02Å; L435-I439 HydrophobicContact CD1-CD1 4.09Å; L435-I439 HydrophobicContact CD1-CG1 4.28Å; L435-I439 HydrophobicContact CD2-CD1 4.41Å; L435-I439 HydrophobicContact CG-CD1 3.87Å; L435-I439 HydrophobicContact CG-CG1 4.42Å; L435-I439 WeakPolarHBondContact O-CG1 3.45Å; L435-I439 PolarHBondContact O-N 2.9Å; L435-I457 HydrophobicContact CD1-CD1 4.01Å; L435-I457 HydrophobicContact CD2-CD1 4.34Å; L435-L468 HydrophobicContact CD2-CD1 3.96Å; L435-L468 HydrophobicContact CD2-CD2 3.6Å; L435-L468 HydrophobicContact CD2-CG 4.19Å; L435-L472 HydrophobicContact CD2-CD1 4.42Å; L435-I547 HydrophobicContact CD1-CD1 3.72Å; L435-I547 HydrophobicContact CD1-CG2 4.48Å; L435-F549 HydrophobicContact CB-CD2 4.41Å; L435-F549 HydrophobicContact CB-CE2 4.29Å; L435-F549 HydrophobicContact CD2-CD2 3.92Å; L435-F549 HydrophobicContact CD2-CE2 4.1Å; L435-F577 HydrophobicContact CB-CE2 3.86Å; L435-F577 HydrophobicContact CB-CZ 4.39Å; L435-F577 HydrophobicContact CD1-CE2 4.31Å; L435-F577 HydrophobicContact CD1-CZ 4.2Å
436	F	96.4	Very high	90.9	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-57	-49.1	173.7	170.9	-102.6	0	0	0	110.7	D432 I433 F438 I439 A440 L475 A480 F481 V483 I618 V619	D432-F436 PolarHBondContact O-N 2.8Å; I433-F436 PolarHBondContact O-N 2.77Å; F436-F438 VanDerWaalsContact C-N 3.3Å; F436-F438 PolarHBondContact O-N 3.23Å; F436-I439 PolarHBondContact O-N 3.11Å; F436-A440 HydrophobicContact CE2-CB 4.48Å; F436-A440 HydrophobicContact CZ-CB 4.36Å; F436-A440 VanDerWaalsContact O-CB 3.26Å; F436-A440 WeakPolarHBondContact O-CB 3.04Å; F436-A440 PolarHBondContact O-N 3.17Å; F436-L475 HydrophobicContact CB-CD1 4.49Å; F436-L475 HydrophobicContact CD2-CD1 3.83Å; F436-L475 HydrophobicContact CD2-CD2 4.18Å; F436-L475 HydrophobicContact CD2-CG 4.47Å; F436-L475 HydrophobicContact CE2-CD2 4.19Å; F436-L475 HydrophobicContact CG-CD1 4.44Å; F436-A480 HydrophobicContact CE2-CB 3.91Å; F436-A480 HydrophobicContact CZ-CB 4.2Å; F436-F481 HydrophobicContact CD2-CD1 4.18Å; F436-F481 AromaticContact CD2-CE1 3.66Å; F436-F481 HydrophobicContact CD2-CE1 3.66Å; F436-F481 HydrophobicContact CD2-CZ 4.21Å; F436-F481 AromaticContact CE2-CD1 3.9Å; F436-F481 HydrophobicContact CE2-CD1 3.9Å; F436-F481 AromaticContact CE2-CE1 3.85Å; F436-F481 HydrophobicContact CE2-CE1 3.85Å; F436-F481 HydrophobicContact CE2-CZ 4.45Å; F436-V483 HydrophobicContact CE1-CG1 4.45Å; F436-V483 HydrophobicContact CZ-CG1 4.02Å; F436-I618 HydrophobicContact CE1-CD1 4.31Å; F436-I618 HydrophobicContact CE1-CG2 4.18Å; F436-I618 HydrophobicContact CE2-CG2 4.32Å; F436-I618 HydrophobicContact CZ-CD1 4.27Å; F436-I618 HydrophobicContact CZ-CG2 3.94Å; F436-V619 HydrophobicContact CB-CG2 3.55Å; F436-V619 HydrophobicContact CD1-CG2 4.13Å; F436-V619 HydrophobicContact CG-CG2 3.84Å
437	W	94.8	Very high	89.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.8	-44.8	175.6	169.8	82.5	0	0	0	111.9	L423 I433 L435 I439 A440 F441 G442 F603 I605 P607	L423-W437 HydrophobicContact CD1-CZ3 3.95Å; I433-W437 PolarHBondContact O-N 3.38Å; L435-W437 VanDerWaalsContact C-N 3.32Å; L435-W437 PolarHBondContact O-N 2.96Å; W437-I439 PolarHBondContact O-N 3Å; W437-A440 PolarHBondContact O-N 3.43Å; W437-F441 AromaticContact CD1-CD2 3.48Å; W437-F441 VanDerWaalsContact CD1-CD2 3.48Å; W437-F441 HydrophobicContact CG-CD2 4.19Å; W437-F441 AromaticContact NE1-CD2 3.95Å; W437-F441 WeakPolarHBondContact O-CA 3.32Å; W437-F441 WeakPolarHBondContact O-CB 3.41Å; W437-F441 WeakPolarHBondContact O-CD2 3.45Å; W437-F441 PolarHBondContact O-N 2.99Å; W437-G442 PolarHBondContact O-N 2.74Å; W437-F603 HydrophobicContact CH2-CD1 4.35Å; W437-F603 AromaticContact CH2-CE1 3.91Å; W437-F603 HydrophobicContact CH2-CE1 3.91Å; W437-F603 HydrophobicContact CZ3-CD1 4.42Å; W437-F603 HydrophobicContact CZ3-CE1 4.13Å; W437-I605 HydrophobicContact CH2-CG2 4.36Å; W437-I605 VanDerWaalsContact CH2-O 3.32Å; W437-I605 WeakPolarHBondContact CH2-O 3.24Å; W437-I605 HydrophobicContact CZ2-CG2 4.36Å; W437-P607 HydrophobicContact CD2-CB 3.73Å; W437-P607 HydrophobicContact CD2-CG 4.42Å; W437-P607 HydrophobicContact CE3-CB 4.43Å; W437-P607 HydrophobicContact CG-CB 3.97Å; W437-P607 HydrophobicContact CH2-CB 4.48Å; W437-P607 HydrophobicContact CZ2-CB 3.8Å
438	F	94.3	Very high	87.5	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.176	C	C	.	.	I	π-helix	trans	-63.8	-44.9	-179.3	-179.6	-92.3	0	0	0	111.7	R434 L435 F436 G442 R443 W545 I547 L575 F577 F603	R434-F438 VanDerWaalsContact O-CB 3.27Å; R434-F438 WeakPolarHBondContact O-CB 3.23Å; R434-F438 PolarHBondContact O-N 3.41Å; L435-F438 PolarHBondContact O-N 3.02Å; F436-F438 VanDerWaalsContact C-N 3.3Å; F436-F438 PolarHBondContact O-N 3.23Å; F438-G442 CarbonylContact O-C 3.57Å; F438-G442 WeakPolarHBondContact O-CA 3.5Å; F438-G442 PolarHBondContact O-N 2.94Å; F438-R443 HydrophobicContact CD1-CB 4.34Å; F438-R443 HydrophobicContact CE1-CB 3.74Å; F438-R443 HydrophobicContact CZ-CB 3.89Å; F438-R443 PolarHBondContact O-N 3.49Å; F438-W545 HydrophobicContact CE1-CD2 4.42Å; F438-W545 HydrophobicContact CE1-CE3 4.5Å; F438-W545 HydrophobicContact CE1-CG 4.48Å; F438-W545 HydrophobicContact CE2-CE3 4.27Å; F438-W545 HydrophobicContact CE2-CZ3 4.16Å; F438-W545 AromaticContact CZ-CD2 3.71Å; F438-W545 HydrophobicContact CZ-CD2 3.71Å; F438-W545 AromaticContact CZ-CE3 3.54Å; F438-W545 HydrophobicContact CZ-CE3 3.54Å; F438-W545 HydrophobicContact CZ-CG 4.22Å; F438-W545 HydrophobicContact CZ-CH2 4.37Å; F438-W545 AromaticContact CZ-CZ3 3.87Å; F438-W545 HydrophobicContact CZ-CZ3 3.87Å; F438-I547 HydrophobicContact CD1-CD1 3.41Å; F438-I547 VanDerWaalsContact CD1-CD1 3.41Å; F438-I547 HydrophobicContact CE1-CD1 3.47Å; F438-I547 VanDerWaalsContact CE1-CD1 3.47Å; F438-I547 HydrophobicContact CE1-CG1 4.23Å; F438-I547 HydrophobicContact CG-CD1 4.33Å; F438-I547 HydrophobicContact CZ-CD1 4.42Å; F438-L575 HydrophobicContact CD2-CD2 3.64Å; F438-L575 HydrophobicContact CE1-CD2 4.5Å; F438-L575 HydrophobicContact CE2-CD2 3.42Å; F438-L575 VanDerWaalsContact CE2-CD2 3.42Å; F438-L575 HydrophobicContact CG-CD2 4.28Å; F438-L575 HydrophobicContact CZ-CD2 3.89Å; F438-F577 HydrophobicContact CB-CZ 4.35Å; F438-F603 HydrophobicContact CD2-CE1 4.24Å; F438-F603 HydrophobicContact CD2-CZ 4.4Å; F438-F603 HydrophobicContact CE2-CE1 4.15Å; F438-F603 HydrophobicContact CE2-CE2 4.39Å; F438-F603 AromaticContact CE2-CZ 3.85Å; F438-F603 HydrophobicContact CE2-CZ 3.85Å
439	I	94	Very high	85.9	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	20%	0.195	C	C	.	.	I	π-helix	trans	-66.6	-41.1	178.2	-64.6	169.9	0	0	0	110.8	L435 F436 W437 R443 H444 I457 L472 F481 I518	L435-I439 HydrophobicContact CD1-CD1 4.09Å; L435-I439 HydrophobicContact CD1-CG1 4.28Å; L435-I439 HydrophobicContact CD2-CD1 4.41Å; L435-I439 HydrophobicContact CG-CD1 3.87Å; L435-I439 HydrophobicContact CG-CG1 4.42Å; L435-I439 WeakPolarHBondContact O-CG1 3.45Å; L435-I439 PolarHBondContact O-N 2.9Å; F436-I439 PolarHBondContact O-N 3.11Å; W437-I439 PolarHBondContact O-N 3Å; I439-R443 PolarHBondContact O-NE 2.89Å; I439-H444 PolarHBondContact O-CD2 2.84Å; I439-H444 PolarHBondContact O-NE2 2.9Å; I439-I457 HydrophobicContact CD1-CD1 4.08Å; I439-L472 HydrophobicContact CD1-CD2 4.01Å; I439-F481 HydrophobicContact CB-CD1 4.47Å; I439-F481 HydrophobicContact CB-CE1 3.83Å; I439-F481 HydrophobicContact CG2-CD1 3.81Å; I439-F481 HydrophobicContact CG2-CE1 3.36Å; I439-F481 HydrophobicContact CG2-CZ 4.01Å; I439-I518 HydrophobicContact CD1-CD1 4.45Å; I439-I518 HydrophobicContact CG1-CD1 4.29Å; I439-I518 HydrophobicContact CG2-CD1 4.33Å; I439-I518 HydrophobicContact CG2-CG1 4.43Å
440	A	92	Very high	84.6	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.008	19%	0.188	C	C	.	.	I	π-helix	trans	-74.2	-37.9	-178.4	0	0	0	0	0	112.6	F436 W437 H444 F481 S484 Y486	F436-A440 HydrophobicContact CE2-CB 4.48Å; F436-A440 HydrophobicContact CZ-CB 4.36Å; F436-A440 VanDerWaalsContact O-CB 3.26Å; F436-A440 WeakPolarHBondContact O-CB 3.04Å; F436-A440 PolarHBondContact O-N 3.17Å; W437-A440 PolarHBondContact O-N 3.43Å; A440-H444 PolarHBondContact O-CD2 2.9Å; A440-F481 HydrophobicContact CB-CD1 4.09Å; A440-S484 WeakPolarHBondContact O-CB 3.27Å; A440-S484 PolarHBondContact O-OG 3.11Å; A440-Y486 WeakPolarHBondContact O-CD2 3.44Å
441	F	89.8	Confident	83.6	Confident	11 Å²	11	36 Å²	36	5%	0.048	21%	0.208	C	C	.	.	I	π-helix	trans	-126.9	-59.2	-171	-54.5	-88.2	0	0	0	112.3	W437 R443 H444 L445 V483 S484 Q611 L701	W437-F441 AromaticContact CD1-CD2 3.48Å; W437-F441 VanDerWaalsContact CD1-CD2 3.48Å; W437-F441 HydrophobicContact CG-CD2 4.19Å; W437-F441 AromaticContact NE1-CD2 3.95Å; W437-F441 WeakPolarHBondContact O-CA 3.32Å; W437-F441 WeakPolarHBondContact O-CB 3.41Å; W437-F441 WeakPolarHBondContact O-CD2 3.45Å; W437-F441 PolarHBondContact O-N 2.99Å; F441-R443 VanDerWaalsContact C-N 3.34Å; F441-R443 PolarHBondContact O-N 3.19Å; F441-H444 WeakPolarHBondContact O-CB 3.34Å; F441-H444 PolarHBondContact O-N 3.23Å; F441-L445 HydrophobicContact CB-CD1 4.08Å; F441-L445 WeakPolarHBondContact O-CG 3.38Å; F441-L445 PolarHBondContact O-N 2.98Å; F441-V483 HydrophobicContact CE2-CG1 4.21Å; F441-V483 HydrophobicContact CZ-CG1 3.88Å; F441-S484 VanDerWaalsContact CD1-CB 3.48Å; F441-S484 VanDerWaalsContact CE1-CA 3.5Å; F441-Q611 HydrophobicContact CE1-CG 4.41Å; F441-Q611 HydrophobicContact CZ-CG 4.35Å; F441-L701 HydrophobicContact CE1-CD1 4.4Å; F441-L701 HydrophobicContact CZ-CD1 3.91Å
442	G	88.2	Confident	83	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-52.2	-45	-167.9	0	0	0	0	0	114.4	W437 F438 H444 L445	W437-G442 PolarHBondContact O-N 2.74Å; F438-G442 CarbonylContact O-C 3.57Å; F438-G442 WeakPolarHBondContact O-CA 3.5Å; F438-G442 PolarHBondContact O-N 2.94Å; G442-H444 PolarHBondContact O-N 3.44Å; G442-L445 PolarHBondContact O-N 3.35Å
443	R	87.4	Confident	82.5	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.008	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-16	-179.4	73.3	176.7	177.7	159.3	1.1	114.2	F438 I439 F441 R453 N516 I518	F438-R443 HydrophobicContact CD1-CB 4.34Å; F438-R443 HydrophobicContact CE1-CB 3.74Å; F438-R443 HydrophobicContact CZ-CB 3.89Å; F438-R443 PolarHBondContact O-N 3.49Å; I439-R443 PolarHBondContact O-NE 2.89Å; F441-R443 VanDerWaalsContact C-N 3.34Å; F441-R443 PolarHBondContact O-N 3.19Å; R443-R453 WeakPolarHBondContact O-CD 3.26Å; R443-R453 PolarHBondContact O-NH1 3.2Å; R443-N516 PolarHBondContact NH1-O 2.72Å; R443-I518 VanDerWaalsContact NH1-CD1 3.27Å
444	H	85.6	Confident	82.2	Confident	17 Å²	17	37 Å²	37	8%	0.079	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-22.8	-177.8	-63.1	-75.5	0	0	0	112.3	I439 A440 F441 G442 G446 R453 Y486	I439-H444 PolarHBondContact O-CD2 2.84Å; I439-H444 PolarHBondContact O-NE2 2.9Å; A440-H444 PolarHBondContact O-CD2 2.9Å; F441-H444 WeakPolarHBondContact O-CB 3.34Å; F441-H444 PolarHBondContact O-N 3.23Å; G442-H444 PolarHBondContact O-N 3.44Å; H444-G446 PolarHBondContact O-N 3.31Å; H444-R453 PolarHBondContact O-NH1 3.28Å; H444-Y486 HydrophobicContact CB-CD1 3.7Å; H444-Y486 HydrophobicContact CB-CD2 3.44Å; H444-Y486 VanDerWaalsContact CB-CD2 3.44Å; H444-Y486 HydrophobicContact CB-CE1 3.6Å; H444-Y486 HydrophobicContact CB-CE2 3.32Å; H444-Y486 HydrophobicContact CB-CG 3.61Å; H444-Y486 VanDerWaalsContact CB-CZ 3.4Å; H444-Y486 AromaticContact CD2-CD2 3.74Å; H444-Y486 AromaticContact CD2-CG 3.85Å; H444-Y486 AromaticContact CG-CD1 3.92Å; H444-Y486 AromaticContact CG-CD2 3.64Å; H444-Y486 AromaticContact CG-CG 3.54Å; H444-Y486 AromaticContact ND1-CG 3.97Å
445	L	76.3	Confident	82.1	Confident	60 Å²	60	35.5 Å²	35.5	31%	0.314	21%	0.205	S	C	.	.	S	Bend	trans	-75.2	119.8	178.2	-65.7	155.8	0	0	0	110	F441 G442 I605	F441-L445 HydrophobicContact CB-CD1 4.08Å; F441-L445 WeakPolarHBondContact O-CG 3.38Å; F441-L445 PolarHBondContact O-N 2.98Å; G442-L445 PolarHBondContact O-N 3.35Å; L445-I605 HydrophobicContact CB-CD1 3.62Å; L445-I605 HydrophobicContact CB-CG2 4.25Å; L445-I605 HydrophobicContact CD1-CG2 3.75Å; L445-I605 WeakPolarHBondContact O-CD1 3.44Å
446	G	66.9	Low	82	Confident	59 Å²	59	35.4 Å²	35.4	61%	0.608	20%	0.204	S	C	*	.	S	Bend	trans	143.4	-175.6	-175.1	0	0	0	0	0	112.2	H444 S448	H444-G446 PolarHBondContact O-N 3.31Å; G446-S448 PolarHBondContact O-N 3.31Å
447	S	57.6	Low	82	Confident	73 Å²	73	35.4 Å²	35.4	51%	0.51	20%	0.204	S	C	.	.			trans	-51.2	122.9	-179.4	-59.8	0	0	0	0	111.5	E449 R453	S447-E449 PolarHBondContact O-N 2.83Å; S447-E449 VanDerWaalsContact O-N 3.12Å; S447-R453 PolarHBondContact O-NH2 3.22Å
448	S	56.1	Low	82.1	Confident	97 Å²	97	35.5 Å²	35.5	68%	0.678	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.6	179.8	-176.3	0	0	0	0	113.1	G446 Y450	G446-S448 PolarHBondContact O-N 3.31Å; S448-Y450 VanDerWaalsContact C-N 3.28Å; S448-Y450 PolarHBondContact O-N 2.59Å
449	E	57.8	Low	82.1	Confident	167 Å²	167	35.5 Å²	35.5	78%	0.78	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-29.2	-178.7	-70	173.4	170	0	0	112.6	S447 S451	S447-E449 PolarHBondContact O-N 2.83Å; S447-E449 VanDerWaalsContact O-N 3.12Å; E449-S451 PolarHBondContact O-N 3.04Å
450	Y	62.6	Low	82	Confident	126 Å²	126	37.3 Å²	37.3	49%	0.494	22%	0.215	S	C	.	.			trans	-86.8	107.4	-176.8	-59.3	-73.9	0	0	0	112.2	S448 R453	S448-Y450 VanDerWaalsContact C-N 3.28Å; S448-Y450 PolarHBondContact O-N 2.59Å; Y450-R453 PolarHBondContact O-NE 3.43Å; Y450-R453 PolarHBondContact O-NH2 3.07Å; Y450-R453 VanDerWaalsContact O-NH2 3.17Å
451	S	73.7	Confident	81.9	Confident	74 Å²	74	39.4 Å²	39.4	52%	0.517	23%	0.229	S	C	.	.			trans	-75	-24.4	175.6	59.5	0	0	0	0	113.7	E449 T540	E449-S451 PolarHBondContact O-N 3.04Å; S451-T540 VanDerWaalsContact OG-CG2 3.22Å; S451-T540 WeakPolarHBondContact OG-CG2 3.4Å
452	N	83.9	Confident	81.9	Confident	20 Å²	20	43.4 Å²	43.4	11%	0.107	25%	0.247	C	C	.	.			trans	-88	118.3	178.9	-177.2	12.4	0	0	0	111.8	R454 P515 T540 G542	N452-R454 WeakPolarHBondContact OD1-CB 3.4Å; N452-R454 WeakPolarHBondContact OD1-CG 3.32Å; N452-R454 PolarHBondContact OD1-N 2.8Å; N452-R454 VanDerWaalsContact OD1-N 3.08Å; N452-P515 PolarHBondContact OD1-O 2.88Å; N452-T540 PolarHBondContact ND2-O 2.92Å; N452-G542 PolarHBondContact ND2-O 2.8Å
453	R	87	Confident	82	Confident	26 Å²	26	47.1 Å²	47.1	10%	0.098	27%	0.273	C	S	.	.			trans	-127.3	21.8	179	-54.2	-64.7	177.5	137.3	-4.4	112.3	R443 H444 S447 Y450 C455 P515 N516	R443-R453 WeakPolarHBondContact O-CD 3.26Å; R443-R453 PolarHBondContact O-NH1 3.2Å; H444-R453 PolarHBondContact O-NH1 3.28Å; S447-R453 PolarHBondContact O-NH2 3.22Å; Y450-R453 PolarHBondContact O-NE 3.43Å; Y450-R453 PolarHBondContact O-NH2 3.07Å; Y450-R453 VanDerWaalsContact O-NH2 3.17Å; R453-C455 PolarHBondContact O-N 3.09Å; R453-P515 CarbonylContact C-O 3.52Å; R453-P515 WeakPolarHBondContact CA-O 3.5Å; R453-P515 PolarHBondContact N-O 3.39Å; R453-N516 WeakPolarHBondContact CB-OD1 3.4Å
454	R	90.1	Very high	82.2	Confident	9 Å²	9	47 Å²	47	3%	0.034	27%	0.272	C	S	.	.			trans	-56.7	130.3	177.3	-74.6	-176.8	-162.3	138.5	15.9	110.6	N452 F511 Q512 D514 P515 G517 S544 W545	N452-R454 WeakPolarHBondContact OD1-CB 3.4Å; N452-R454 WeakPolarHBondContact OD1-CG 3.32Å; N452-R454 PolarHBondContact OD1-N 2.8Å; N452-R454 VanDerWaalsContact OD1-N 3.08Å; R454-F511 HydrophobicContact CB-CE1 4.44Å; R454-F511 HydrophobicContact CB-CE2 4.02Å; R454-F511 HydrophobicContact CB-CZ 3.72Å; R454-F511 WeakPolarHBondContact CD-O 3.44Å; R454-F511 HydrophobicContact CG-CE2 4.35Å; R454-F511 HydrophobicContact CG-CZ 4.24Å; R454-F511 PolarHBondContact NE-O 3.19Å; R454-Q512 PolarHBondContact NH2-O 2.96Å; R454-D514 WeakPolarHBondContact CG-O 3.31Å; R454-D514 PolarHBondContact NE-O 3.34Å; R454-P515 PolarHBondContact N-O 3.3Å; R454-G517 WeakPolarHBondContact CA-O 3.25Å; R454-S544 PolarHBondContact O-N 2.86Å; R454-W545 PolarHBondContact O-N 3.27Å; R454-W545 VanDerWaalsContact O-N 3.08Å
455	C	93.2	Very high	82.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.7	-177.7	-179.5	0	0	0	0	111.9	R453 G517 I518 L519 W545 I547	R453-C455 PolarHBondContact O-N 3.09Å; C455-G517 PolarHBondContact N-O 2.95Å; C455-I518 HydrophobicContact CB-CD1 3.55Å; C455-I518 WeakPolarHBondContact O-CA 3.44Å; C455-L519 PolarHBondContact O-N 2.95Å; C455-W545 CarbonylContact C-O 3.56Å; C455-W545 VanDerWaalsContact CA-O 3.28Å; C455-W545 WeakPolarHBondContact CA-O 3.33Å; C455-W545 HydrophobicContact CB-CB 3.87Å; C455-I547 WeakPolarHBondContact SG-CD1 3.45Å
456	L	94.1	Very high	83.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.8	175.4	178.6	61	0	0	0	109.4	F458 L519 A521 L531 V543 W545 V546 I547 R564	L456-F458 HydrophobicContact CD2-CD2 4.47Å; L456-F458 HydrophobicContact CD2-CE2 3.51Å; L456-F458 HydrophobicContact CD2-CZ 3.78Å; L456-F458 HydrophobicContact CG-CD2 4.22Å; L456-F458 HydrophobicContact CG-CE2 3.72Å; L456-F458 HydrophobicContact CG-CZ 4.21Å; L456-L519 CarbonylContact C-O 3.59Å; L456-L519 WeakPolarHBondContact CA-O 3.32Å; L456-L519 HydrophobicContact CD1-CB 3.86Å; L456-L519 HydrophobicContact CD1-CD2 3.73Å; L456-L519 HydrophobicContact CD1-CG 3.84Å; L456-A521 HydrophobicContact CD1-CB 4Å; L456-L531 HydrophobicContact CD2-CD1 4Å; L456-V543 HydrophobicContact CB-CG1 3.88Å; L456-V543 HydrophobicContact CB-CG2 4.32Å; L456-W545 PolarHBondContact N-O 2.85Å; L456-V546 HydrophobicContact CB-CG2 4.43Å; L456-V546 CarbonylContact O-C 3.59Å; L456-V546 WeakPolarHBondContact O-CA 3.35Å; L456-I547 PolarHBondContact O-N 3.01Å; L456-R564 HydrophobicContact CD2-CB 3.6Å; L456-R564 HydrophobicContact CD2-CG 3.84Å
457	I	96.5	Very high	84.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	120.9	-172.9	-54.2	167.9	0	0	0	109.3	L435 I439 L459 I518 L519 L520 A521 I547 F549	L435-I457 HydrophobicContact CD1-CD1 4.01Å; L435-I457 HydrophobicContact CD2-CD1 4.34Å; I439-I457 HydrophobicContact CD1-CD1 4.08Å; I457-L459 HydrophobicContact CG2-CD1 4.08Å; I457-I518 HydrophobicContact CD1-CG2 3.64Å; I457-L519 PolarHBondContact N-O 3.11Å; I457-L520 HydrophobicContact CB-CD2 3.93Å; I457-L520 HydrophobicContact CD1-CD2 4.07Å; I457-L520 HydrophobicContact CG2-CD2 3.93Å; I457-L520 CarbonylContact O-C 3.57Å; I457-L520 WeakPolarHBondContact O-CA 3.41Å; I457-A521 PolarHBondContact O-N 2.77Å; I457-I547 CarbonylContact C-O 3.53Å; I457-I547 WeakPolarHBondContact CA-O 3.33Å; I457-I547 HydrophobicContact CB-CB 4.48Å; I457-I547 HydrophobicContact CG1-CB 4.22Å; I457-I547 HydrophobicContact CG1-CD1 4.16Å; I457-I547 HydrophobicContact CG1-CG1 4.49Å; I457-I547 HydrophobicContact CG2-CB 4.3Å; I457-I547 HydrophobicContact CG2-CG2 4.42Å; I457-F549 HydrophobicContact CG2-CB 3.9Å
458	F	96.6	Very high	86.5	Confident	3 Å²	3	45.8 Å²	45.8	1%	0.013	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.4	-176.8	-81.2	-78.1	0	0	0	113.5	L456 A521 A526 V546 I547 F549 D550 R561 R564	L456-F458 HydrophobicContact CD2-CD2 4.47Å; L456-F458 HydrophobicContact CD2-CE2 3.51Å; L456-F458 HydrophobicContact CD2-CZ 3.78Å; L456-F458 HydrophobicContact CG-CD2 4.22Å; L456-F458 HydrophobicContact CG-CE2 3.72Å; L456-F458 HydrophobicContact CG-CZ 4.21Å; F458-A521 WeakPolarHBondContact CA-O 2.81Å; F458-A521 HydrophobicContact CD1-CB 4.44Å; F458-A521 HydrophobicContact CE1-CB 4.37Å; F458-A526 HydrophobicContact CD1-CB 4.2Å; F458-A526 HydrophobicContact CE1-CB 3.1Å; F458-A526 HydrophobicContact CZ-CB 3.36Å; F458-V546 HydrophobicContact CD2-CG1 3.93Å; F458-V546 HydrophobicContact CE2-CG1 4.08Å; F458-I547 PolarHBondContact N-O 3.21Å; F458-F549 WeakPolarHBondContact O-CB 3.23Å; F458-F549 PolarHBondContact O-N 3.12Å; F458-D550 PolarHBondContact O-N 3.04Å; F458-R561 HydrophobicContact CB-CG 4.32Å; F458-R561 HydrophobicContact CD1-CG 3.72Å; F458-R561 HydrophobicContact CD2-CB 3.87Å; F458-R561 HydrophobicContact CD2-CG 3.81Å; F458-R561 HydrophobicContact CE1-CG 3.76Å; F458-R561 HydrophobicContact CE2-CB 3.83Å; F458-R561 HydrophobicContact CE2-CG 3.9Å; F458-R561 HydrophobicContact CG-CB 4.27Å; F458-R561 HydrophobicContact CG-CG 3.7Å; F458-R561 HydrophobicContact CZ-CB 4.18Å; F458-R561 HydrophobicContact CZ-CG 3.87Å; F458-R564 HydrophobicContact CE2-CG 4Å; F458-R564 HydrophobicContact CZ-CG 3.88Å
459	L	95.3	Very high	88.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	147.3	170.8	-68.2	90.2	0	0	0	110	I457 S461 G464 V465 L468 L520 A521 F549	I457-L459 HydrophobicContact CG2-CD1 4.08Å; L459-S461 PolarHBondContact O-N 3.41Å; L459-G464 VanDerWaalsContact CD2-C 3.49Å; L459-V465 HydrophobicContact CB-CG2 3.81Å; L459-V465 HydrophobicContact CD1-CG2 4.21Å; L459-V465 HydrophobicContact CG-CG2 4.48Å; L459-L468 HydrophobicContact CD1-CD2 3.86Å; L459-L468 HydrophobicContact CD2-CB 4.18Å; L459-L468 HydrophobicContact CD2-CD2 3.86Å; L459-L468 HydrophobicContact CG-CD2 4.41Å; L459-L520 HydrophobicContact CD1-CD2 4.03Å; L459-A521 PolarHBondContact N-O 3.4Å; L459-F549 HydrophobicContact CD1-CB 4.27Å; L459-F549 HydrophobicContact CD2-CD1 3.63Å; L459-F549 HydrophobicContact CD2-CE1 4.06Å; L459-F549 HydrophobicContact CD2-CG 4.32Å; L459-F549 HydrophobicContact CG-CB 4.06Å; L459-F549 HydrophobicContact CG-CD1 3.81Å; L459-F549 HydrophobicContact CG-CG 4.18Å
460	N	91.6	Very high	90.1	Very high	39 Å²	39	33.2 Å²	33.2	21%	0.209	16%	0.164	C	C	.	.	S	Bend	trans	-70.8	-19.5	-178.5	-76.7	-23.8	0	0	0	112.6	D550 V551 R561	N460-D550 HydrophobicContact CB-CB 4.05Å; N460-D550 PolarHBondContact N-OD2 2.86Å; N460-D550 WeakPolarHBondContact ND2-CB 3.45Å; N460-V551 PolarHBondContact ND2-O 3.47Å; N460-R561 PolarHBondContact OD1-NH2 2.75Å
461	S	90.5	Very high	91.7	Very high	45 Å²	45	27.5 Å²	27.5	32%	0.315	14%	0.142	S	C	.	.			trans	-133.2	142.3	-171.4	67.3	0	0	0	0	113.1	L459 S463 G464 V465	L459-S461 PolarHBondContact O-N 3.41Å; S461-S463 VanDerWaalsContact C-N 3.27Å; S461-S463 PolarHBondContact O-N 3.36Å; S461-S463 PolarHBondContact OG-OG 3.32Å; S461-G464 PolarHBondContact O-N 2.89Å; S461-G464 VanDerWaalsContact O-N 3.17Å; S461-G464 WeakPolarHBondContact OG-CA 3.38Å; S461-G464 PolarHBondContact OG-N 2.59Å; S461-V465 WeakPolarHBondContact O-CG2 3.23Å; S461-V465 PolarHBondContact O-N 3.31Å
462	K	88	Confident	92.7	Very high	95 Å²	95	24.1 Å²	24.1	41%	0.413	12%	0.118	S	C	.	.	H	α-helix	trans	-62.8	-31.7	174.1	64.8	-178.5	-172.9	168.5	0	113.2	R466 H496 D498	K462-R466 WeakPolarHBondContact O-CG 3.33Å; K462-R466 PolarHBondContact O-N 3.4Å; K462-R466 VanDerWaalsContact O-N 3.12Å; K462-H496 HydrophobicContact CB-CB 4.14Å; K462-D498 VanDerWaalsContact CD-OD2 3.29Å; K462-D498 WeakPolarHBondContact CD-OD2 2.86Å; K462-D498 WeakPolarHBondContact CE-OD2 3.48Å; K462-D498 IonicContact NZ-OD1 2.96Å; K462-D498 PolarHBondContact NZ-OD1 2.93Å; K462-D498 IonicContact NZ-OD2 2.66Å; K462-D498 PolarHBondContact NZ-OD2 3.08Å
463	S	90.4	Very high	93.3	Very high	78 Å²	78	27 Å²	27	55%	0.545	13%	0.127	S	C	.	.	H	α-helix	trans	-68.1	-42.2	173.3	49.9	0	0	0	0	111.1	S461 R466 R467	S461-S463 VanDerWaalsContact C-N 3.27Å; S461-S463 PolarHBondContact O-N 3.36Å; S461-S463 PolarHBondContact OG-OG 3.32Å; S463-R466 PolarHBondContact O-N 2.78Å; S463-R467 WeakPolarHBondContact O-CB 2.86Å; S463-R467 PolarHBondContact O-N 3.38Å
464	G	92.6	Very high	93.6	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.4	-47.7	172.8	0	0	0	0	0	112.2	L459 S461 R466 R467 L468	L459-G464 VanDerWaalsContact CD2-C 3.49Å; S461-G464 PolarHBondContact O-N 2.89Å; S461-G464 VanDerWaalsContact O-N 3.17Å; S461-G464 WeakPolarHBondContact OG-CA 3.38Å; S461-G464 PolarHBondContact OG-N 2.59Å; G464-R466 PolarHBondContact O-N 2.95Å; G464-R467 PolarHBondContact O-N 3.49Å; G464-L468 WeakPolarHBondContact O-CB 3.27Å; G464-L468 PolarHBondContact O-N 3.44Å
465	V	94.4	Very high	93.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.8	-48.8	175.9	172.7	0	0	0	0	111.2	L459 S461 A469 V494 L520	L459-V465 HydrophobicContact CB-CG2 3.81Å; L459-V465 HydrophobicContact CD1-CG2 4.21Å; L459-V465 HydrophobicContact CG-CG2 4.48Å; S461-V465 WeakPolarHBondContact O-CG2 3.23Å; S461-V465 PolarHBondContact O-N 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.35Å; V465-A469 PolarHBondContact O-N 3.21Å; V465-V494 HydrophobicContact CG1-CG1 3.47Å; V465-V494 VanDerWaalsContact CG1-CG1 3.47Å; V465-L520 HydrophobicContact CG1-CB 4.15Å
466	R	91.5	Very high	93.9	Very high	73 Å²	73	27.9 Å²	27.9	28%	0.275	13%	0.134	S	C	.	.	H	α-helix	trans	-63.8	-45.2	-179.9	-72.9	-178.2	-177.8	108.2	-16.7	112.7	K462 S463 G464 A469 G470 H496 D498	K462-R466 WeakPolarHBondContact O-CG 3.33Å; K462-R466 PolarHBondContact O-N 3.4Å; K462-R466 VanDerWaalsContact O-N 3.12Å; S463-R466 PolarHBondContact O-N 2.78Å; G464-R466 PolarHBondContact O-N 2.95Å; R466-A469 PolarHBondContact O-N 3.05Å; R466-G470 PolarHBondContact O-N 2.91Å; R466-H496 VanDerWaalsContact CZ-CE1 3.47Å; R466-H496 PolarHBondContact NE-NE2 3.44Å; R466-H496 PolarHBondContact NH2-CE1 2.78Å; R466-D498 IonicContact CZ-OD2 3.74Å; R466-D498 IonicContact NH1-OD2 2.83Å; R466-D498 PolarHBondContact NH1-OD2 3.4Å; R466-D498 IonicContact NH2-OD2 2.99Å; R466-D498 PolarHBondContact NH2-OD2 3.48Å
467	R	94.1	Very high	93.8	Very high	106 Å²	106	31.9 Å²	31.9	40%	0.4	16%	0.162	S	C	.	.	H	α-helix	trans	-57.2	-54.5	176.7	-178.5	-163.7	72.2	-119.2	-1.6	110.4	S463 G464 A469 G470 V471	S463-R467 WeakPolarHBondContact O-CB 2.86Å; S463-R467 PolarHBondContact O-N 3.38Å; G464-R467 PolarHBondContact O-N 3.49Å; R467-A469 VanDerWaalsContact C-N 3.31Å; R467-A469 PolarHBondContact O-N 2.65Å; R467-G470 PolarHBondContact O-N 3.29Å; R467-G470 VanDerWaalsContact O-N 3.11Å; R467-V471 PolarHBondContact O-N 3.04Å; R467-V471 VanDerWaalsContact O-N 3.14Å
468	L	96.2	Very high	93.6	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-65.1	-37.1	-177.2	-176.5	58.4	0	0	0	111.8	L435 L459 G464 G470 V471 L472 L520 F549	L435-L468 HydrophobicContact CD2-CD1 3.96Å; L435-L468 HydrophobicContact CD2-CD2 3.6Å; L435-L468 HydrophobicContact CD2-CG 4.19Å; L459-L468 HydrophobicContact CD1-CD2 3.86Å; L459-L468 HydrophobicContact CD2-CB 4.18Å; L459-L468 HydrophobicContact CD2-CD2 3.86Å; L459-L468 HydrophobicContact CG-CD2 4.41Å; G464-L468 WeakPolarHBondContact O-CB 3.27Å; G464-L468 PolarHBondContact O-N 3.44Å; L468-G470 VanDerWaalsContact C-N 3.31Å; L468-G470 PolarHBondContact O-N 2.94Å; L468-V471 PolarHBondContact O-N 3.27Å; L468-L472 HydrophobicContact CD1-CD1 4.34Å; L468-L472 HydrophobicContact CD1-CG 4.35Å; L468-L472 HydrophobicContact CG-CD1 4.01Å; L468-L472 HydrophobicContact CG-CG 4.47Å; L468-L472 WeakPolarHBondContact O-CB 3.26Å; L468-L472 WeakPolarHBondContact O-CG 3.16Å; L468-L472 PolarHBondContact O-N 2.98Å; L468-L520 HydrophobicContact CD2-CD2 3.62Å; L468-L520 HydrophobicContact CG-CD2 4.02Å; L468-F549 HydrophobicContact CD2-CD1 4.5Å; L468-F549 HydrophobicContact CD2-CD2 4.05Å; L468-F549 HydrophobicContact CD2-CE2 4.11Å; L468-F549 HydrophobicContact CD2-CG 4.24Å; L468-F549 HydrophobicContact CD2-CZ 4.4Å
469	A	95.1	Very high	93.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-36.5	173.6	0	0	0	0	0	112.6	V465 R466 R467 R473 V494 L520	V465-A469 WeakPolarHBondContact O-CB 3.35Å; V465-A469 PolarHBondContact O-N 3.21Å; R466-A469 PolarHBondContact O-N 3.05Å; R467-A469 VanDerWaalsContact C-N 3.31Å; R467-A469 PolarHBondContact O-N 2.65Å; A469-R473 WeakPolarHBondContact O-CB 3.45Å; A469-R473 VanDerWaalsContact O-CG 3.31Å; A469-R473 WeakPolarHBondContact O-CG 3.25Å; A469-R473 PolarHBondContact O-N 3.42Å; A469-R473 PolarHBondContact O-NE 3.16Å; A469-V494 HydrophobicContact CB-CG2 3.48Å; A469-V494 VanDerWaalsContact CB-CG2 3.48Å; A469-L520 HydrophobicContact CB-CD1 3.58Å
470	G	93.9	Very high	93.4	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-58.2	-56.1	172.8	0	0	0	0	0	111.4	R466 R467 L468 L472 R473 Q474 D626	R466-G470 PolarHBondContact O-N 2.91Å; R467-G470 PolarHBondContact O-N 3.29Å; R467-G470 VanDerWaalsContact O-N 3.11Å; L468-G470 VanDerWaalsContact C-N 3.31Å; L468-G470 PolarHBondContact O-N 2.94Å; G470-L472 PolarHBondContact O-N 3.35Å; G470-R473 WeakPolarHBondContact O-CB 3.38Å; G470-R473 PolarHBondContact O-N 3.32Å; G470-R473 VanDerWaalsContact O-N 3.11Å; G470-Q474 PolarHBondContact O-N 3.49Å; G470-D626 WeakPolarHBondContact CA-OD1 2.86Å
471	V	96	Very high	93.4	Very high	5 Å²	5	34 Å²	34	3%	0.03	18%	0.175	C	C	.	.	H	α-helix	trans	-55.9	-48.2	176.7	-179.9	0	0	0	0	111.9	R467 L468 R473 Q474 L475 A622 K623	R467-V471 PolarHBondContact O-N 3.04Å; R467-V471 VanDerWaalsContact O-N 3.14Å; L468-V471 PolarHBondContact O-N 3.27Å; V471-R473 VanDerWaalsContact C-N 3.31Å; V471-R473 PolarHBondContact O-N 2.91Å; V471-Q474 WeakPolarHBondContact O-CB 3.36Å; V471-Q474 PolarHBondContact O-N 2.82Å; V471-Q474 VanDerWaalsContact O-N 3.16Å; V471-L475 HydrophobicContact CG1-CD1 4.09Å; V471-L475 WeakPolarHBondContact O-CG 3.32Å; V471-L475 PolarHBondContact O-N 3.31Å; V471-A622 HydrophobicContact CG1-CB 4.37Å; V471-K623 HydrophobicContact CG1-CG 4.11Å; V471-K623 HydrophobicContact CG2-CG 3.84Å
472	L	96.3	Very high	93.5	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-65	-32.2	179.4	-73.3	171.1	0	0	0	113	L435 I439 L468 G470 L475 L476 F481 V492 L520	L435-L472 HydrophobicContact CD2-CD1 4.42Å; I439-L472 HydrophobicContact CD1-CD2 4.01Å; L468-L472 HydrophobicContact CD1-CD1 4.34Å; L468-L472 HydrophobicContact CD1-CG 4.35Å; L468-L472 HydrophobicContact CG-CD1 4.01Å; L468-L472 HydrophobicContact CG-CG 4.47Å; L468-L472 WeakPolarHBondContact O-CB 3.26Å; L468-L472 WeakPolarHBondContact O-CG 3.16Å; L468-L472 PolarHBondContact O-N 2.98Å; G470-L472 PolarHBondContact O-N 3.35Å; L472-L475 HydrophobicContact CD2-CD1 4.09Å; L472-L475 PolarHBondContact O-N 3.12Å; L472-L476 VanDerWaalsContact O-CB 3.28Å; L472-L476 WeakPolarHBondContact O-CB 3.48Å; L472-L476 PolarHBondContact O-N 3.16Å; L472-F481 HydrophobicContact CD2-CZ 4.01Å; L472-V492 HydrophobicContact CB-CG1 4.05Å; L472-V492 HydrophobicContact CB-CG2 3.88Å; L472-V492 HydrophobicContact CD1-CG1 4.39Å; L472-L520 HydrophobicContact CD1-CD1 3.85Å; L472-L520 HydrophobicContact CD1-CD2 3.99Å; L472-L520 HydrophobicContact CD1-CG 4.3Å
473	R	95.1	Very high	93.6	Very high	80 Å²	80	28 Å²	28	30%	0.302	14%	0.144	S	C	.	.	H	α-helix	trans	-69	-35.9	172.5	-79.6	-175.7	-63.4	-97.9	-2.2	112.5	A469 G470 V471 L475 L476 S477 V492	A469-R473 WeakPolarHBondContact O-CB 3.45Å; A469-R473 VanDerWaalsContact O-CG 3.31Å; A469-R473 WeakPolarHBondContact O-CG 3.25Å; A469-R473 PolarHBondContact O-N 3.42Å; A469-R473 PolarHBondContact O-NE 3.16Å; G470-R473 WeakPolarHBondContact O-CB 3.38Å; G470-R473 PolarHBondContact O-N 3.32Å; G470-R473 VanDerWaalsContact O-N 3.11Å; V471-R473 VanDerWaalsContact C-N 3.31Å; V471-R473 PolarHBondContact O-N 2.91Å; R473-L475 VanDerWaalsContact C-N 3.35Å; R473-L476 PolarHBondContact O-N 2.93Å; R473-S477 VanDerWaalsContact O-CB 3.31Å; R473-S477 WeakPolarHBondContact O-CB 3.44Å; R473-S477 PolarHBondContact O-N 2.88Å; R473-S477 PolarHBondContact O-OG 3.24Å; R473-V492 HydrophobicContact CG-CB 4.43Å
474	Q	94.8	Very high	93.4	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.065	12%	0.12	C	C	.	.	H	α-helix	trans	-64.6	-42.3	173.3	-61.7	-52.2	-31	0	0	111.4	G470 V471 S477 S478 A622 I625 D626 E629	G470-Q474 PolarHBondContact O-N 3.49Å; V471-Q474 WeakPolarHBondContact O-CB 3.36Å; V471-Q474 PolarHBondContact O-N 2.82Å; V471-Q474 VanDerWaalsContact O-N 3.16Å; Q474-S477 PolarHBondContact O-N 3.07Å; Q474-S478 WeakPolarHBondContact O-CB 3.34Å; Q474-S478 PolarHBondContact O-N 3.07Å; Q474-S478 VanDerWaalsContact O-N 3.12Å; Q474-S478 PolarHBondContact O-OG 3.43Å; Q474-A622 HydrophobicContact CB-CB 4.09Å; Q474-I625 HydrophobicContact CG-CG2 4.18Å; Q474-D626 HydrophobicContact CG-CB 3.97Å; Q474-E629 PolarHBondContact NE2-OE2 3.27Å
475	L	95.9	Very high	93	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.4	-67.1	167.1	0	0	0	111.4	F436 V471 L472 R473 S478 D479 A480 F481 I618 V619 A622	F436-L475 HydrophobicContact CB-CD1 4.49Å; F436-L475 HydrophobicContact CD2-CD1 3.83Å; F436-L475 HydrophobicContact CD2-CD2 4.18Å; F436-L475 HydrophobicContact CD2-CG 4.47Å; F436-L475 HydrophobicContact CE2-CD2 4.19Å; F436-L475 HydrophobicContact CG-CD1 4.44Å; V471-L475 HydrophobicContact CG1-CD1 4.09Å; V471-L475 WeakPolarHBondContact O-CG 3.32Å; V471-L475 PolarHBondContact O-N 3.31Å; L472-L475 HydrophobicContact CD2-CD1 4.09Å; L472-L475 PolarHBondContact O-N 3.12Å; R473-L475 VanDerWaalsContact C-N 3.35Å; L475-S478 PolarHBondContact O-N 3.28Å; L475-D479 PolarHBondContact O-N 2.99Å; L475-A480 HydrophobicContact CB-CB 4.06Å; L475-A480 HydrophobicContact CD2-CB 3.86Å; L475-A480 WeakPolarHBondContact O-CB 3.39Å; L475-A480 PolarHBondContact O-N 3.43Å; L475-F481 HydrophobicContact CB-CE2 4.14Å; L475-F481 HydrophobicContact CB-CZ 4.32Å; L475-I618 HydrophobicContact CD2-CG2 3.37Å; L475-V619 HydrophobicContact CD1-CG2 4.34Å; L475-A622 HydrophobicContact CD2-CB 3.64Å; L475-A622 HydrophobicContact CG-CB 3.84Å
476	L	93.9	Very high	92.6	Very high	39 Å²	39	27.7 Å²	27.7	20%	0.204	14%	0.137	C	C	.	.	H	α-helix	trans	-62.3	-49.1	176.4	176.1	62.9	0	0	0	112.3	L472 R473 S478 D479 F481 L489 Q490 V492	L472-L476 VanDerWaalsContact O-CB 3.28Å; L472-L476 WeakPolarHBondContact O-CB 3.48Å; L472-L476 PolarHBondContact O-N 3.16Å; R473-L476 PolarHBondContact O-N 2.93Å; L476-S478 PolarHBondContact O-N 3.03Å; L476-D479 PolarHBondContact O-N 2.98Å; L476-F481 HydrophobicContact CB-CE2 4.48Å; L476-L489 HydrophobicContact CD1-CB 4.26Å; L476-L489 HydrophobicContact CD1-CG 4.46Å; L476-L489 WeakPolarHBondContact CD1-O 3.19Å; L476-Q490 WeakPolarHBondContact CD2-O 3.35Å; L476-V492 HydrophobicContact CD2-CG2 4.1Å
477	S	91.8	Very high	92.1	Very high	83 Å²	83	25.9 Å²	25.9	58%	0.58	13%	0.134	S	C	*	.	H	α-helix	trans	-65.9	-21.2	-177.9	-54.4	0	0	0	0	113.2	R473 Q474	R473-S477 VanDerWaalsContact O-CB 3.31Å; R473-S477 WeakPolarHBondContact O-CB 3.44Å; R473-S477 PolarHBondContact O-N 2.88Å; R473-S477 PolarHBondContact O-OG 3.24Å; Q474-S477 PolarHBondContact O-N 3.07Å
478	S	92.3	Very high	91.5	Very high	12 Å²	12	22.7 Å²	22.7	8%	0.084	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	1.2	175.6	-51.8	0	0	0	0	112.9	Q474 L475 L476 A480 L690 I694	Q474-S478 WeakPolarHBondContact O-CB 3.34Å; Q474-S478 PolarHBondContact O-N 3.07Å; Q474-S478 VanDerWaalsContact O-N 3.12Å; Q474-S478 PolarHBondContact O-OG 3.43Å; L475-S478 PolarHBondContact O-N 3.28Å; L476-S478 PolarHBondContact O-N 3.03Å; S478-A480 PolarHBondContact O-N 3.46Å; S478-L690 WeakPolarHBondContact OG-CD2 3.22Å; S478-I694 VanDerWaalsContact O-CD1 3.32Å; S478-I694 WeakPolarHBondContact O-CD1 3.06Å
479	D	92	Very high	90.9	Very high	72 Å²	72	22.8 Å²	22.8	39%	0.385	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	36.6	-172.8	-166.9	33.2	0	0	0	113.3	L475 L476 F481 S482 S488	L475-D479 PolarHBondContact O-N 2.99Å; L476-D479 PolarHBondContact O-N 2.98Å; D479-F481 PolarHBondContact O-N 3.44Å; D479-S482 WeakPolarHBondContact O-CB 3.29Å; D479-S482 PolarHBondContact O-N 2.99Å; D479-S482 VanDerWaalsContact O-N 3.13Å; D479-S482 PolarHBondContact O-OG 3.01Å; D479-S482 VanDerWaalsContact OD2-CB 3.27Å; D479-S482 WeakPolarHBondContact OD2-CB 3.44Å; D479-S482 PolarHBondContact OD2-OG 2.93Å; D479-S488 PolarHBondContact OD1-OG 3.45Å
480	A	94.4	Very high	90.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-63.2	-28.5	-176.2	0	0	0	0	0	113.1	F436 L475 S478 S482 V483 I618 I694	F436-A480 HydrophobicContact CE2-CB 3.91Å; F436-A480 HydrophobicContact CZ-CB 4.2Å; L475-A480 HydrophobicContact CB-CB 4.06Å; L475-A480 HydrophobicContact CD2-CB 3.86Å; L475-A480 WeakPolarHBondContact O-CB 3.39Å; L475-A480 PolarHBondContact O-N 3.43Å; S478-A480 PolarHBondContact O-N 3.46Å; A480-S482 PolarHBondContact O-N 2.91Å; A480-V483 WeakPolarHBondContact O-CB 3.29Å; A480-V483 WeakPolarHBondContact O-CG1 3.38Å; A480-V483 PolarHBondContact O-N 3.24Å; A480-I618 HydrophobicContact CB-CG2 4Å; A480-I694 HydrophobicContact CB-CD1 3.66Å; A480-I694 HydrophobicContact CB-CG1 4.16Å
481	F	93.3	Very high	90.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.018	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-69.6	-19.3	178.5	-63	-72.2	0	0	0	113	F436 I439 A440 L472 L475 L476 D479 V483 S484 L489	F436-F481 HydrophobicContact CD2-CD1 4.18Å; F436-F481 AromaticContact CD2-CE1 3.66Å; F436-F481 HydrophobicContact CD2-CE1 3.66Å; F436-F481 HydrophobicContact CD2-CZ 4.21Å; F436-F481 AromaticContact CE2-CD1 3.9Å; F436-F481 HydrophobicContact CE2-CD1 3.9Å; F436-F481 AromaticContact CE2-CE1 3.85Å; F436-F481 HydrophobicContact CE2-CE1 3.85Å; F436-F481 HydrophobicContact CE2-CZ 4.45Å; I439-F481 HydrophobicContact CB-CD1 4.47Å; I439-F481 HydrophobicContact CB-CE1 3.83Å; I439-F481 HydrophobicContact CG2-CD1 3.81Å; I439-F481 HydrophobicContact CG2-CE1 3.36Å; I439-F481 HydrophobicContact CG2-CZ 4.01Å; A440-F481 HydrophobicContact CB-CD1 4.09Å; L472-F481 HydrophobicContact CD2-CZ 4.01Å; L475-F481 HydrophobicContact CB-CE2 4.14Å; L475-F481 HydrophobicContact CB-CZ 4.32Å; L476-F481 HydrophobicContact CB-CE2 4.48Å; D479-F481 PolarHBondContact O-N 3.44Å; F481-V483 PolarHBondContact O-N 2.89Å; F481-V483 VanDerWaalsContact O-N 3.11Å; F481-S484 PolarHBondContact O-N 2.95Å; F481-S484 PolarHBondContact O-OG 2.86Å; F481-S484 VanDerWaalsContact O-OG 3.13Å; F481-L489 HydrophobicContact CD2-CB 3.78Å; F481-L489 HydrophobicContact CD2-CD2 4.38Å; F481-L489 HydrophobicContact CE2-CB 4.11Å; F481-L489 HydrophobicContact CE2-CD2 3.84Å; F481-L489 HydrophobicContact CG-CB 4.22Å; F481-L489 HydrophobicContact CZ-CD2 4.13Å
482	S	91	Very high	89.9	Confident	12 Å²	12	32 Å²	32	8%	0.084	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-62.9	-16	174.4	71.9	0	0	0	0	113.7	D479 A480 S484 G485 R698	D479-S482 WeakPolarHBondContact O-CB 3.29Å; D479-S482 PolarHBondContact O-N 2.99Å; D479-S482 VanDerWaalsContact O-N 3.13Å; D479-S482 PolarHBondContact O-OG 3.01Å; D479-S482 VanDerWaalsContact OD2-CB 3.27Å; D479-S482 WeakPolarHBondContact OD2-CB 3.44Å; D479-S482 PolarHBondContact OD2-OG 2.93Å; A480-S482 PolarHBondContact O-N 2.91Å; S482-S484 PolarHBondContact O-N 3.28Å; S482-S484 VanDerWaalsContact O-N 3.15Å; S482-G485 PolarHBondContact O-N 3.02Å; S482-R698 WeakPolarHBondContact O-CD 3.39Å
483	V	90.3	Very high	89.7	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-57.5	-28.1	178.6	77.3	0	0	0	0	112.8	F436 F441 A480 F481 I614 R698 L701	F436-V483 HydrophobicContact CE1-CG1 4.45Å; F436-V483 HydrophobicContact CZ-CG1 4.02Å; F441-V483 HydrophobicContact CE2-CG1 4.21Å; F441-V483 HydrophobicContact CZ-CG1 3.88Å; A480-V483 WeakPolarHBondContact O-CB 3.29Å; A480-V483 WeakPolarHBondContact O-CG1 3.38Å; A480-V483 PolarHBondContact O-N 3.24Å; F481-V483 PolarHBondContact O-N 2.89Å; F481-V483 VanDerWaalsContact O-N 3.11Å; V483-I614 HydrophobicContact CG2-CG2 4.28Å; V483-R698 HydrophobicContact CG2-CB 4.36Å; V483-L701 HydrophobicContact CG2-CD1 3.71Å
484	S	87.4	Confident	89.6	Confident	5 Å²	5	29.2 Å²	29.2	4%	0.035	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-87.5	-12.3	-179.9	67.8	0	0	0	0	114.3	A440 F441 F481 S482 Y486 M709	A440-S484 WeakPolarHBondContact O-CB 3.27Å; A440-S484 PolarHBondContact O-OG 3.11Å; F441-S484 VanDerWaalsContact CD1-CB 3.48Å; F441-S484 VanDerWaalsContact CE1-CA 3.5Å; F481-S484 PolarHBondContact O-N 2.95Å; F481-S484 PolarHBondContact O-OG 2.86Å; F481-S484 VanDerWaalsContact O-OG 3.13Å; S482-S484 PolarHBondContact O-N 3.28Å; S482-S484 VanDerWaalsContact O-N 3.15Å; S484-Y486 PolarHBondContact O-N 3.09Å; S484-Y486 PolarHBondContact OG-N 3.39Å; S484-M709 VanDerWaalsContact O-CE 3.29Å; S484-M709 WeakPolarHBondContact O-CE 3.42Å
485	G	83.9	Confident	89.2	Confident	14 Å²	14	28.7 Å²	28.7	14%	0.144	16%	0.159	C	C	.	.	S	Bend	trans	74.1	-7	-173.4	0	0	0	0	0	115	S482 C711	S482-G485 PolarHBondContact O-N 3.02Å; G485-C711 PolarHBondContact O-SG 2.99Å
486	Y	85.7	Confident	88.7	Confident	52 Å²	52	29 Å²	29	20%	0.204	16%	0.16	C	C	.	.	S	Bend	trans	-74.9	165.3	172.5	-70.2	-63.8	0	0	0	111.7	A440 H444 S484 S488 M709	A440-Y486 WeakPolarHBondContact O-CD2 3.44Å; H444-Y486 HydrophobicContact CB-CD1 3.7Å; H444-Y486 HydrophobicContact CB-CD2 3.44Å; H444-Y486 VanDerWaalsContact CB-CD2 3.44Å; H444-Y486 HydrophobicContact CB-CE1 3.6Å; H444-Y486 HydrophobicContact CB-CE2 3.32Å; H444-Y486 HydrophobicContact CB-CG 3.61Å; H444-Y486 VanDerWaalsContact CB-CZ 3.4Å; H444-Y486 AromaticContact CD2-CD2 3.74Å; H444-Y486 AromaticContact CD2-CG 3.85Å; H444-Y486 AromaticContact CG-CD1 3.92Å; H444-Y486 AromaticContact CG-CD2 3.64Å; H444-Y486 AromaticContact CG-CG 3.54Å; H444-Y486 AromaticContact ND1-CG 3.97Å; S484-Y486 PolarHBondContact O-N 3.09Å; S484-Y486 PolarHBondContact OG-N 3.39Å; Y486-S488 PolarHBondContact O-N 3.37Å; Y486-S488 VanDerWaalsContact O-N 3.1Å; Y486-M709 HydrophobicContact CD1-CE 3.91Å; Y486-M709 HydrophobicContact CD2-CE 3.62Å; Y486-M709 HydrophobicContact CE1-CE 3.4Å; Y486-M709 HydrophobicContact CE2-CE 3.09Å; Y486-M709 HydrophobicContact CG-CE 4.01Å; Y486-M709 VanDerWaalsContact OH-CE 3.28Å; Y486-M709 WeakPolarHBondContact OH-CE 3.2Å
487	P	80.8	Confident	87.8	Confident	35 Å²	35	29.6 Å²	29.6	23%	0.227	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-52.1	120.2	175	-27.8	36.8	0	0	0	111.4	Y712	P487-Y712 VanDerWaalsContact CG-O 3.31Å; P487-Y712 WeakPolarHBondContact CG-O 3.2Å
488	S	80.8	Confident	87.3	Confident	39 Å²	39	29 Å²	29	27%	0.273	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-63.8	144.6	-178.1	-158.2	0	0	0	0	110	D479 Y486	D479-S488 PolarHBondContact OD1-OG 3.45Å; Y486-S488 PolarHBondContact O-N 3.37Å; Y486-S488 VanDerWaalsContact O-N 3.1Å
489	L	84.7	Confident	86.8	Confident	5 Å²	5	29.3 Å²	29.3	3%	0.026	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-61.9	140.5	173.9	-176.3	61.5	0	0	0	108.9	L476 F481 Y491 V492 I518	L476-L489 HydrophobicContact CD1-CB 4.26Å; L476-L489 HydrophobicContact CD1-CG 4.46Å; L476-L489 WeakPolarHBondContact CD1-O 3.19Å; F481-L489 HydrophobicContact CD2-CB 3.78Å; F481-L489 HydrophobicContact CD2-CD2 4.38Å; F481-L489 HydrophobicContact CE2-CB 4.11Å; F481-L489 HydrophobicContact CE2-CD2 3.84Å; F481-L489 HydrophobicContact CG-CB 4.22Å; F481-L489 HydrophobicContact CZ-CD2 4.13Å; L489-Y491 WeakPolarHBondContact CD1-O 3.4Å; L489-V492 HydrophobicContact CD2-CG2 3.82Å; L489-I518 HydrophobicContact CD1-CB 4.15Å; L489-I518 HydrophobicContact CD1-CG1 3.54Å; L489-I518 HydrophobicContact CD2-CB 4.31Å; L489-I518 HydrophobicContact CD2-CG1 3.83Å; L489-I518 HydrophobicContact CG-CG1 4.35Å
490	Q	84.1	Confident	86.3	Confident	79 Å²	79	30.7 Å²	30.7	37%	0.369	17%	0.172	S	C	.	.			trans	-101.3	-38.4	178.4	-64.5	-175	12.8	0	0	112.6	L476	L476-Q490 WeakPolarHBondContact CD2-O 3.35Å
491	Y	87.3	Confident	85.4	Confident	101 Å²	101	31.3 Å²	31.3	40%	0.396	18%	0.175	S	C	.	.			trans	-138.9	142.2	-175.7	-64.2	-80.6	0	0	0	111.6	L489	L489-Y491 WeakPolarHBondContact CD1-O 3.4Å
492	V	91.9	Very high	84.7	Confident	19 Å²	19	35.4 Å²	35.4	12%	0.115	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	101.3	167.3	178.9	0	0	0	0	107.6	L472 R473 L476 L489 L520	L472-V492 HydrophobicContact CB-CG1 4.05Å; L472-V492 HydrophobicContact CB-CG2 3.88Å; L472-V492 HydrophobicContact CD1-CG1 4.39Å; R473-V492 HydrophobicContact CG-CB 4.43Å; L476-V492 HydrophobicContact CD2-CG2 4.1Å; L489-V492 HydrophobicContact CD2-CG2 3.82Å; V492-L520 HydrophobicContact CG1-CD1 3.54Å; V492-L520 HydrophobicContact CG1-CG 4.47Å
493	N	93.2	Very high	84.4	Confident	8 Å²	8	38.7 Å²	38.7	4%	0.043	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.7	178.6	-58.8	-68.6	0	0	0	110.3	A507 R510 F511 I518 L519 L520	N493-A507 HydrophobicContact CB-CB 4.22Å; N493-A507 PolarHBondContact OD1-O 3.48Å; N493-R510 WeakPolarHBondContact OD1-CB 3.29Å; N493-F511 HydrophobicContact CB-CB 4.48Å; N493-I518 WeakPolarHBondContact CB-O 3.41Å; N493-I518 PolarHBondContact N-O 3.38Å; N493-I518 VanDerWaalsContact N-O 3.1Å; N493-I518 PolarHBondContact ND2-O 2.8Å; N493-L519 HydrophobicContact CB-CD1 3.4Å; N493-L520 PolarHBondContact O-N 3.1Å
494	V	92.1	Very high	84.1	Confident	18 Å²	18	39.8 Å²	39.8	11%	0.109	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.2	-176.5	176.7	0	0	0	0	110	V465 A469 M499 L520	V465-V494 HydrophobicContact CG1-CG1 3.47Å; V465-V494 VanDerWaalsContact CG1-CG1 3.47Å; A469-V494 HydrophobicContact CB-CG2 3.48Å; A469-V494 VanDerWaalsContact CB-CG2 3.48Å; V494-M499 HydrophobicContact CG1-SD 4.17Å; V494-M499 VanDerWaalsContact O-CE 3.27Å; V494-M499 WeakPolarHBondContact O-CE 3.38Å; V494-L520 CarbonylContact C-O 3.54Å; V494-L520 WeakPolarHBondContact CA-O 3.39Å; V494-L520 HydrophobicContact CG2-CB 4.49Å; V494-L520 HydrophobicContact CG2-CD1 4.21Å
495	L	85.5	Confident	83.8	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	115	171.5	-70.1	178.7	0	0	0	111.1	R504 A507 L519 L520 A521 S522 A525 L529	L495-R504 HydrophobicContact CD2-CB 3.67Å; L495-R504 HydrophobicContact CD2-CG 3.95Å; L495-A507 HydrophobicContact CD2-CB 4.27Å; L495-L519 HydrophobicContact CD1-CD1 3.92Å; L495-L519 HydrophobicContact CD1-CD2 3.62Å; L495-L519 HydrophobicContact CD1-CG 4.04Å; L495-L519 HydrophobicContact CG-CD1 3.84Å; L495-L519 HydrophobicContact CG-CD2 4.44Å; L495-L519 HydrophobicContact CG-CG 4.36Å; L495-L520 PolarHBondContact N-O 3.46Å; L495-A521 HydrophobicContact CB-CB 4.19Å; L495-A521 WeakPolarHBondContact O-CA 3.14Å; L495-S522 PolarHBondContact O-N 3.41Å; L495-A525 VanDerWaalsContact C-CB 3.45Å; L495-A525 HydrophobicContact CB-CB 3.84Å; L495-A525 VanDerWaalsContact O-CB 3.31Å; L495-A525 WeakPolarHBondContact O-CB 3.1Å; L495-L529 HydrophobicContact CD1-CD1 3.6Å
496	H	85.5	Confident	83.9	Confident	8 Å²	8	44.3 Å²	44.3	4%	0.037	23%	0.226	C	C	.	.			trans	-142.7	164	169.8	65.4	69.8	0	0	0	112	K462 R466 D498 M499 S522	K462-H496 HydrophobicContact CB-CB 4.14Å; R466-H496 VanDerWaalsContact CZ-CE1 3.47Å; R466-H496 PolarHBondContact NE-NE2 3.44Å; R466-H496 PolarHBondContact NH2-CE1 2.78Å; H496-D498 PolarHBondContact ND1-N 3.02Å; H496-D498 PolarHBondContact O-N 3.23Å; H496-M499 WeakPolarHBondContact CE1-CG 3.45Å; H496-M499 PolarHBondContact N-SD 3.1Å; H496-M499 VanDerWaalsContact N-SD 3.42Å; H496-M499 WeakPolarHBondContact ND1-CG 3.32Å; H496-M499 PolarHBondContact ND1-N 3.01Å; H496-M499 WeakPolarHBondContact NE2-CG 3.27Å; H496-M499 WeakPolarHBondContact O-CB 3.44Å; H496-M499 PolarHBondContact O-N 3.4Å; H496-S522 WeakPolarHBondContact CA-OG 3.44Å
497	A	76.5	Confident	84	Confident	52 Å²	52	42.3 Å²	42.3	43%	0.43	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-39.3	-173.5	0	0	0	0	0	114.1	M499 V524	A497-M499 PolarHBondContact O-N 3.06Å; A497-V524 HydrophobicContact CB-CG1 4.21Å
498	D	81	Confident	84.1	Confident	70 Å²	70	41.8 Å²	41.8	37%	0.374	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	2.9	-177.8	-44.2	-22.2	0	0	0	114.2	K462 R466 H496	K462-D498 VanDerWaalsContact CD-OD2 3.29Å; K462-D498 WeakPolarHBondContact CD-OD2 2.86Å; K462-D498 WeakPolarHBondContact CE-OD2 3.48Å; K462-D498 IonicContact NZ-OD1 2.96Å; K462-D498 PolarHBondContact NZ-OD1 2.93Å; K462-D498 IonicContact NZ-OD2 2.66Å; K462-D498 PolarHBondContact NZ-OD2 3.08Å; R466-D498 IonicContact CZ-OD2 3.74Å; R466-D498 IonicContact NH1-OD2 2.83Å; R466-D498 PolarHBondContact NH1-OD2 3.4Å; R466-D498 IonicContact NH2-OD2 2.99Å; R466-D498 PolarHBondContact NH2-OD2 3.48Å; H496-D498 PolarHBondContact ND1-N 3.02Å; H496-D498 PolarHBondContact O-N 3.23Å
499	M	80.9	Confident	84.3	Confident	18 Å²	18	45.3 Å²	45.3	9%	0.089	23%	0.228	C	C	.	.	S	Bend	trans	-77.6	140.2	179.5	-67.4	179.6	70.7	0	0	111.1	V494 H496 A497 Q501 Q503 R504	V494-M499 HydrophobicContact CG1-SD 4.17Å; V494-M499 VanDerWaalsContact O-CE 3.27Å; V494-M499 WeakPolarHBondContact O-CE 3.38Å; H496-M499 WeakPolarHBondContact CE1-CG 3.45Å; H496-M499 PolarHBondContact N-SD 3.1Å; H496-M499 VanDerWaalsContact N-SD 3.42Å; H496-M499 WeakPolarHBondContact ND1-CG 3.32Å; H496-M499 PolarHBondContact ND1-N 3.01Å; H496-M499 WeakPolarHBondContact NE2-CG 3.27Å; H496-M499 WeakPolarHBondContact O-CB 3.44Å; H496-M499 PolarHBondContact O-N 3.4Å; A497-M499 PolarHBondContact O-N 3.06Å; M499-Q501 PolarHBondContact O-N 2.95Å; M499-Q503 HydrophobicContact CE-CB 4.01Å; M499-Q503 VanDerWaalsContact CE-CD 3.47Å; M499-Q503 HydrophobicContact CE-CG 3.51Å; M499-R504 HydrophobicContact CB-CG 3.5Å; M499-R504 VanDerWaalsContact CB-CG 3.5Å; M499-R504 HydrophobicContact CE-CG 4.37Å; M499-R504 HydrophobicContact CG-CG 4.4Å; M499-R504 HydrophobicContact SD-CG 4.19Å
500	V	82.2	Confident	84.5	Confident	102 Å²	102	49.9 Å²	49.9	62%	0.618	24%	0.244	S	C	*	.			trans	-60.2	134.4	166.8	-178.7	0	0	0	0	108.7	K502 Q503 R504	V500-K502 VanDerWaalsContact C-N 3.29Å; V500-K502 HydrophobicContact CG1-CB 4.47Å; V500-K502 PolarHBondContact O-N 2.96Å; V500-Q503 WeakPolarHBondContact O-CA 3.21Å; V500-Q503 VanDerWaalsContact O-CB 3.24Å; V500-Q503 WeakPolarHBondContact O-CB 3.49Å; V500-Q503 PolarHBondContact O-N 3.26Å; V500-R504 PolarHBondContact O-N 3Å
501	Q	74.7	Confident	84.7	Confident	13 Å²	13	46.1 Å²	46.1	6%	0.061	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-40.4	-172.9	-169.4	86.2	-5.1	0	0	113.9	R189 E190 M499 Q503 R504 L505	R189-Q501 VanDerWaalsContact CZ-CD 3.45Å; R189-Q501 VanDerWaalsContact NE-CG 3.28Å; E190-Q501 PolarHBondContact OE1-NE2 2.84Å; E190-Q501 PolarHBondContact OE1-OE1 2.83Å; M499-Q501 PolarHBondContact O-N 2.95Å; Q501-Q503 PolarHBondContact O-N 3.12Å; Q501-Q503 VanDerWaalsContact O-N 3.1Å; Q501-R504 CarbonylContact O-C 3.38Å; Q501-R504 WeakPolarHBondContact O-CA 3.06Å; Q501-R504 WeakPolarHBondContact O-CB 3.49Å; Q501-R504 PolarHBondContact O-N 3.21Å; Q501-L505 HydrophobicContact CG-CD1 4.17Å; Q501-L505 HydrophobicContact CG-CG 4.13Å; Q501-L505 PolarHBondContact O-N 2.9Å
502	K	79.7	Confident	84.6	Confident	89 Å²	89	43.5 Å²	43.5	39%	0.387	22%	0.218	S	C	.	.	H	α-helix	trans	-53	-37	178.9	-174.9	-179.2	177	-171.9	0	111.3	V500 R506	V500-K502 VanDerWaalsContact C-N 3.29Å; V500-K502 HydrophobicContact CG1-CB 4.47Å; V500-K502 PolarHBondContact O-N 2.96Å; K502-R506 VanDerWaalsContact CE-NH2 3.31Å; K502-R506 VanDerWaalsContact O-CG 3.28Å; K502-R506 WeakPolarHBondContact O-CG 3.34Å; K502-R506 PolarHBondContact O-N 3.45Å
503	Q	83.2	Confident	84.3	Confident	82 Å²	82	45.3 Å²	45.3	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-69.8	-40.4	173.9	-163	-175.2	9.2	0	0	112.2	M499 V500 Q501 R506 A507	M499-Q503 HydrophobicContact CE-CB 4.01Å; M499-Q503 VanDerWaalsContact CE-CD 3.47Å; M499-Q503 HydrophobicContact CE-CG 3.51Å; V500-Q503 WeakPolarHBondContact O-CA 3.21Å; V500-Q503 VanDerWaalsContact O-CB 3.24Å; V500-Q503 WeakPolarHBondContact O-CB 3.49Å; V500-Q503 PolarHBondContact O-N 3.26Å; Q501-Q503 PolarHBondContact O-N 3.12Å; Q501-Q503 VanDerWaalsContact O-N 3.1Å; Q503-R506 PolarHBondContact O-N 2.62Å; Q503-A507 WeakPolarHBondContact O-CB 3.42Å; Q503-A507 PolarHBondContact O-N 3.4Å
504	R	84.6	Confident	83.9	Confident	24 Å²	24	45.3 Å²	45.3	9%	0.091	24%	0.235	C	C	.	.	H	α-helix	trans	-60.8	-45.1	175.4	-62.3	-179.8	69	-157.7	-2.2	112.4	E190 L495 M499 V500 Q501 A507 L508 A525	E190-R504 VanDerWaalsContact CD-NH1 3.3Å; E190-R504 IonicContact OE1-CZ 3.45Å; E190-R504 IonicContact OE1-NE 3.56Å; E190-R504 IonicContact OE1-NH1 3.37Å; E190-R504 PolarHBondContact OE1-NH1 3.28Å; E190-R504 IonicContact OE1-NH2 3.05Å; E190-R504 PolarHBondContact OE1-NH2 2.9Å; E190-R504 VanDerWaalsContact OE1-NH2 3.12Å; E190-R504 IonicContact OE2-CZ 3.05Å; E190-R504 IonicContact OE2-NH1 3.66Å; E190-R504 PolarHBondContact OE2-NH1 3.49Å; E190-R504 IonicContact OE2-NH2 2.69Å; E190-R504 PolarHBondContact OE2-NH2 3.33Å; L495-R504 HydrophobicContact CD2-CB 3.67Å; L495-R504 HydrophobicContact CD2-CG 3.95Å; M499-R504 HydrophobicContact CB-CG 3.5Å; M499-R504 VanDerWaalsContact CB-CG 3.5Å; M499-R504 HydrophobicContact CE-CG 4.37Å; M499-R504 HydrophobicContact CG-CG 4.4Å; M499-R504 HydrophobicContact SD-CG 4.19Å; V500-R504 PolarHBondContact O-N 3Å; Q501-R504 CarbonylContact O-C 3.38Å; Q501-R504 WeakPolarHBondContact O-CA 3.06Å; Q501-R504 WeakPolarHBondContact O-CB 3.49Å; Q501-R504 PolarHBondContact O-N 3.21Å; R504-A507 PolarHBondContact O-N 2.62Å; R504-L508 WeakPolarHBondContact O-CB 3.05Å; R504-L508 PolarHBondContact O-N 2.86Å; R504-A525 PolarHBondContact NH2-O 3.4Å
505	L	82.2	Confident	83.6	Confident	49 Å²	49	46.7 Å²	46.7	26%	0.257	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-45.8	177.6	-70.6	172.4	0	0	0	111.2	I193 Q501 A507 L508 E509	I193-L505 HydrophobicContact CD1-CD2 4.34Å; Q501-L505 HydrophobicContact CG-CD1 4.17Å; Q501-L505 HydrophobicContact CG-CG 4.13Å; Q501-L505 PolarHBondContact O-N 2.9Å; L505-A507 VanDerWaalsContact C-N 3.34Å; L505-A507 PolarHBondContact O-N 2.93Å; L505-L508 WeakPolarHBondContact O-CB 3.29Å; L505-L508 PolarHBondContact O-N 2.96Å; L505-L508 VanDerWaalsContact O-N 3.14Å; L505-E509 VanDerWaalsContact O-CG 3.32Å; L505-E509 WeakPolarHBondContact O-CG 3.45Å; L505-E509 PolarHBondContact O-N 2.79Å
506	R	84.9	Confident	83.7	Confident	65 Å²	65	48 Å²	48	25%	0.245	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-41.1	175.2	-73.9	172.6	173.2	-172.9	-9.2	112.9	I135 K502 Q503 L508 E509 R510	I135-R506 VanDerWaalsContact CG2-NH1 3.34Å; K502-R506 VanDerWaalsContact CE-NH2 3.31Å; K502-R506 VanDerWaalsContact O-CG 3.28Å; K502-R506 WeakPolarHBondContact O-CG 3.34Å; K502-R506 PolarHBondContact O-N 3.45Å; Q503-R506 PolarHBondContact O-N 2.62Å; R506-L508 VanDerWaalsContact C-N 3.29Å; R506-L508 PolarHBondContact O-N 2.84Å; R506-E509 PolarHBondContact O-N 2.89Å; R506-R510 WeakPolarHBondContact O-CB 3.22Å; R506-R510 WeakPolarHBondContact O-CG 3.41Å; R506-R510 PolarHBondContact O-N 3.24Å
507	A	87.3	Confident	83.9	Confident	9 Å²	9	47.6 Å²	47.6	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-38.4	176.4	0	0	0	0	0	111.5	N493 L495 Q503 R504 L505 F511	N493-A507 HydrophobicContact CB-CB 4.22Å; N493-A507 PolarHBondContact OD1-O 3.48Å; L495-A507 HydrophobicContact CD2-CB 4.27Å; Q503-A507 WeakPolarHBondContact O-CB 3.42Å; Q503-A507 PolarHBondContact O-N 3.4Å; R504-A507 PolarHBondContact O-N 2.62Å; L505-A507 VanDerWaalsContact C-N 3.34Å; L505-A507 PolarHBondContact O-N 2.93Å; A507-F511 WeakPolarHBondContact O-CB 3.17Å; A507-F511 PolarHBondContact O-N 3.09Å; A507-F511 VanDerWaalsContact O-N 3.09Å
508	L	84.4	Confident	84.7	Confident	24 Å²	24	45.1 Å²	45.1	13%	0.126	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-47.3	175.1	-168.3	67.9	0	0	0	111.8	R504 L505 R506 F511 Q512 L519 L529 L531	R504-L508 WeakPolarHBondContact O-CB 3.05Å; R504-L508 PolarHBondContact O-N 2.86Å; L505-L508 WeakPolarHBondContact O-CB 3.29Å; L505-L508 PolarHBondContact O-N 2.96Å; L505-L508 VanDerWaalsContact O-N 3.14Å; R506-L508 VanDerWaalsContact C-N 3.29Å; R506-L508 PolarHBondContact O-N 2.84Å; L508-F511 PolarHBondContact O-N 3.2Å; L508-Q512 WeakPolarHBondContact O-CB 3.4Å; L508-Q512 WeakPolarHBondContact O-CG 3.31Å; L508-Q512 PolarHBondContact O-N 3.43Å; L508-L519 HydrophobicContact CD1-CD2 4.36Å; L508-L529 HydrophobicContact CD1-CD1 4.29Å; L508-L529 HydrophobicContact CD1-CD2 3.99Å; L508-L529 HydrophobicContact CD2-CD2 4.1Å; L508-L531 HydrophobicContact CD1-CD2 3.21Å; L508-L531 HydrophobicContact CG-CD2 4.31Å
509	E	85.1	Confident	85.4	Confident	114 Å²	114	41.8 Å²	41.8	53%	0.533	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-46.7	177.9	-73.5	165.8	-177.5	0	0	111.4	L505 R506 F511 Q512 A513	L505-E509 VanDerWaalsContact O-CG 3.32Å; L505-E509 WeakPolarHBondContact O-CG 3.45Å; L505-E509 PolarHBondContact O-N 2.79Å; R506-E509 PolarHBondContact O-N 2.89Å; E509-F511 VanDerWaalsContact C-N 3.33Å; E509-F511 PolarHBondContact O-N 2.75Å; E509-Q512 PolarHBondContact O-N 2.81Å; E509-A513 WeakPolarHBondContact O-CB 3.28Å; E509-A513 PolarHBondContact O-N 3.01Å
510	R	88.2	Confident	86.1	Confident	100 Å²	100	41 Å²	41	38%	0.377	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-42	175.6	-75.7	177.4	177.5	179	-3.1	112.1	N493 R506 A513 D514	N493-R510 WeakPolarHBondContact OD1-CB 3.29Å; R506-R510 WeakPolarHBondContact O-CB 3.22Å; R506-R510 WeakPolarHBondContact O-CG 3.41Å; R506-R510 PolarHBondContact O-N 3.24Å; R510-A513 PolarHBondContact O-N 2.97Å; R510-D514 PolarHBondContact O-N 3.32Å
511	F	88.6	Confident	86.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-40.5	176.4	173.2	-99.8	0	0	0	112.3	R454 N493 A507 L508 E509 D514 G517 L519 L531 V543	R454-F511 HydrophobicContact CB-CE1 4.44Å; R454-F511 HydrophobicContact CB-CE2 4.02Å; R454-F511 HydrophobicContact CB-CZ 3.72Å; R454-F511 WeakPolarHBondContact CD-O 3.44Å; R454-F511 HydrophobicContact CG-CE2 4.35Å; R454-F511 HydrophobicContact CG-CZ 4.24Å; R454-F511 PolarHBondContact NE-O 3.19Å; N493-F511 HydrophobicContact CB-CB 4.48Å; A507-F511 WeakPolarHBondContact O-CB 3.17Å; A507-F511 PolarHBondContact O-N 3.09Å; A507-F511 VanDerWaalsContact O-N 3.09Å; L508-F511 PolarHBondContact O-N 3.2Å; E509-F511 VanDerWaalsContact C-N 3.33Å; E509-F511 PolarHBondContact O-N 2.75Å; F511-D514 VanDerWaalsContact O-O 3.13Å; F511-G517 VanDerWaalsContact CE2-O 3.27Å; F511-G517 WeakPolarHBondContact CE2-O 3.44Å; F511-L519 HydrophobicContact CB-CB 4.48Å; F511-L519 HydrophobicContact CB-CD1 4.43Å; F511-L519 HydrophobicContact CD1-CB 4.39Å; F511-L519 HydrophobicContact CD1-CD2 4.06Å; F511-L519 HydrophobicContact CD2-CB 3.51Å; F511-L519 HydrophobicContact CE1-CD2 4.38Å; F511-L519 HydrophobicContact CE2-CB 3.65Å; F511-L519 HydrophobicContact CG-CB 3.86Å; F511-L519 HydrophobicContact CG-CD2 4.16Å; F511-L519 HydrophobicContact CG-CG 4.46Å; F511-L519 HydrophobicContact CZ-CB 4.17Å; F511-L531 HydrophobicContact CD1-CD2 3.78Å; F511-L531 HydrophobicContact CE1-CB 4.4Å; F511-L531 HydrophobicContact CE1-CD1 3.84Å; F511-L531 HydrophobicContact CE1-CD2 3.76Å; F511-L531 HydrophobicContact CE1-CG 4.21Å; F511-V543 HydrophobicContact CE1-CG2 4.06Å; F511-V543 HydrophobicContact CZ-CG2 4.04Å
512	Q	84.5	Confident	87.4	Confident	47 Å²	47	35.8 Å²	35.8	22%	0.22	18%	0.177	C	C	.	.	H	α-helix	trans	-71.3	-29.9	176.9	-74	175.2	-20.6	0	0	112.5	R454 L508 E509 D530 L531	R454-Q512 PolarHBondContact NH2-O 2.96Å; L508-Q512 WeakPolarHBondContact O-CB 3.4Å; L508-Q512 WeakPolarHBondContact O-CG 3.31Å; L508-Q512 PolarHBondContact O-N 3.43Å; E509-Q512 PolarHBondContact O-N 2.81Å; Q512-D530 PolarHBondContact NE2-O 2.72Å; Q512-L531 HydrophobicContact CG-CD2 4.33Å
513	A	85.1	Confident	87.4	Confident	56 Å²	56	32.7 Å²	32.7	46%	0.463	16%	0.164	S	C	.	.	H	α-helix	trans	-74.2	-28.8	177.3	0	0	0	0	0	112.8	E509 R510	E509-A513 WeakPolarHBondContact O-CB 3.28Å; E509-A513 PolarHBondContact O-N 3.01Å; R510-A513 PolarHBondContact O-N 2.97Å
514	D	86.1	Confident	86.8	Confident	9 Å²	9	32.4 Å²	32.4	5%	0.048	17%	0.168	C	C	.	.			trans	-95.7	115.2	-176.8	-176.3	1.3	0	0	0	111.5	R454 R510 F511 N516 G517 I716	R454-D514 WeakPolarHBondContact CG-O 3.31Å; R454-D514 PolarHBondContact NE-O 3.34Å; R510-D514 PolarHBondContact O-N 3.32Å; F511-D514 VanDerWaalsContact O-O 3.13Å; D514-N516 PolarHBondContact O-N 3.44Å; D514-N516 WeakPolarHBondContact OD1-CA 3.19Å; D514-N516 PolarHBondContact OD1-N 3.22Å; D514-G517 VanDerWaalsContact CG-N 3.28Å; D514-G517 PolarHBondContact O-N 3.16Å; D514-G517 VanDerWaalsContact O-N 3.1Å; D514-G517 PolarHBondContact OD1-N 3.05Å; D514-G517 WeakPolarHBondContact OD2-CA 3.39Å; D514-G517 PolarHBondContact OD2-N 3.43Å; D514-I716 HydrophobicContact CB-CD1 3.71Å; D514-I716 VanDerWaalsContact CG-CD1 3.47Å; D514-I716 WeakPolarHBondContact OD1-CD1 3.42Å
515	P	85.2	Confident	85.8	Confident	46 Å²	46	31.3 Å²	31.3	30%	0.299	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.7	174.3	28	-34.8	0	0	0	113.1	N452 R453 R454	N452-P515 PolarHBondContact OD1-O 2.88Å; R453-P515 CarbonylContact C-O 3.52Å; R453-P515 WeakPolarHBondContact CA-O 3.5Å; R453-P515 PolarHBondContact N-O 3.39Å; R454-P515 PolarHBondContact N-O 3.3Å
516	N	87.3	Confident	84.8	Confident	31 Å²	31	29 Å²	29	17%	0.166	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	14.2	175.3	-67.7	-35.5	0	0	0	112.8	R443 R453 D514	R443-N516 PolarHBondContact NH1-O 2.72Å; R453-N516 WeakPolarHBondContact CB-OD1 3.4Å; D514-N516 PolarHBondContact O-N 3.44Å; D514-N516 WeakPolarHBondContact OD1-CA 3.19Å; D514-N516 PolarHBondContact OD1-N 3.22Å
517	G	90.3	Very high	84.2	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.			trans	-62.6	145.6	-172	0	0	0	0	0	114	R454 C455 F511 D514	R454-G517 WeakPolarHBondContact CA-O 3.25Å; C455-G517 PolarHBondContact N-O 2.95Å; F511-G517 VanDerWaalsContact CE2-O 3.27Å; F511-G517 WeakPolarHBondContact CE2-O 3.44Å; D514-G517 VanDerWaalsContact CG-N 3.28Å; D514-G517 PolarHBondContact O-N 3.16Å; D514-G517 VanDerWaalsContact O-N 3.1Å; D514-G517 PolarHBondContact OD1-N 3.05Å; D514-G517 WeakPolarHBondContact OD2-CA 3.39Å; D514-G517 PolarHBondContact OD2-N 3.43Å
518	I	93.6	Very high	83.1	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.1	171.6	-62.3	-60.4	0	0	0	109.6	I439 R443 C455 I457 L489 N493	I439-I518 HydrophobicContact CD1-CD1 4.45Å; I439-I518 HydrophobicContact CG1-CD1 4.29Å; I439-I518 HydrophobicContact CG2-CD1 4.33Å; I439-I518 HydrophobicContact CG2-CG1 4.43Å; R443-I518 VanDerWaalsContact NH1-CD1 3.27Å; C455-I518 HydrophobicContact CB-CD1 3.55Å; C455-I518 WeakPolarHBondContact O-CA 3.44Å; I457-I518 HydrophobicContact CD1-CG2 3.64Å; L489-I518 HydrophobicContact CD1-CB 4.15Å; L489-I518 HydrophobicContact CD1-CG1 3.54Å; L489-I518 HydrophobicContact CD2-CB 4.31Å; L489-I518 HydrophobicContact CD2-CG1 3.83Å; L489-I518 HydrophobicContact CG-CG1 4.35Å; N493-I518 WeakPolarHBondContact CB-O 3.41Å; N493-I518 PolarHBondContact N-O 3.38Å; N493-I518 VanDerWaalsContact N-O 3.1Å; N493-I518 PolarHBondContact ND2-O 2.8Å
519	L	94.5	Very high	82.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	115.3	173.5	-170.2	62.2	0	0	0	110.5	C455 L456 I457 N493 L495 L508 F511 L529	C455-L519 PolarHBondContact O-N 2.95Å; L456-L519 CarbonylContact C-O 3.59Å; L456-L519 WeakPolarHBondContact CA-O 3.32Å; L456-L519 HydrophobicContact CD1-CB 3.86Å; L456-L519 HydrophobicContact CD1-CD2 3.73Å; L456-L519 HydrophobicContact CD1-CG 3.84Å; I457-L519 PolarHBondContact N-O 3.11Å; N493-L519 HydrophobicContact CB-CD1 3.4Å; L495-L519 HydrophobicContact CD1-CD1 3.92Å; L495-L519 HydrophobicContact CD1-CD2 3.62Å; L495-L519 HydrophobicContact CD1-CG 4.04Å; L495-L519 HydrophobicContact CG-CD1 3.84Å; L495-L519 HydrophobicContact CG-CD2 4.44Å; L495-L519 HydrophobicContact CG-CG 4.36Å; L508-L519 HydrophobicContact CD1-CD2 4.36Å; F511-L519 HydrophobicContact CB-CB 4.48Å; F511-L519 HydrophobicContact CB-CD1 4.43Å; F511-L519 HydrophobicContact CD1-CB 4.39Å; F511-L519 HydrophobicContact CD1-CD2 4.06Å; F511-L519 HydrophobicContact CD2-CB 3.51Å; F511-L519 HydrophobicContact CE1-CD2 4.38Å; F511-L519 HydrophobicContact CE2-CB 3.65Å; F511-L519 HydrophobicContact CG-CB 3.86Å; F511-L519 HydrophobicContact CG-CD2 4.16Å; F511-L519 HydrophobicContact CG-CG 4.46Å; F511-L519 HydrophobicContact CZ-CB 4.17Å; L519-L529 HydrophobicContact CD2-CD1 4.4Å
520	L	96	Very high	81.3	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.1	170.1	-64.5	157.3	0	0	0	108.9	I457 L459 V465 L468 A469 L472 V492 N493 V494 L495	I457-L520 HydrophobicContact CB-CD2 3.93Å; I457-L520 HydrophobicContact CD1-CD2 4.07Å; I457-L520 HydrophobicContact CG2-CD2 3.93Å; I457-L520 CarbonylContact O-C 3.57Å; I457-L520 WeakPolarHBondContact O-CA 3.41Å; L459-L520 HydrophobicContact CD1-CD2 4.03Å; V465-L520 HydrophobicContact CG1-CB 4.15Å; L468-L520 HydrophobicContact CD2-CD2 3.62Å; L468-L520 HydrophobicContact CG-CD2 4.02Å; A469-L520 HydrophobicContact CB-CD1 3.58Å; L472-L520 HydrophobicContact CD1-CD1 3.85Å; L472-L520 HydrophobicContact CD1-CD2 3.99Å; L472-L520 HydrophobicContact CD1-CG 4.3Å; V492-L520 HydrophobicContact CG1-CD1 3.54Å; V492-L520 HydrophobicContact CG1-CG 4.47Å; N493-L520 PolarHBondContact O-N 3.1Å; V494-L520 CarbonylContact C-O 3.54Å; V494-L520 WeakPolarHBondContact CA-O 3.39Å; V494-L520 HydrophobicContact CG2-CB 4.49Å; V494-L520 HydrophobicContact CG2-CD1 4.21Å; L495-L520 PolarHBondContact N-O 3.46Å
521	A	93.5	Very high	80.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.8	-178.6	0	0	0	0	0	112.8	L456 I457 F458 L459 L495 A526	L456-A521 HydrophobicContact CD1-CB 4Å; I457-A521 PolarHBondContact O-N 2.77Å; F458-A521 WeakPolarHBondContact CA-O 2.81Å; F458-A521 HydrophobicContact CD1-CB 4.44Å; F458-A521 HydrophobicContact CE1-CB 4.37Å; L459-A521 PolarHBondContact N-O 3.4Å; L495-A521 HydrophobicContact CB-CB 4.19Å; L495-A521 WeakPolarHBondContact O-CA 3.14Å; A521-A526 HydrophobicContact CB-CB 3.58Å
522	S	90.4	Very high	78.6	Confident	7 Å²	7	19.6 Å²	19.6	5%	0.049	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	158.5	161.5	66.5	0	0	0	0	110.3	L495 H496 V524 A525 A526	L495-S522 PolarHBondContact O-N 3.41Å; H496-S522 WeakPolarHBondContact CA-OG 3.44Å; S522-V524 PolarHBondContact O-N 2.9Å; S522-A525 PolarHBondContact O-N 3.46Å; S522-A526 PolarHBondContact O-N 3.05Å
523	D	81.5	Confident	76.7	Confident	23 Å²	23	18.9 Å²	18.9	12%	0.123	12%	0.118	C	C	.	.	H	α-helix	trans	-49.5	-52.6	-177.4	-67.7	-43.4	0	0	0	114.2	A525 A526 R527 L557 R561	D523-A525 PolarHBondContact O-N 2.9Å; D523-A526 PolarHBondContact O-N 3.31Å; D523-R527 VanDerWaalsContact O-CG 3.23Å; D523-R527 WeakPolarHBondContact O-CG 3.46Å; D523-L557 HydrophobicContact CB-CD1 4Å; D523-L557 WeakPolarHBondContact OD1-CD1 3.37Å; D523-L557 WeakPolarHBondContact OD2-CD2 3.12Å; D523-R561 IonicContact OD1-CZ 3.94Å; D523-R561 IonicContact OD1-NE 2.73Å; D523-R561 PolarHBondContact OD1-NE 3.35Å; D523-R561 IonicContact OD1-NH2 3.5Å; D523-R561 PolarHBondContact OD1-NH2 2.93Å; D523-R561 IonicContact OD2-NH2 2.91Å; D523-R561 PolarHBondContact OD2-NH2 3.13Å
524	V	69.3	Low	74.6	Confident	77 Å²	77	21.5 Å²	21.5	47%	0.467	13%	0.133	S	C	.	.	H	α-helix	trans	-57.2	-36.9	-179.7	177.3	0	0	0	0	111.4	A497 S522	A497-V524 HydrophobicContact CB-CG1 4.21Å; S522-V524 PolarHBondContact O-N 2.9Å
525	A	64.8	Low	72.5	Confident	0 Å²	0	26 Å²	26	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-86.1	-16.6	-169.1	0	0	0	0	0	114.3	L495 R504 S522 D523	L495-A525 VanDerWaalsContact C-CB 3.45Å; L495-A525 HydrophobicContact CB-CB 3.84Å; L495-A525 VanDerWaalsContact O-CB 3.31Å; L495-A525 WeakPolarHBondContact O-CB 3.1Å; R504-A525 PolarHBondContact NH2-O 3.4Å; S522-A525 PolarHBondContact O-N 3.46Å; D523-A525 PolarHBondContact O-N 2.9Å
526	A	61.1	Low	70.4	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.008	16%	0.161	C	C	.	.	H	α-helix	trans	-103.4	-3	178.9	0	0	0	0	0	114.6	F458 A521 S522 D523 L529	F458-A526 HydrophobicContact CD1-CB 4.2Å; F458-A526 HydrophobicContact CE1-CB 3.1Å; F458-A526 HydrophobicContact CZ-CB 3.36Å; A521-A526 HydrophobicContact CB-CB 3.58Å; S522-A526 PolarHBondContact O-N 3.05Å; D523-A526 PolarHBondContact O-N 3.31Å; A526-L529 HydrophobicContact CB-CD1 4.1Å; A526-L529 PolarHBondContact O-N 2.7Å
527	R	71.8	Confident	68	Low	39 Å²	39	32.1 Å²	32.1	15%	0.147	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	141.2	174.6	-57	-177.6	178.3	179.4	-11.4	110	T188 E271 D523 L529	T188-R527 HydrophobicContact CG2-CB 3.83Å; T188-R527 PolarHBondContact OG1-O 2.96Å; E271-R527 IonicContact OE1-NH2 3.72Å; E271-R527 IonicContact OE2-CZ 2.8Å; E271-R527 IonicContact OE2-NH1 2.9Å; E271-R527 PolarHBondContact OE2-NH1 2.66Å; E271-R527 IonicContact OE2-NH2 3.37Å; E271-R527 PolarHBondContact OE2-NH2 2.67Å; D523-R527 VanDerWaalsContact O-CG 3.23Å; D523-R527 WeakPolarHBondContact O-CG 3.46Å; R527-L529 PolarHBondContact O-N 3.32Å
528	G	64.6	Low	66.1	Low	3 Å²	3	35.3 Å²	35.3	3%	0.031	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	12.7	178.1	0	0	0	0	0	115.6	Q194 D530	Q194-G528 PolarHBondContact OE1-O 2.91Å; G528-D530 PolarHBondContact O-N 3.32Å
529	L	66.8	Low	64	Low	4 Å²	4	44.2 Å²	44.2	2%	0.021	25%	0.251	C	S	.	.			trans	-70.8	127.6	168.4	-67.3	179.7	0	0	0	108.9	E190 L495 L508 L519 A526 R527 L531 R564 R567	E190-L529 HydrophobicContact CB-CD2 3.9Å; E190-L529 HydrophobicContact CG-CD2 3.82Å; L495-L529 HydrophobicContact CD1-CD1 3.6Å; L508-L529 HydrophobicContact CD1-CD1 4.29Å; L508-L529 HydrophobicContact CD1-CD2 3.99Å; L508-L529 HydrophobicContact CD2-CD2 4.1Å; L519-L529 HydrophobicContact CD2-CD1 4.4Å; A526-L529 HydrophobicContact CB-CD1 4.1Å; A526-L529 PolarHBondContact O-N 2.7Å; R527-L529 PolarHBondContact O-N 3.32Å; L529-L531 HydrophobicContact CB-CG 4.31Å; L529-R564 PolarHBondContact O-NH1 3.01Å; L529-R564 VanDerWaalsContact O-NH1 3.07Å; L529-R567 PolarHBondContact O-NH1 2.85Å; L529-R567 PolarHBondContact O-NH2 2.8Å
530	D	64.6	Low	62.1	Low	41 Å²	41	46.2 Å²	46.2	22%	0.219	26%	0.263	C	S	.	.			trans	-108.1	120	158.9	-160.3	14.5	0	0	0	110.1	Q194 Q512 G528 R567	Q194-D530 HydrophobicContact CG-CB 4.28Å; Q194-D530 PolarHBondContact NE2-OD2 3.12Å; Q194-D530 VanDerWaalsContact NE2-OD2 3.09Å; Q512-D530 PolarHBondContact NE2-O 2.72Å; G528-D530 PolarHBondContact O-N 3.32Å; D530-R567 VanDerWaalsContact CA-NH1 3.33Å; D530-R567 IonicContact OD1-CZ 3.12Å; D530-R567 IonicContact OD1-NH1 3.83Å; D530-R567 PolarHBondContact OD1-NH1 3.34Å
531	L	65.1	Low	60.8	Low	3 Å²	3	46.7 Å²	46.7	2%	0.016	27%	0.266	C	S	.	.			trans	-105.8	4.3	-171.4	-66.4	168.5	0	0	0	111.1	L456 L508 F511 Q512 L529 S533 V543	L456-L531 HydrophobicContact CD2-CD1 4Å; L508-L531 HydrophobicContact CD1-CD2 3.21Å; L508-L531 HydrophobicContact CG-CD2 4.31Å; F511-L531 HydrophobicContact CD1-CD2 3.78Å; F511-L531 HydrophobicContact CE1-CB 4.4Å; F511-L531 HydrophobicContact CE1-CD1 3.84Å; F511-L531 HydrophobicContact CE1-CD2 3.76Å; F511-L531 HydrophobicContact CE1-CG 4.21Å; Q512-L531 HydrophobicContact CG-CD2 4.33Å; L529-L531 HydrophobicContact CB-CG 4.31Å; L531-S533 PolarHBondContact O-N 3.47Å; L531-V543 HydrophobicContact CB-CG2 3.72Å; L531-V543 HydrophobicContact CD1-CG2 3.2Å; L531-V543 HydrophobicContact CG-CG2 4.04Å
532	A	55.3	Low	60.2	Low	25 Å²	25	47.2 Å²	47.2	21%	0.207	27%	0.271	C	S	.	.	S	Bend	trans	-76.9	111.7	160.1	0	0	0	0	0	107.4
533	S	43.5	Very low	60.1	Low	31 Å²	31	47.3 Å²	47.3	22%	0.217	27%	0.271	C	S	.	.			trans	-56.8	150.4	165.6	22.4	0	0	0	0	109.7	L531 D535 N541	L531-S533 PolarHBondContact O-N 3.47Å; S533-D535 PolarHBondContact O-N 3.26Å; S533-N541 PolarHBondContact OG-ND2 2.94Å; S533-N541 PolarHBondContact OG-OD1 2.98Å
534	S	42	Very low	60.5	Low	112 Å²	112	47.5 Å²	47.5	78%	0.783	28%	0.275	S	S	*	.	S	Bend	trans	-53.2	-19.8	-177.7	58.4	0	0	0	0	114.4	S536	S534-S536 VanDerWaalsContact C-N 3.27Å; S534-S536 PolarHBondContact O-N 3Å
535	D	41	Very low	61.6	Low	104 Å²	104	45 Å²	45	56%	0.556	26%	0.257	S	S	*	.			trans	-82.8	76.5	176.6	-58.5	-14.7	0	0	0	108.7	S533 I537 V538 N541	S533-D535 PolarHBondContact O-N 3.26Å; D535-I537 PolarHBondContact O-N 2.63Å; D535-V538 PolarHBondContact O-N 2.71Å; D535-N541 PolarHBondContact O-ND2 3.35Å
536	S	42.1	Very low	63	Low	52 Å²	52	45 Å²	45	36%	0.364	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-13.2	176.6	-113.2	0	0	0	0	113.7	S534 R570	S534-S536 VanDerWaalsContact C-N 3.27Å; S534-S536 PolarHBondContact O-N 3Å; S536-R570 PolarHBondContact O-NH2 3.4Å
537	I	37.2	Very low	64.7	Low	153 Å²	153	45 Å²	45	79%	0.785	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-23.4	-174.7	-58.4	172.6	0	0	0	112.6	D535	D535-I537 PolarHBondContact O-N 2.63Å
538	V	49	Very low	65.9	Low	66 Å²	66	43.1 Å²	43.1	40%	0.4	25%	0.249	S	C	.	.			trans	-94.4	116.3	-179.1	-157.5	0	0	0	0	110.3	D535 T540 N541	D535-V538 PolarHBondContact O-N 2.71Å; V538-T540 HydrophobicContact CG1-CG2 3.95Å; V538-T540 WeakPolarHBondContact CG1-OG1 3.47Å; V538-T540 PolarHBondContact O-N 2.96Å; V538-N541 WeakPolarHBondContact O-CB 3.43Å; V538-N541 PolarHBondContact O-N 3.14Å
539	E	49.2	Very low	67.5	Low	188 Å²	188	43 Å²	43	88%	0.879	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-19.2	173.6	-68.8	-175.2	160.1	0	0	113.2	N541	E539-N541 PolarHBondContact O-N 3.11Å
540	T	55	Low	68.9	Low	41 Å²	41	43.6 Å²	43.6	25%	0.252	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0	177.7	67.5	0	0	0	0	114.9	S451 N452 V538	S451-T540 VanDerWaalsContact OG-CG2 3.22Å; S451-T540 WeakPolarHBondContact OG-CG2 3.4Å; N452-T540 PolarHBondContact ND2-O 2.92Å; V538-T540 HydrophobicContact CG1-CG2 3.95Å; V538-T540 WeakPolarHBondContact CG1-OG1 3.47Å; V538-T540 PolarHBondContact O-N 2.96Å
541	N	68.6	Low	70.3	Confident	11 Å²	11	41.7 Å²	41.7	6%	0.059	24%	0.241	C	C	.	.			trans	-96.2	120.2	-173.9	-72	-14.7	0	0	0	113	S533 D535 V538 E539 R570	S533-N541 PolarHBondContact OG-ND2 2.94Å; S533-N541 PolarHBondContact OG-OD1 2.98Å; D535-N541 PolarHBondContact O-ND2 3.35Å; V538-N541 WeakPolarHBondContact O-CB 3.43Å; V538-N541 PolarHBondContact O-N 3.14Å; E539-N541 PolarHBondContact O-N 3.11Å; N541-R570 VanDerWaalsContact O-CD 3.29Å; N541-R570 WeakPolarHBondContact O-CD 3.21Å; N541-R570 PolarHBondContact O-NE 3.09Å; N541-R570 VanDerWaalsContact O-NE 3.11Å
542	G	80.3	Confident	71.6	Confident	11 Å²	11	41.5 Å²	41.5	11%	0.113	24%	0.24	C	C	.	.	S	Bend	trans	139.1	178.5	175.9	0	0	0	0	0	112.7	N452	N452-G542 PolarHBondContact ND2-O 2.8Å
543	V	88.4	Confident	73.2	Confident	9 Å²	9	46.6 Å²	46.6	6%	0.055	25%	0.254	C	S	.	.			trans	-88.7	131.2	168	179.6	0	0	0	0	107.9	L456 F511 L531 W545 V546 T565	L456-V543 HydrophobicContact CB-CG1 3.88Å; L456-V543 HydrophobicContact CB-CG2 4.32Å; F511-V543 HydrophobicContact CE1-CG2 4.06Å; F511-V543 HydrophobicContact CZ-CG2 4.04Å; L531-V543 HydrophobicContact CB-CG2 3.72Å; L531-V543 HydrophobicContact CD1-CG2 3.2Å; L531-V543 HydrophobicContact CG-CG2 4.04Å; V543-W545 WeakPolarHBondContact CG1-O 3.31Å; V543-V546 HydrophobicContact CG1-CG2 4.04Å; V543-T565 PolarHBondContact O-OG1 3.35Å
544	S	89.8	Confident	75.2	Confident	27 Å²	27	47.8 Å²	47.8	19%	0.189	26%	0.26	C	S	.	.	S	Bend	trans	-85.6	-47.3	171.2	175.4	0	0	0	0	109.8	R454 T565 T573	R454-S544 PolarHBondContact O-N 2.86Å; S544-T565 PolarHBondContact O-OG1 2.88Å; S544-T573 PolarHBondContact O-N 3.03Å
545	W	93	Very high	77.3	Confident	25 Å²	25	42.5 Å²	42.5	10%	0.095	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	123.8	-174.1	-61.8	94.7	0	0	0	112.4	F438 R454 C455 L456 V543 T573 F603	F438-W545 HydrophobicContact CE1-CD2 4.42Å; F438-W545 HydrophobicContact CE1-CE3 4.5Å; F438-W545 HydrophobicContact CE1-CG 4.48Å; F438-W545 HydrophobicContact CE2-CE3 4.27Å; F438-W545 HydrophobicContact CE2-CZ3 4.16Å; F438-W545 AromaticContact CZ-CD2 3.71Å; F438-W545 HydrophobicContact CZ-CD2 3.71Å; F438-W545 AromaticContact CZ-CE3 3.54Å; F438-W545 HydrophobicContact CZ-CE3 3.54Å; F438-W545 HydrophobicContact CZ-CG 4.22Å; F438-W545 HydrophobicContact CZ-CH2 4.37Å; F438-W545 AromaticContact CZ-CZ3 3.87Å; F438-W545 HydrophobicContact CZ-CZ3 3.87Å; R454-W545 PolarHBondContact O-N 3.27Å; R454-W545 VanDerWaalsContact O-N 3.08Å; C455-W545 CarbonylContact C-O 3.56Å; C455-W545 VanDerWaalsContact CA-O 3.28Å; C455-W545 WeakPolarHBondContact CA-O 3.33Å; C455-W545 HydrophobicContact CB-CB 3.87Å; L456-W545 PolarHBondContact N-O 2.85Å; V543-W545 WeakPolarHBondContact CG1-O 3.31Å; W545-T573 WeakPolarHBondContact CA-O 3.39Å; W545-T573 HydrophobicContact CE3-CG2 3.85Å; W545-T573 HydrophobicContact CH2-CG2 4.27Å; W545-T573 HydrophobicContact CZ3-CG2 3.43Å; W545-T573 VanDerWaalsContact CZ3-CG2 3.43Å; W545-F603 AromaticContact CH2-CE2 3.96Å; W545-F603 HydrophobicContact CH2-CE2 3.96Å; W545-F603 HydrophobicContact CH2-CZ 4.37Å; W545-F603 HydrophobicContact CZ3-CE2 4Å
546	V	94.4	Very high	79.2	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.3	162.8	167.7	0	0	0	0	108.3	L456 F458 V543 R561 R564 T565 T573 S574 L575	L456-V546 HydrophobicContact CB-CG2 4.43Å; L456-V546 CarbonylContact O-C 3.59Å; L456-V546 WeakPolarHBondContact O-CA 3.35Å; F458-V546 HydrophobicContact CD2-CG1 3.93Å; F458-V546 HydrophobicContact CE2-CG1 4.08Å; V543-V546 HydrophobicContact CG1-CG2 4.04Å; V546-R561 WeakPolarHBondContact CG1-O 3.32Å; V546-R564 HydrophobicContact CG2-CB 3.92Å; V546-T565 HydrophobicContact CB-CG2 4.03Å; V546-T565 HydrophobicContact CG2-CG2 3.67Å; V546-T573 PolarHBondContact N-O 3.17Å; V546-S574 CarbonylContact O-C 3.47Å; V546-S574 WeakPolarHBondContact O-CA 3.47Å; V546-L575 PolarHBondContact O-N 3.38Å
547	I	96.7	Very high	81.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.5	174.3	-57.7	-180	0	0	0	108.9	L435 F438 C455 L456 I457 F458 F549 L575 F577	L435-I547 HydrophobicContact CD1-CD1 3.72Å; L435-I547 HydrophobicContact CD1-CG2 4.48Å; F438-I547 HydrophobicContact CD1-CD1 3.41Å; F438-I547 VanDerWaalsContact CD1-CD1 3.41Å; F438-I547 HydrophobicContact CE1-CD1 3.47Å; F438-I547 VanDerWaalsContact CE1-CD1 3.47Å; F438-I547 HydrophobicContact CE1-CG1 4.23Å; F438-I547 HydrophobicContact CG-CD1 4.33Å; F438-I547 HydrophobicContact CZ-CD1 4.42Å; C455-I547 WeakPolarHBondContact SG-CD1 3.45Å; L456-I547 PolarHBondContact O-N 3.01Å; I457-I547 CarbonylContact C-O 3.53Å; I457-I547 WeakPolarHBondContact CA-O 3.33Å; I457-I547 HydrophobicContact CB-CB 4.48Å; I457-I547 HydrophobicContact CG1-CB 4.22Å; I457-I547 HydrophobicContact CG1-CD1 4.16Å; I457-I547 HydrophobicContact CG1-CG1 4.49Å; I457-I547 HydrophobicContact CG2-CB 4.3Å; I457-I547 HydrophobicContact CG2-CG2 4.42Å; F458-I547 PolarHBondContact N-O 3.21Å; I547-F549 PolarHBondContact O-N 3.23Å; I547-L575 CarbonylContact C-O 3.55Å; I547-L575 WeakPolarHBondContact CA-O 3.33Å; I547-L575 HydrophobicContact CG1-CB 4.43Å; I547-F577 HydrophobicContact CG2-CD1 3.72Å; I547-F577 HydrophobicContact CG2-CE1 3.71Å; I547-F577 HydrophobicContact CG2-CG 4.33Å; I547-F577 HydrophobicContact CG2-CZ 4.3Å
548	H	96.9	Very high	83.9	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	89.8	164.4	-59.7	-108.6	0	0	0	107.8	P552 Y558 R561 S562 S574 L575 L576 F577	H548-P552 VanDerWaalsContact ND1-CG 3.27Å; H548-P552 WeakPolarHBondContact ND1-CG 3.28Å; H548-Y558 AromaticContact CE1-CD2 3.8Å; H548-R561 WeakPolarHBondContact CE1-CB 3.46Å; H548-R561 WeakPolarHBondContact ND1-CD 3.31Å; H548-S562 PolarHBondContact CE1-OG 3.34Å; H548-S562 PolarHBondContact NE2-OG 3.04Å; H548-S574 PolarHBondContact CD2-OG 3.08Å; H548-S574 PolarHBondContact NE2-OG 2.83Å; H548-S574 VanDerWaalsContact NE2-OG 3.11Å; H548-L575 PolarHBondContact N-O 3.05Å; H548-L576 HydrophobicContact CB-CD1 3.49Å; H548-L576 VanDerWaalsContact CB-CD1 3.49Å; H548-F577 PolarHBondContact O-N 3.41Å
549	F	97.7	Very high	85.7	Confident	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.133	C	C	.	.	S	Bend	trans	-65.3	-43.6	179.8	178	-86	0	0	0	110.7	K431 D432 L435 I457 F458 L459 L468 I547 F577	K431-F549 HydrophobicContact CB-CD2 4.41Å; K431-F549 HydrophobicContact CB-CE1 4.35Å; K431-F549 HydrophobicContact CB-CE2 3.56Å; K431-F549 HydrophobicContact CB-CZ 3.5Å; K431-F549 HydrophobicContact CD-CE1 4.14Å; K431-F549 HydrophobicContact CD-CE2 4.47Å; K431-F549 HydrophobicContact CD-CZ 4.1Å; K431-F549 WeakPolarHBondContact CD-O 3.31Å; K431-F549 HydrophobicContact CG-CZ 4.5Å; K431-F549 PolarHBondContact NZ-O 3.01Å; D432-F549 WeakPolarHBondContact OD1-CZ 3.29Å; L435-F549 HydrophobicContact CB-CD2 4.41Å; L435-F549 HydrophobicContact CB-CE2 4.29Å; L435-F549 HydrophobicContact CD2-CD2 3.92Å; L435-F549 HydrophobicContact CD2-CE2 4.1Å; I457-F549 HydrophobicContact CG2-CB 3.9Å; F458-F549 WeakPolarHBondContact O-CB 3.23Å; F458-F549 PolarHBondContact O-N 3.12Å; L459-F549 HydrophobicContact CD1-CB 4.27Å; L459-F549 HydrophobicContact CD2-CD1 3.63Å; L459-F549 HydrophobicContact CD2-CE1 4.06Å; L459-F549 HydrophobicContact CD2-CG 4.32Å; L459-F549 HydrophobicContact CG-CB 4.06Å; L459-F549 HydrophobicContact CG-CD1 3.81Å; L459-F549 HydrophobicContact CG-CG 4.18Å; L468-F549 HydrophobicContact CD2-CD1 4.5Å; L468-F549 HydrophobicContact CD2-CD2 4.05Å; L468-F549 HydrophobicContact CD2-CE2 4.11Å; L468-F549 HydrophobicContact CD2-CG 4.24Å; L468-F549 HydrophobicContact CD2-CZ 4.4Å; I547-F549 PolarHBondContact O-N 3.23Å; F549-F577 HydrophobicContact CD2-CD2 4.29Å
550	D	96.1	Very high	87.4	Confident	15 Å²	15	18.4 Å²	18.4	8%	0.08	9%	0.094	C	C	.	.	S	Bend	trans	-102.7	136.4	166.2	-61.4	-41.3	0	0	0	109.6	Q428 F458 N460 R561	Q428-D550 PolarHBondContact NE2-OD1 2.64Å; F458-D550 PolarHBondContact O-N 3.04Å; N460-D550 HydrophobicContact CB-CB 4.05Å; N460-D550 PolarHBondContact N-OD2 2.86Å; N460-D550 WeakPolarHBondContact ND2-CB 3.45Å; D550-R561 PolarHBondContact O-NH1 3.01Å
551	V	94.8	Very high	89	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.006	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-59.4	128.9	176.4	-178.6	0	0	0	0	109.2	N460 L576 I578 E582 F585 W586 I589	N460-V551 PolarHBondContact ND2-O 3.47Å; V551-L576 HydrophobicContact CB-CD1 4.37Å; V551-L576 HydrophobicContact CG1-CD1 4.39Å; V551-L576 HydrophobicContact CG2-CD1 3.99Å; V551-L576 HydrophobicContact CG2-CG 4.47Å; V551-I578 HydrophobicContact CG2-CB 4.37Å; V551-I578 HydrophobicContact CG2-CG1 4.13Å; V551-E582 HydrophobicContact CB-CB 4.17Å; V551-E582 HydrophobicContact CG2-CB 3.64Å; V551-E582 HydrophobicContact CG2-CG 4.32Å; V551-E582 PolarHBondContact N-OE1 2.99Å; V551-F585 HydrophobicContact CG1-CB 3.95Å; V551-W586 HydrophobicContact CG1-CB 4.22Å; V551-I589 HydrophobicContact CG1-CD1 4.29Å
552	P	92.8	Very high	90	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	P	Polyproline II helix	trans	-56.2	155.7	177.8	-23.9	33.3	0	0	0	111.9	H548 L557 Y558 I589	H548-P552 VanDerWaalsContact ND1-CG 3.27Å; H548-P552 WeakPolarHBondContact ND1-CG 3.28Å; P552-L557 HydrophobicContact CB-CB 4.15Å; P552-L557 HydrophobicContact CB-CD2 4.07Å; P552-L557 HydrophobicContact CB-CG 4.12Å; P552-Y558 HydrophobicContact CG-CD2 4.05Å; P552-I589 HydrophobicContact CB-CD1 3.9Å; P552-I589 HydrophobicContact CG-CD1 4.47Å; P552-I589 WeakPolarHBondContact O-CD1 3.44Å
553	R	88.3	Confident	90.2	Very high	131 Å²	131	15.5 Å²	15.5	49%	0.494	7%	0.074	S	C	.	.	S	Bend	trans	-85.5	-24.1	-180	-61.4	-59.2	-171	-178.8	-0.3	113.8	F585	R553-F585 VanDerWaalsContact NH1-CE1 3.27Å
554	T	85.6	Confident	90.1	Very high	57 Å²	57	15.4 Å²	15.4	35%	0.35	7%	0.073	S	C	.	.	S	Bend	trans	-137.5	159.1	-178.9	82.3	0	0	0	0	110.7	E556 L557 Y558	T554-E556 VanDerWaalsContact C-N 3.3Å; T554-E556 WeakPolarHBondContact CB-OE2 3.03Å; T554-E556 PolarHBondContact O-N 2.87Å; T554-E556 PolarHBondContact OG1-OE2 3.45Å; T554-L557 PolarHBondContact O-N 3.4Å; T554-L557 PolarHBondContact OG1-N 2.94Å; T554-Y558 PolarHBondContact O-N 3.46Å; T554-Y558 VanDerWaalsContact O-N 3.16Å
555	A	85.2	Confident	90	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.008	6%	0.064	C	C	.	.	H	α-helix	trans	-66	-33.7	179.5	0	0	0	0	0	112.2	F344 L557 Y558 I559 I589 L593	F344-A555 HydrophobicContact CE1-CB 3.8Å; F344-A555 HydrophobicContact CZ-CB 4.03Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 3.45Å; A555-Y558 WeakPolarHBondContact O-CB 3.34Å; A555-Y558 PolarHBondContact O-N 2.92Å; A555-I559 WeakPolarHBondContact O-CG1 3.21Å; A555-I559 PolarHBondContact O-N 3.38Å; A555-I589 HydrophobicContact CB-CG2 4.33Å; A555-L593 HydrophobicContact CB-CD2 3.99Å; A555-L593 HydrophobicContact CB-CG 4.01Å
556	E	82.7	Confident	89.6	Confident	26 Å²	26	13.2 Å²	13.2	12%	0.121	6%	0.062	C	C	.	.	H	α-helix	trans	-67.6	-39.1	177.1	-49.7	90.6	154.5	0	0	111.3	T341 F344 H346 T554 Y558 I559 H560	T341-E556 HydrophobicContact CG2-CB 4.16Å; T341-E556 HydrophobicContact CG2-CG 4.39Å; F344-E556 HydrophobicContact CD1-CG 4.01Å; F344-E556 HydrophobicContact CE1-CG 4.44Å; H346-E556 IonicContact CD2-OE1 3.22Å; H346-E556 IonicContact NE2-OE1 2.69Å; H346-E556 PolarHBondContact NE2-OE1 3Å; H346-E556 IonicContact NE2-OE2 2.93Å; T554-E556 VanDerWaalsContact C-N 3.3Å; T554-E556 WeakPolarHBondContact CB-OE2 3.03Å; T554-E556 PolarHBondContact O-N 2.87Å; T554-E556 PolarHBondContact OG1-OE2 3.45Å; E556-Y558 VanDerWaalsContact C-N 3.27Å; E556-Y558 PolarHBondContact O-N 3.49Å; E556-I559 PolarHBondContact O-N 3.18Å; E556-H560 WeakPolarHBondContact O-CB 3.27Å; E556-H560 PolarHBondContact O-CD2 2.8Å; E556-H560 PolarHBondContact O-N 3.28Å
557	L	86.9	Confident	88.8	Confident	17 Å²	17	14.8 Å²	14.8	9%	0.089	7%	0.068	C	C	.	.	H	α-helix	trans	-63.6	-38.2	175.5	-172.9	62	0	0	0	111.5	D523 P552 T554 A555 H560 R561	D523-L557 HydrophobicContact CB-CD1 4Å; D523-L557 WeakPolarHBondContact OD1-CD1 3.37Å; D523-L557 WeakPolarHBondContact OD2-CD2 3.12Å; P552-L557 HydrophobicContact CB-CB 4.15Å; P552-L557 HydrophobicContact CB-CD2 4.07Å; P552-L557 HydrophobicContact CB-CG 4.12Å; T554-L557 PolarHBondContact O-N 3.4Å; T554-L557 PolarHBondContact OG1-N 2.94Å; A555-L557 VanDerWaalsContact C-N 3.34Å; A555-L557 PolarHBondContact O-N 3.45Å; L557-H560 PolarHBondContact O-N 3.41Å; L557-R561 HydrophobicContact CD1-CG 4.44Å; L557-R561 HydrophobicContact CG-CG 4.46Å; L557-R561 WeakPolarHBondContact O-CB 3.28Å; L557-R561 VanDerWaalsContact O-CG 3.29Å; L557-R561 WeakPolarHBondContact O-CG 3.34Å; L557-R561 PolarHBondContact O-N 3.1Å
558	Y	90	Very high	87.6	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.9	-53	173.5	177.5	-89.4	0	0	0	111.6	E420 H548 P552 T554 A555 E556 H560 R561 S562 W586 I589 L593	E420-Y558 VanDerWaalsContact CD-OH 3.22Å; E420-Y558 WeakPolarHBondContact OE1-CE1 3.47Å; E420-Y558 VanDerWaalsContact OE1-CZ 3.23Å; E420-Y558 PolarHBondContact OE1-OH 3.18Å; H548-Y558 AromaticContact CE1-CD2 3.8Å; P552-Y558 HydrophobicContact CG-CD2 4.05Å; T554-Y558 PolarHBondContact O-N 3.46Å; T554-Y558 VanDerWaalsContact O-N 3.16Å; A555-Y558 WeakPolarHBondContact O-CB 3.34Å; A555-Y558 PolarHBondContact O-N 2.92Å; E556-Y558 VanDerWaalsContact C-N 3.27Å; E556-Y558 PolarHBondContact O-N 3.49Å; Y558-H560 VanDerWaalsContact C-N 3.3Å; Y558-H560 PolarHBondContact O-N 3.31Å; Y558-R561 PolarHBondContact O-N 3.08Å; Y558-S562 WeakPolarHBondContact O-CB 3.47Å; Y558-S562 PolarHBondContact O-N 2.86Å; Y558-S562 PolarHBondContact O-OG 3.03Å; Y558-S562 VanDerWaalsContact O-OG 3.09Å; Y558-W586 HydrophobicContact CD2-CZ3 4.02Å; Y558-W586 HydrophobicContact CE2-CH2 4.3Å; Y558-W586 AromaticContact CE2-CZ3 3.62Å; Y558-W586 HydrophobicContact CE2-CZ3 3.62Å; Y558-I589 HydrophobicContact CD1-CG2 4.45Å; Y558-I589 HydrophobicContact CD2-CG2 4.45Å; Y558-I589 HydrophobicContact CG-CG2 4.06Å; Y558-L593 HydrophobicContact CD1-CD1 3.71Å; Y558-L593 HydrophobicContact CE1-CD1 3.96Å
559	I	86.3	Confident	86.4	Confident	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-54.6	-47.2	177.4	-67.5	162.1	0	0	0	110.7	T341 F344 T413 A555 E556 R561 G563 L593	T341-I559 HydrophobicContact CG2-CB 4.2Å; T341-I559 HydrophobicContact CG2-CD1 3.9Å; T341-I559 HydrophobicContact CG2-CG2 3.94Å; F344-I559 HydrophobicContact CZ-CD1 4.49Å; T413-I559 HydrophobicContact CG2-CD1 4.06Å; T413-I559 HydrophobicContact CG2-CG2 4.04Å; A555-I559 WeakPolarHBondContact O-CG1 3.21Å; A555-I559 PolarHBondContact O-N 3.38Å; E556-I559 PolarHBondContact O-N 3.18Å; I559-R561 PolarHBondContact O-N 2.94Å; I559-G563 PolarHBondContact O-N 3.33Å; I559-L593 HydrophobicContact CD1-CD2 3.72Å; I559-L593 HydrophobicContact CG1-CD2 3.9Å
560	H	85.1	Confident	85.4	Confident	12 Å²	12	27.8 Å²	27.8	6%	0.056	14%	0.142	C	C	.	.	H	α-helix	trans	-66.5	-35	-177.1	-85	-64.9	0	0	0	114.3	E265 D267 R268 E556 L557 Y558 R564	E265-H560 IonicContact OE2-CE1 2.7Å; E265-H560 PolarHBondContact OE2-CE1 3.25Å; E265-H560 VanDerWaalsContact OE2-CE1 3.27Å; D267-H560 IonicContact OD2-CD2 3.64Å; D267-H560 IonicContact OD2-CE1 3.47Å; D267-H560 IonicContact OD2-NE2 3.15Å; D267-H560 PolarHBondContact OD2-NE2 2.7Å; R268-H560 PolarHBondContact NH2-CD2 2.97Å; R268-H560 PolarHBondContact NH2-NE2 3.26Å; E556-H560 WeakPolarHBondContact O-CB 3.27Å; E556-H560 PolarHBondContact O-CD2 2.8Å; E556-H560 PolarHBondContact O-N 3.28Å; L557-H560 PolarHBondContact O-N 3.41Å; Y558-H560 VanDerWaalsContact C-N 3.3Å; Y558-H560 PolarHBondContact O-N 3.31Å; H560-R564 WeakPolarHBondContact O-CG 3.32Å; H560-R564 PolarHBondContact O-NE 2.85Å
561	R	90.1	Very high	84.8	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-74.1	-52.2	176.3	-76.1	-179.9	178.5	-172.7	1.5	110.7	F458 N460 D523 V546 H548 D550 L557 Y558 I559 G563 R564	F458-R561 HydrophobicContact CB-CG 4.32Å; F458-R561 HydrophobicContact CD1-CG 3.72Å; F458-R561 HydrophobicContact CD2-CB 3.87Å; F458-R561 HydrophobicContact CD2-CG 3.81Å; F458-R561 HydrophobicContact CE1-CG 3.76Å; F458-R561 HydrophobicContact CE2-CB 3.83Å; F458-R561 HydrophobicContact CE2-CG 3.9Å; F458-R561 HydrophobicContact CG-CB 4.27Å; F458-R561 HydrophobicContact CG-CG 3.7Å; F458-R561 HydrophobicContact CZ-CB 4.18Å; F458-R561 HydrophobicContact CZ-CG 3.87Å; N460-R561 PolarHBondContact OD1-NH2 2.75Å; D523-R561 IonicContact OD1-CZ 3.94Å; D523-R561 IonicContact OD1-NE 2.73Å; D523-R561 PolarHBondContact OD1-NE 3.35Å; D523-R561 IonicContact OD1-NH2 3.5Å; D523-R561 PolarHBondContact OD1-NH2 2.93Å; D523-R561 IonicContact OD2-NH2 2.91Å; D523-R561 PolarHBondContact OD2-NH2 3.13Å; V546-R561 WeakPolarHBondContact CG1-O 3.32Å; H548-R561 WeakPolarHBondContact CE1-CB 3.46Å; H548-R561 WeakPolarHBondContact ND1-CD 3.31Å; D550-R561 PolarHBondContact O-NH1 3.01Å; L557-R561 HydrophobicContact CD1-CG 4.44Å; L557-R561 HydrophobicContact CG-CG 4.46Å; L557-R561 WeakPolarHBondContact O-CB 3.28Å; L557-R561 VanDerWaalsContact O-CG 3.29Å; L557-R561 WeakPolarHBondContact O-CG 3.34Å; L557-R561 PolarHBondContact O-N 3.1Å; Y558-R561 PolarHBondContact O-N 3.08Å; I559-R561 PolarHBondContact O-N 2.94Å; R561-G563 VanDerWaalsContact C-N 3.26Å; R561-G563 PolarHBondContact O-N 3.06Å; R561-R564 WeakPolarHBondContact O-CB 3.45Å; R561-R564 WeakPolarHBondContact O-CG 3.22Å; R561-R564 PolarHBondContact O-N 2.81Å; R561-R564 VanDerWaalsContact O-N 3.12Å
562	S	89.4	Confident	84.4	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60	-38.8	-179.8	-57.8	0	0	0	0	111.5	H548 Y558 R564 T565 S574	H548-S562 PolarHBondContact CE1-OG 3.34Å; H548-S562 PolarHBondContact NE2-OG 3.04Å; Y558-S562 WeakPolarHBondContact O-CB 3.47Å; Y558-S562 PolarHBondContact O-N 2.86Å; Y558-S562 PolarHBondContact O-OG 3.03Å; Y558-S562 VanDerWaalsContact O-OG 3.09Å; S562-R564 PolarHBondContact O-N 2.77Å; S562-T565 WeakPolarHBondContact O-CG2 3.33Å; S562-T565 PolarHBondContact O-N 2.96Å; S562-S574 PolarHBondContact OG-OG 3.12Å; S562-S574 VanDerWaalsContact OG-OG 3.08Å
563	G	84.3	Confident	84.3	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	12.5	176.5	0	0	0	0	0	116.7	T65 I559 R561 R567	T65-G563 WeakPolarHBondContact OG1-CA 3.36Å; T65-G563 PolarHBondContact OG1-O 2.78Å; I559-G563 PolarHBondContact O-N 3.33Å; R561-G563 VanDerWaalsContact C-N 3.26Å; R561-G563 PolarHBondContact O-N 3.06Å; G563-R567 PolarHBondContact O-NE 3.44Å; G563-R567 PolarHBondContact O-NH2 2.93Å
564	R	86.2	Confident	84.6	Confident	8 Å²	8	29 Å²	29	3%	0.03	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-19.8	167.7	-58.4	-66.2	139	-173.1	-1.8	112.6	E265 L456 F458 L529 V546 H560 R561 S562	E265-R564 IonicContact OE1-NH2 2.68Å; L456-R564 HydrophobicContact CD2-CB 3.6Å; L456-R564 HydrophobicContact CD2-CG 3.84Å; F458-R564 HydrophobicContact CE2-CG 4Å; F458-R564 HydrophobicContact CZ-CG 3.88Å; L529-R564 PolarHBondContact O-NH1 3.01Å; L529-R564 VanDerWaalsContact O-NH1 3.07Å; V546-R564 HydrophobicContact CG2-CB 3.92Å; H560-R564 WeakPolarHBondContact O-CG 3.32Å; H560-R564 PolarHBondContact O-NE 2.85Å; R561-R564 WeakPolarHBondContact O-CB 3.45Å; R561-R564 WeakPolarHBondContact O-CG 3.22Å; R561-R564 PolarHBondContact O-N 2.81Å; R561-R564 VanDerWaalsContact O-N 3.12Å; S562-R564 PolarHBondContact O-N 2.77Å
565	T	88.2	Confident	85	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.006	14%	0.139	C	C	.	.	S	Bend	trans	-105.1	178.7	167.1	-172.6	0	0	0	0	109.6	L418 V543 S544 V546 S562 R567 G572	L418-T565 HydrophobicContact CD1-CG2 3.43Å; L418-T565 VanDerWaalsContact CD1-CG2 3.43Å; V543-T565 PolarHBondContact O-OG1 3.35Å; S544-T565 PolarHBondContact O-OG1 2.88Å; V546-T565 HydrophobicContact CB-CG2 4.03Å; V546-T565 HydrophobicContact CG2-CG2 3.67Å; S562-T565 WeakPolarHBondContact O-CG2 3.33Å; S562-T565 PolarHBondContact O-N 2.96Å; T565-R567 PolarHBondContact O-N 3.31Å; T565-G572 WeakPolarHBondContact OG1-CA 3.46Å
566	A	83	Confident	85.5	Confident	5 Å²	5	26.3 Å²	26.3	4%	0.041	14%	0.139	C	C	.	.	S	Bend	trans	56.3	45.1	178.7	0	0	0	0	0	114.4	P415 L418 R570	P415-A566 HydrophobicContact CB-CB 4.14Å; P415-A566 WeakPolarHBondContact CB-O 3.33Å; P415-A566 HydrophobicContact CG-CB 4.38Å; L418-A566 HydrophobicContact CB-CB 3.85Å; L418-A566 HydrophobicContact CD1-CB 3.92Å; A566-R570 CarbonylContact C-O 3.52Å; A566-R570 VanDerWaalsContact CA-O 3.23Å; A566-R570 WeakPolarHBondContact CA-O 3.39Å
567	R	77.7	Confident	86.2	Confident	33 Å²	33	25.1 Å²	25.1	13%	0.125	13%	0.133	C	C	.	.			trans	-99.9	150.3	179.8	-65	-170.6	171.7	-174.5	0.4	112	L529 D530 G563 T565 N569 R570	L529-R567 PolarHBondContact O-NH1 2.85Å; L529-R567 PolarHBondContact O-NH2 2.8Å; D530-R567 VanDerWaalsContact CA-NH1 3.33Å; D530-R567 IonicContact OD1-CZ 3.12Å; D530-R567 IonicContact OD1-NH1 3.83Å; D530-R567 PolarHBondContact OD1-NH1 3.34Å; G563-R567 PolarHBondContact O-NE 3.44Å; G563-R567 PolarHBondContact O-NH2 2.93Å; T565-R567 PolarHBondContact O-N 3.31Å; R567-N569 VanDerWaalsContact C-N 3.31Å; R567-N569 PolarHBondContact O-N 3.43Å; R567-R570 VanDerWaalsContact O-CB 3.29Å; R567-R570 WeakPolarHBondContact O-CB 3.27Å; R567-R570 WeakPolarHBondContact O-CG 3.4Å; R567-R570 PolarHBondContact O-N 2.9Å; R567-R570 VanDerWaalsContact O-N 3.09Å
568	A	71.7	Confident	86.5	Confident	65 Å²	65	24.6 Å²	24.6	54%	0.537	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	50.4	179.8	0	0	0	0	0	112.1	R570	A568-R570 PolarHBondContact O-N 2.91Å
569	N	71.6	Confident	86.7	Confident	151 Å²	151	24.8 Å²	24.8	81%	0.807	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	9.4	-178.3	-59.8	-16.8	0	0	0	116.1	R567	R567-N569 VanDerWaalsContact C-N 3.31Å; R567-N569 PolarHBondContact O-N 3.43Å
570	R	77.3	Confident	87	Confident	57 Å²	57	28.3 Å²	28.3	22%	0.215	16%	0.155	C	C	.	.			trans	-70.4	150.8	171.2	-63	-175.9	179.4	90.5	-2.3	110.4	T417 S536 N541 A566 R567 A568	T417-R570 VanDerWaalsContact CB-O 3.31Å; T417-R570 WeakPolarHBondContact CB-O 3.21Å; T417-R570 PolarHBondContact OG1-O 3.42Å; S536-R570 PolarHBondContact O-NH2 3.4Å; N541-R570 VanDerWaalsContact O-CD 3.29Å; N541-R570 WeakPolarHBondContact O-CD 3.21Å; N541-R570 PolarHBondContact O-NE 3.09Å; N541-R570 VanDerWaalsContact O-NE 3.11Å; A566-R570 CarbonylContact C-O 3.52Å; A566-R570 VanDerWaalsContact CA-O 3.23Å; A566-R570 WeakPolarHBondContact CA-O 3.39Å; R567-R570 VanDerWaalsContact O-CB 3.29Å; R567-R570 WeakPolarHBondContact O-CB 3.27Å; R567-R570 WeakPolarHBondContact O-CG 3.4Å; R567-R570 PolarHBondContact O-N 2.9Å; R567-R570 VanDerWaalsContact O-N 3.09Å; A568-R570 PolarHBondContact O-N 2.91Å
571	Q	83	Confident	87.3	Confident	143 Å²	143	34.3 Å²	34.3	67%	0.668	19%	0.187	S	C	*	.			trans	-72.5	148.5	168.9	-67.1	-172.9	-5.4	0	0	110.6
572	G	87.6	Confident	87.5	Confident	3 Å²	3	35.1 Å²	35.1	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	146.1	179.6	0	0	0	0	0	111.6	T417 L418 S419 T565	T417-G572 PolarHBondContact O-N 2.91Å; L418-G572 WeakPolarHBondContact CA-O 3.38Å; S419-G572 PolarHBondContact N-O 3.01Å; T565-G572 WeakPolarHBondContact OG1-CA 3.46Å
573	T	90.8	Very high	87.5	Confident	27 Å²	27	38 Å²	38	17%	0.166	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	126.9	-179.5	-52	0	0	0	0	111	S419 S544 W545 V546	S419-T573 CarbonylContact O-C 3.55Å; S419-T573 VanDerWaalsContact O-CA 3.31Å; S419-T573 WeakPolarHBondContact O-CA 3.33Å; S544-T573 PolarHBondContact O-N 3.03Å; W545-T573 WeakPolarHBondContact CA-O 3.39Å; W545-T573 HydrophobicContact CE3-CG2 3.85Å; W545-T573 HydrophobicContact CH2-CG2 4.27Å; W545-T573 HydrophobicContact CZ3-CG2 3.43Å; W545-T573 VanDerWaalsContact CZ3-CG2 3.43Å; V546-T573 PolarHBondContact N-O 3.17Å
574	S	93.5	Very high	87.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.4	171.4	172.2	0	0	0	0	109.8	S419 E420 C421 V546 H548 S562	S419-S574 PolarHBondContact O-N 3.26Å; E420-S574 WeakPolarHBondContact CA-O 3.37Å; C421-S574 PolarHBondContact N-O 3.49Å; V546-S574 CarbonylContact O-C 3.47Å; V546-S574 WeakPolarHBondContact O-CA 3.47Å; H548-S574 PolarHBondContact CD2-OG 3.08Å; H548-S574 PolarHBondContact NE2-OG 2.83Å; H548-S574 VanDerWaalsContact NE2-OG 3.11Å; S562-S574 PolarHBondContact OG-OG 3.12Å; S562-S574 VanDerWaalsContact OG-OG 3.08Å
575	L	95.2	Very high	88	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.8	-178.6	-176.5	59.6	0	0	0	110.8	C421 L423 F438 V546 I547 H548 F577 F603	C421-L575 WeakPolarHBondContact O-CA 3.35Å; C421-L575 VanDerWaalsContact SG-CD1 3.55Å; L423-L575 HydrophobicContact CB-CD1 3.98Å; L423-L575 HydrophobicContact CB-CG 4.47Å; F438-L575 HydrophobicContact CD2-CD2 3.64Å; F438-L575 HydrophobicContact CE1-CD2 4.5Å; F438-L575 HydrophobicContact CE2-CD2 3.42Å; F438-L575 VanDerWaalsContact CE2-CD2 3.42Å; F438-L575 HydrophobicContact CG-CD2 4.28Å; F438-L575 HydrophobicContact CZ-CD2 3.89Å; V546-L575 PolarHBondContact O-N 3.38Å; I547-L575 CarbonylContact C-O 3.55Å; I547-L575 WeakPolarHBondContact CA-O 3.33Å; I547-L575 HydrophobicContact CG1-CB 4.43Å; H548-L575 PolarHBondContact N-O 3.05Å; L575-F577 HydrophobicContact CD2-CD1 4.43Å; L575-F577 HydrophobicContact CD2-CE1 3.67Å; L575-F577 HydrophobicContact CG-CD1 4.15Å; L575-F577 HydrophobicContact CG-CE1 3.89Å; L575-F603 HydrophobicContact CD1-CB 3.95Å; L575-F603 HydrophobicContact CD1-CD2 4.2Å; L575-F603 HydrophobicContact CD1-CG 4.13Å
576	L	95.7	Very high	88.2	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	118.4	178.6	-178.2	66.9	0	0	0	111.4	C421 R422 L423 H548 V551 W586 L600	C421-L576 PolarHBondContact O-N 3.05Å; R422-L576 CarbonylContact C-O 3.58Å; R422-L576 WeakPolarHBondContact CA-O 3.5Å; L423-L576 PolarHBondContact N-O 3.37Å; H548-L576 HydrophobicContact CB-CD1 3.49Å; H548-L576 VanDerWaalsContact CB-CD1 3.49Å; V551-L576 HydrophobicContact CB-CD1 4.37Å; V551-L576 HydrophobicContact CG1-CD1 4.39Å; V551-L576 HydrophobicContact CG2-CD1 3.99Å; V551-L576 HydrophobicContact CG2-CG 4.47Å; L576-W586 HydrophobicContact CD2-CD2 3.74Å; L576-W586 HydrophobicContact CD2-CE3 3.36Å; L576-W586 HydrophobicContact CD2-CG 4.24Å; L576-W586 HydrophobicContact CD2-CZ3 3.87Å; L576-L600 HydrophobicContact CB-CD1 4.01Å; L576-L600 HydrophobicContact CD2-CD1 3.73Å
577	F	97.1	Very high	88.5	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.5	171.1	-79.6	36.1	0	0	0	108.9	L423 K431 R434 L435 F438 I547 H548 F549 L575	L423-F577 HydrophobicContact CB-CD1 4.18Å; L423-F577 HydrophobicContact CB-CE1 4.25Å; L423-F577 HydrophobicContact CD1-CE1 4.46Å; L423-F577 HydrophobicContact CD2-CE1 4.32Å; L423-F577 HydrophobicContact CD2-CE2 4.39Å; L423-F577 HydrophobicContact CD2-CZ 4.26Å; K431-F577 HydrophobicContact CB-CD2 4.34Å; R434-F577 HydrophobicContact CB-CE2 3.94Å; L435-F577 HydrophobicContact CB-CE2 3.86Å; L435-F577 HydrophobicContact CB-CZ 4.39Å; L435-F577 HydrophobicContact CD1-CE2 4.31Å; L435-F577 HydrophobicContact CD1-CZ 4.2Å; F438-F577 HydrophobicContact CB-CZ 4.35Å; I547-F577 HydrophobicContact CG2-CD1 3.72Å; I547-F577 HydrophobicContact CG2-CE1 3.71Å; I547-F577 HydrophobicContact CG2-CG 4.33Å; I547-F577 HydrophobicContact CG2-CZ 4.3Å; H548-F577 PolarHBondContact O-N 3.41Å; F549-F577 HydrophobicContact CD2-CD2 4.29Å; L575-F577 HydrophobicContact CD2-CD1 4.43Å; L575-F577 HydrophobicContact CD2-CE1 3.67Å; L575-F577 HydrophobicContact CG-CD1 4.15Å; L575-F577 HydrophobicContact CG-CE1 3.89Å
578	I	93.7	Very high	89	Confident	7 Å²	7	57.6 Å²	57.6	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	123.1	-173.3	-168.2	168.9	0	0	0	111.1	L423 L424 C425 V551 E582 I583 W586	L423-I578 PolarHBondContact O-N 2.93Å; L423-I578 VanDerWaalsContact O-N 3.15Å; L424-I578 HydrophobicContact CD2-CG2 3.45Å; L424-I578 VanDerWaalsContact CD2-CG2 3.45Å; C425-I578 WeakPolarHBondContact CB-O 3.34Å; C425-I578 PolarHBondContact N-O 3.12Å; V551-I578 HydrophobicContact CG2-CB 4.37Å; V551-I578 HydrophobicContact CG2-CG1 4.13Å; I578-E582 HydrophobicContact CG1-CB 4.49Å; I578-I583 HydrophobicContact CD1-CG1 4.1Å; I578-I583 HydrophobicContact CG1-CG1 4.19Å; I578-W586 HydrophobicContact CD1-CB 3.61Å; I578-W586 HydrophobicContact CD1-CG 3.97Å
579	S	93.8	Very high	89.8	Confident	4 Å²	4	54.6 Å²	54.6	3%	0.028	27%	0.265	C	S	.	.			trans	-97.6	160.1	169.9	68.7	0	0	0	0	111.3	C425 N581 E582 I583	C425-S579 VanDerWaalsContact O-CA 3.32Å; C425-S579 WeakPolarHBondContact O-CA 3.11Å; S579-N581 PolarHBondContact O-N 2.86Å; S579-N581 VanDerWaalsContact O-N 3.1Å; S579-E582 WeakPolarHBondContact CB-OE2 3.35Å; S579-E582 PolarHBondContact N-OE2 2.97Å; S579-E582 PolarHBondContact O-N 3.16Å; S579-E582 PolarHBondContact OG-OE2 3.41Å; S579-I583 PolarHBondContact O-N 3Å
580	P	91.6	Very high	90.6	Very high	75 Å²	75	47.4 Å²	47.4	49%	0.487	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-50.4	-38.5	179.5	-30.6	35	0	0	0	113.8	C425 P426 E582 I583	C425-P580 VanDerWaalsContact O-CD 3.25Å; C425-P580 WeakPolarHBondContact O-CD 3.35Å; P426-P580 WeakPolarHBondContact O-CD 3.5Å; P580-E582 PolarHBondContact O-N 3.05Å; P580-I583 PolarHBondContact O-N 3.5Å
581	N	92.9	Very high	91	Very high	138 Å²	138	49 Å²	49	74%	0.738	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-72.4	-11.9	-178.7	-64.3	-11.4	0	0	0	113.7	S579	S579-N581 PolarHBondContact O-N 2.86Å; S579-N581 VanDerWaalsContact O-N 3.1Å
582	E	92.6	Very high	91.1	Very high	18 Å²	18	42.8 Å²	42.8	8%	0.084	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-107.6	-3.9	-179.5	-62.9	165.7	121.2	0	0	114	K431 V551 I578 S579 P580 T584 F585 W586	K431-E582 WeakPolarHBondContact CE-OE2 3.4Å; K431-E582 IonicContact NZ-OE1 3.5Å; K431-E582 PolarHBondContact NZ-OE1 3.47Å; K431-E582 IonicContact NZ-OE2 2.75Å; K431-E582 PolarHBondContact NZ-OE2 3.32Å; V551-E582 HydrophobicContact CB-CB 4.17Å; V551-E582 HydrophobicContact CG2-CB 3.64Å; V551-E582 HydrophobicContact CG2-CG 4.32Å; V551-E582 PolarHBondContact N-OE1 2.99Å; I578-E582 HydrophobicContact CG1-CB 4.49Å; S579-E582 WeakPolarHBondContact CB-OE2 3.35Å; S579-E582 PolarHBondContact N-OE2 2.97Å; S579-E582 PolarHBondContact O-N 3.16Å; S579-E582 PolarHBondContact OG-OE2 3.41Å; P580-E582 PolarHBondContact O-N 3.05Å; E582-T584 PolarHBondContact O-N 3.15Å; E582-T584 VanDerWaalsContact O-N 3.17Å; E582-F585 HydrophobicContact CB-CD2 4.06Å; E582-F585 HydrophobicContact CG-CD2 4.19Å; E582-F585 WeakPolarHBondContact O-CB 3.19Å; E582-F585 PolarHBondContact O-N 3.13Å; E582-W586 PolarHBondContact O-N 3.33Å; E582-W586 VanDerWaalsContact O-N 3.13Å
583	I	90.6	Very high	90.9	Very high	62 Å²	62	43.3 Å²	43.3	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-54.4	-37.2	178.4	-66.2	174.8	0	0	0	111.2	I578 S579 P580 F585 W586 R587	I578-I583 HydrophobicContact CD1-CG1 4.1Å; I578-I583 HydrophobicContact CG1-CG1 4.19Å; S579-I583 PolarHBondContact O-N 3Å; P580-I583 PolarHBondContact O-N 3.5Å; I583-F585 PolarHBondContact O-N 3.33Å; I583-W586 PolarHBondContact O-N 3.48Å; I583-R587 HydrophobicContact CG2-CG 4.29Å; I583-R587 WeakPolarHBondContact O-CG 3.44Å; I583-R587 PolarHBondContact O-N 2.92Å
584	T	90.5	Very high	90.4	Very high	87 Å²	87	46.8 Å²	46.8	53%	0.534	23%	0.232	S	C	.	.	H	α-helix	trans	-65.5	-37	178	56.5	0	0	0	0	112.9	E582 R588	E582-T584 PolarHBondContact O-N 3.15Å; E582-T584 VanDerWaalsContact O-N 3.17Å; T584-R588 PolarHBondContact O-N 2.98Å; T584-R588 VanDerWaalsContact O-N 3.15Å
585	F	91.1	Very high	89.6	Confident	62 Å²	62	49.3 Å²	49.3	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-67.3	-43	175.1	-58	-58.7	0	0	0	110.8	V551 R553 E582 I583 R588 I589	V551-F585 HydrophobicContact CG1-CB 3.95Å; R553-F585 VanDerWaalsContact NH1-CE1 3.27Å; E582-F585 HydrophobicContact CB-CD2 4.06Å; E582-F585 HydrophobicContact CG-CD2 4.19Å; E582-F585 WeakPolarHBondContact O-CB 3.19Å; E582-F585 PolarHBondContact O-N 3.13Å; I583-F585 PolarHBondContact O-N 3.33Å; F585-R588 PolarHBondContact O-N 2.93Å; F585-I589 WeakPolarHBondContact O-CG1 3.24Å; F585-I589 PolarHBondContact O-N 3.04Å; F585-I589 VanDerWaalsContact O-N 3.14Å
586	W	91.1	Very high	88.4	Confident	6 Å²	6	56.1 Å²	56.1	2%	0.023	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-48.9	175.3	170.8	-109.3	0	0	0	111.9	V551 Y558 L576 I578 E582 I583 R588 I589 A590 M598 L600	V551-W586 HydrophobicContact CG1-CB 4.22Å; Y558-W586 HydrophobicContact CD2-CZ3 4.02Å; Y558-W586 HydrophobicContact CE2-CH2 4.3Å; Y558-W586 AromaticContact CE2-CZ3 3.62Å; Y558-W586 HydrophobicContact CE2-CZ3 3.62Å; L576-W586 HydrophobicContact CD2-CD2 3.74Å; L576-W586 HydrophobicContact CD2-CE3 3.36Å; L576-W586 HydrophobicContact CD2-CG 4.24Å; L576-W586 HydrophobicContact CD2-CZ3 3.87Å; I578-W586 HydrophobicContact CD1-CB 3.61Å; I578-W586 HydrophobicContact CD1-CG 3.97Å; E582-W586 PolarHBondContact O-N 3.33Å; E582-W586 VanDerWaalsContact O-N 3.13Å; I583-W586 PolarHBondContact O-N 3.48Å; W586-R588 PolarHBondContact O-N 2.84Å; W586-I589 HydrophobicContact CE3-CB 4.33Å; W586-I589 HydrophobicContact CE3-CG2 4.21Å; W586-I589 HydrophobicContact CZ3-CG2 3.93Å; W586-I589 CarbonylContact O-C 3.59Å; W586-I589 WeakPolarHBondContact O-CA 3.41Å; W586-I589 WeakPolarHBondContact O-CB 3.34Å; W586-I589 PolarHBondContact O-N 3.47Å; W586-A590 HydrophobicContact CZ2-CB 4.05Å; W586-A590 PolarHBondContact O-N 3.24Å; W586-M598 PolarHBondContact NE1-O 3.29Å; W586-L600 HydrophobicContact CE3-CD1 4.42Å; W586-L600 HydrophobicContact CH2-CD1 3.49Å; W586-L600 VanDerWaalsContact CH2-CD1 3.49Å; W586-L600 HydrophobicContact CH2-CD2 4.09Å; W586-L600 HydrophobicContact CH2-CG 3.67Å; W586-L600 HydrophobicContact CZ2-CD1 3.62Å; W586-L600 HydrophobicContact CZ2-CD2 4.18Å; W586-L600 HydrophobicContact CZ2-CG 3.43Å; W586-L600 VanDerWaalsContact CZ2-CG 3.43Å; W586-L600 HydrophobicContact CZ3-CD1 3.94Å
587	R	89.8	Confident	87.5	Confident	139 Å²	139	60.1 Å²	60.1	53%	0.525	30%	0.304	S	S	.	.	H	α-helix	trans	-55.8	-41.1	178.7	-75.3	179.9	179.4	176	0.6	111.9	I583 I589 A590 V591 M598	I583-R587 HydrophobicContact CG2-CG 4.29Å; I583-R587 WeakPolarHBondContact O-CG 3.44Å; I583-R587 PolarHBondContact O-N 2.92Å; R587-I589 VanDerWaalsContact C-N 3.33Å; R587-I589 PolarHBondContact O-N 2.9Å; R587-A590 PolarHBondContact O-N 3.33Å; R587-V591 WeakPolarHBondContact O-CB 3.36Å; R587-V591 VanDerWaalsContact O-CG2 3.29Å; R587-V591 WeakPolarHBondContact O-CG2 3.43Å; R587-V591 PolarHBondContact O-N 3.19Å; R587-M598 HydrophobicContact CB-CE 4.29Å; R587-M598 HydrophobicContact CG-CE 4.13Å
588	R	88	Confident	86.5	Confident	163 Å²	163	64.5 Å²	64.5	62%	0.615	33%	0.326	S	S	*	.	H	α-helix	trans	-61	-41.8	174.8	-174.7	-178.4	-63.8	177.8	-0.6	112	T584 F585 W586 S592	T584-R588 PolarHBondContact O-N 2.98Å; T584-R588 VanDerWaalsContact O-N 3.15Å; F585-R588 PolarHBondContact O-N 2.93Å; W586-R588 PolarHBondContact O-N 2.84Å; R588-S592 WeakPolarHBondContact O-CB 3.49Å; R588-S592 PolarHBondContact O-N 3.32Å; R588-S592 PolarHBondContact O-OG 3.37Å
589	I	89	Confident	85.8	Confident	2 Å²	2	69 Å²	69	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-65.2	-49	175.8	-71.5	169.3	0	0	0	110.7	V551 P552 A555 Y558 F585 W586 R587 V591 S592 L593	V551-I589 HydrophobicContact CG1-CD1 4.29Å; P552-I589 HydrophobicContact CB-CD1 3.9Å; P552-I589 HydrophobicContact CG-CD1 4.47Å; P552-I589 WeakPolarHBondContact O-CD1 3.44Å; A555-I589 HydrophobicContact CB-CG2 4.33Å; Y558-I589 HydrophobicContact CD1-CG2 4.45Å; Y558-I589 HydrophobicContact CD2-CG2 4.45Å; Y558-I589 HydrophobicContact CG-CG2 4.06Å; F585-I589 WeakPolarHBondContact O-CG1 3.24Å; F585-I589 PolarHBondContact O-N 3.04Å; F585-I589 VanDerWaalsContact O-N 3.14Å; W586-I589 HydrophobicContact CE3-CB 4.33Å; W586-I589 HydrophobicContact CE3-CG2 4.21Å; W586-I589 HydrophobicContact CZ3-CG2 3.93Å; W586-I589 CarbonylContact O-C 3.59Å; W586-I589 WeakPolarHBondContact O-CA 3.41Å; W586-I589 WeakPolarHBondContact O-CB 3.34Å; W586-I589 PolarHBondContact O-N 3.47Å; R587-I589 VanDerWaalsContact C-N 3.33Å; R587-I589 PolarHBondContact O-N 2.9Å; I589-V591 VanDerWaalsContact C-N 3.32Å; I589-V591 PolarHBondContact O-N 3.17Å; I589-S592 PolarHBondContact O-N 3.12Å; I589-S592 VanDerWaalsContact O-N 3.08Å; I589-L593 HydrophobicContact CG2-CD1 3.57Å; I589-L593 HydrophobicContact CG2-CG 4.12Å; I589-L593 WeakPolarHBondContact O-CB 3.48Å; I589-L593 WeakPolarHBondContact O-CG 3.47Å; I589-L593 PolarHBondContact O-N 3.41Å
590	A	88.2	Confident	85.4	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-57.6	-44.3	-179.6	0	0	0	0	0	112.1	W586 R587 L593 Q594 R595	W586-A590 HydrophobicContact CZ2-CB 4.05Å; W586-A590 PolarHBondContact O-N 3.24Å; R587-A590 PolarHBondContact O-N 3.33Å; A590-L593 CarbonylContact O-C 3.48Å; A590-L593 PolarHBondContact O-N 3.44Å; A590-Q594 PolarHBondContact O-N 3.36Å; A590-R595 PolarHBondContact O-N 3.23Å
591	V	86	Confident	85.1	Confident	90 Å²	90	71.2 Å²	71.2	55%	0.545	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-44.6	174.1	171	0	0	0	0	111.4	R587 I589 L593 Q594 M598	R587-V591 WeakPolarHBondContact O-CB 3.36Å; R587-V591 VanDerWaalsContact O-CG2 3.29Å; R587-V591 WeakPolarHBondContact O-CG2 3.43Å; R587-V591 PolarHBondContact O-N 3.19Å; I589-V591 VanDerWaalsContact C-N 3.32Å; I589-V591 PolarHBondContact O-N 3.17Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 2.99Å; V591-Q594 PolarHBondContact O-N 3.46Å; V591-M598 HydrophobicContact CG2-CE 4.1Å
592	S	84	Confident	84.8	Confident	13 Å²	13	68.5 Å²	68.5	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-64.7	-34.8	179.6	-59.7	0	0	0	0	112.2	F344 R588 I589 Q594	F344-S592 WeakPolarHBondContact CZ-O 3.39Å; R588-S592 WeakPolarHBondContact O-CB 3.49Å; R588-S592 PolarHBondContact O-N 3.32Å; R588-S592 PolarHBondContact O-OG 3.37Å; I589-S592 PolarHBondContact O-N 3.12Å; I589-S592 VanDerWaalsContact O-N 3.08Å; S592-Q594 PolarHBondContact O-N 2.85Å
593	L	83.9	Confident	84.4	Confident	15 Å²	15	68.4 Å²	68.4	8%	0.079	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1	173.9	-67.6	174.8	0	0	0	113.2	F344 A555 Y558 I559 I589 A590 V591 R595	F344-L593 HydrophobicContact CE2-CD2 4.21Å; F344-L593 HydrophobicContact CZ-CD2 3.85Å; A555-L593 HydrophobicContact CB-CD2 3.99Å; A555-L593 HydrophobicContact CB-CG 4.01Å; Y558-L593 HydrophobicContact CD1-CD1 3.71Å; Y558-L593 HydrophobicContact CE1-CD1 3.96Å; I559-L593 HydrophobicContact CD1-CD2 3.72Å; I559-L593 HydrophobicContact CG1-CD2 3.9Å; I589-L593 HydrophobicContact CG2-CD1 3.57Å; I589-L593 HydrophobicContact CG2-CG 4.12Å; I589-L593 WeakPolarHBondContact O-CB 3.48Å; I589-L593 WeakPolarHBondContact O-CG 3.47Å; I589-L593 PolarHBondContact O-N 3.41Å; A590-L593 CarbonylContact O-C 3.48Å; A590-L593 PolarHBondContact O-N 3.44Å; V591-L593 VanDerWaalsContact C-N 3.28Å; V591-L593 PolarHBondContact O-N 2.99Å; L593-R595 HydrophobicContact CB-CG 4.04Å; L593-R595 PolarHBondContact O-N 2.95Å
594	Q	80.4	Confident	83.9	Confident	100 Å²	100	71.9 Å²	71.9	47%	0.467	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	37.5	-178.7	-55.7	177.6	6.6	0	0	113.1	A590 V591 S592	A590-Q594 PolarHBondContact O-N 3.36Å; V591-Q594 PolarHBondContact O-N 3.46Å; S592-Q594 PolarHBondContact O-N 2.85Å
595	R	77.4	Confident	83.5	Confident	53 Å²	53	70.2 Å²	70.2	20%	0.2	35%	0.351	C	S	.	.			trans	-72	132.6	177.8	-64.1	-170.5	-178.1	-137.2	-7.7	110.3	E420 A590 L593 N597	E420-R595 IonicContact OE1-CZ 3.77Å; E420-R595 IonicContact OE1-NH2 2.81Å; E420-R595 PolarHBondContact OE1-NH2 3.31Å; E420-R595 IonicContact OE2-CZ 2.62Å; E420-R595 VanDerWaalsContact OE2-CZ 3.22Å; E420-R595 IonicContact OE2-NH1 3.99Å; E420-R595 PolarHBondContact OE2-NH1 2.95Å; E420-R595 IonicContact OE2-NH2 2.65Å; E420-R595 PolarHBondContact OE2-NH2 3.31Å; A590-R595 PolarHBondContact O-N 3.23Å; L593-R595 HydrophobicContact CB-CG 4.04Å; L593-R595 PolarHBondContact O-N 2.95Å; R595-N597 WeakPolarHBondContact CB-O 3.31Å
596	T	69.9	Low	83	Confident	144 Å²	144	72 Å²	72	88%	0.883	36%	0.359	S	S	*	.	S	Bend	trans	-68.5	-43.8	170.8	50	0	0	0	0	110.8
597	N	75.5	Confident	82.7	Confident	85 Å²	85	72.5 Å²	72.5	46%	0.455	36%	0.364	S	S	.	.			trans	-86.1	110.2	169.8	-166.4	-2	0	0	0	109.8	R595 E599	R595-N597 WeakPolarHBondContact CB-O 3.31Å; N597-E599 PolarHBondContact ND2-O 3.41Å; N597-E599 PolarHBondContact O-N 3.38Å; N597-E599 PolarHBondContact OD1-N 3.45Å; N597-E599 PolarHBondContact OD1-O 2.93Å; N597-E599 VanDerWaalsContact OD1-O 3.12Å
598	M	77.3	Confident	82.7	Confident	91 Å²	91	69.4 Å²	69.4	45%	0.448	36%	0.36	S	S	.	.	S	Bend	trans	-69.4	-15.4	175.5	-68.4	-168.3	69	0	0	112.5	W586 R587 V591	W586-M598 PolarHBondContact NE1-O 3.29Å; R587-M598 HydrophobicContact CB-CE 4.29Å; R587-M598 HydrophobicContact CG-CE 4.13Å; V591-M598 HydrophobicContact CG2-CE 4.1Å
599	E	78.8	Confident	82.8	Confident	103 Å²	103	67 Å²	67	48%	0.481	36%	0.364	S	S	.	.	S	Bend	trans	-105.8	136.3	179.1	-57.2	-153	179.5	0	0	110.5	R422 N597	R422-E599 IonicContact CZ-OE2 3.96Å; R422-E599 VanDerWaalsContact CZ-OE2 3.29Å; R422-E599 IonicContact NH1-OE2 3.83Å; R422-E599 PolarHBondContact NH1-OE2 2.98Å; R422-E599 IonicContact NH2-OE2 2.9Å; R422-E599 PolarHBondContact NH2-OE2 3.32Å; N597-E599 PolarHBondContact ND2-O 3.41Å; N597-E599 PolarHBondContact O-N 3.38Å; N597-E599 PolarHBondContact OD1-N 3.45Å; N597-E599 PolarHBondContact OD1-O 2.93Å; N597-E599 VanDerWaalsContact OD1-O 3.12Å
600	L	84	Confident	82.8	Confident	10 Å²	10	70.6 Å²	70.6	5%	0.052	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-76.8	150.9	167.1	-80.9	166.1	0	0	0	109	E420 R422 L576 W586	E420-L600 HydrophobicContact CB-CD2 3.82Å; R422-L600 HydrophobicContact CB-CB 3.86Å; R422-L600 HydrophobicContact CB-CD1 4.18Å; R422-L600 WeakPolarHBondContact CD-O 3.46Å; R422-L600 HydrophobicContact CG-CB 3.94Å; R422-L600 PolarHBondContact NE-O 3.29Å; L576-L600 HydrophobicContact CB-CD1 4.01Å; L576-L600 HydrophobicContact CD2-CD1 3.73Å; W586-L600 HydrophobicContact CE3-CD1 4.42Å; W586-L600 HydrophobicContact CH2-CD1 3.49Å; W586-L600 VanDerWaalsContact CH2-CD1 3.49Å; W586-L600 HydrophobicContact CH2-CD2 4.09Å; W586-L600 HydrophobicContact CH2-CG 3.67Å; W586-L600 HydrophobicContact CZ2-CD1 3.62Å; W586-L600 HydrophobicContact CZ2-CD2 4.18Å; W586-L600 HydrophobicContact CZ2-CG 3.43Å; W586-L600 VanDerWaalsContact CZ2-CG 3.43Å; W586-L600 HydrophobicContact CZ3-CD1 3.94Å
601	D	86.6	Confident	83	Confident	114 Å²	114	71.7 Å²	71.7	61%	0.61	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-59.8	139.3	170.4	-62.2	-28.5	0	0	0	110.1	C421 R422	C421-D601 CarbonylContact C-O 3.51Å; C421-D601 WeakPolarHBondContact CA-O 3.46Å; C421-D601 WeakPolarHBondContact CB-O 3.29Å; R422-D601 PolarHBondContact N-O 2.75Å
602	D	85.4	Confident	83.2	Confident	82 Å²	82	69.7 Å²	69.7	44%	0.439	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-70.4	141.3	177	-70.5	-40	0	0	0	110.1	R422 T604	R422-D602 WeakPolarHBondContact CG-OD1 3.36Å; R422-D602 IonicContact CZ-OD1 2.82Å; R422-D602 IonicContact NE-OD1 3.29Å; R422-D602 PolarHBondContact NE-OD1 3.48Å; R422-D602 IonicContact NH2-OD1 2.87Å; R422-D602 PolarHBondContact NH2-OD1 2.85Å; R422-D602 IonicContact NH2-OD2 3.39Å; D602-T604 PolarHBondContact O-N 3Å; D602-T604 VanDerWaalsContact O-N 3.1Å
603	F	84.9	Confident	83.7	Confident	15 Å²	15	72.1 Å²	72.1	7%	0.066	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-57.3	119.9	172.7	-176	-120.3	0	0	0	109.4	R422 L423 W437 F438 W545 L575 I605 Q606	R422-F603 WeakPolarHBondContact O-CB 3.42Å; R422-F603 PolarHBondContact O-N 2.83Å; L423-F603 HydrophobicContact CD1-CD1 4.09Å; W437-F603 HydrophobicContact CH2-CD1 4.35Å; W437-F603 AromaticContact CH2-CE1 3.91Å; W437-F603 HydrophobicContact CH2-CE1 3.91Å; W437-F603 HydrophobicContact CZ3-CD1 4.42Å; W437-F603 HydrophobicContact CZ3-CE1 4.13Å; F438-F603 HydrophobicContact CD2-CE1 4.24Å; F438-F603 HydrophobicContact CD2-CZ 4.4Å; F438-F603 HydrophobicContact CE2-CE1 4.15Å; F438-F603 HydrophobicContact CE2-CE2 4.39Å; F438-F603 AromaticContact CE2-CZ 3.85Å; F438-F603 HydrophobicContact CE2-CZ 3.85Å; W545-F603 AromaticContact CH2-CE2 3.96Å; W545-F603 HydrophobicContact CH2-CE2 3.96Å; W545-F603 HydrophobicContact CH2-CZ 4.37Å; W545-F603 HydrophobicContact CZ3-CE2 4Å; L575-F603 HydrophobicContact CD1-CB 3.95Å; L575-F603 HydrophobicContact CD1-CD2 4.2Å; L575-F603 HydrophobicContact CD1-CG 4.13Å; F603-I605 HydrophobicContact CD1-CB 4.36Å; F603-I605 WeakPolarHBondContact CD1-O 3.34Å; F603-I605 HydrophobicContact CE1-CB 3.78Å; F603-I605 VanDerWaalsContact CE1-O 3.26Å; F603-I605 WeakPolarHBondContact CE1-O 2.97Å; F603-I605 HydrophobicContact CZ-CB 4.11Å; F603-I605 HydrophobicContact CZ-CD1 4.46Å; F603-I605 HydrophobicContact CZ-CG1 4.48Å; F603-I605 PolarHBondContact O-N 3.17Å; F603-I605 VanDerWaalsContact O-N 3.15Å; F603-Q606 PolarHBondContact O-NE2 3.4Å
604	T	79.6	Confident	84.2	Confident	135 Å²	135	72 Å²	72	83%	0.828	39%	0.387	S	S	*	.	S	Bend	trans	-58.8	-34.1	-168.5	-45.5	0	0	0	0	112.8	D602	D602-T604 PolarHBondContact O-N 3Å; D602-T604 VanDerWaalsContact O-N 3.1Å
605	I	81.6	Confident	84.9	Confident	53 Å²	53	67.2 Å²	67.2	27%	0.272	37%	0.365	S	S	.	.			trans	-94.6	112.5	-175.5	-54	177	0	0	0	108.3	W437 L445 F603	W437-I605 HydrophobicContact CH2-CG2 4.36Å; W437-I605 VanDerWaalsContact CH2-O 3.32Å; W437-I605 WeakPolarHBondContact CH2-O 3.24Å; W437-I605 HydrophobicContact CZ2-CG2 4.36Å; L445-I605 HydrophobicContact CB-CD1 3.62Å; L445-I605 HydrophobicContact CB-CG2 4.25Å; L445-I605 HydrophobicContact CD1-CG2 3.75Å; L445-I605 WeakPolarHBondContact O-CD1 3.44Å; F603-I605 HydrophobicContact CD1-CB 4.36Å; F603-I605 WeakPolarHBondContact CD1-O 3.34Å; F603-I605 HydrophobicContact CE1-CB 3.78Å; F603-I605 VanDerWaalsContact CE1-O 3.26Å; F603-I605 WeakPolarHBondContact CE1-O 2.97Å; F603-I605 HydrophobicContact CZ-CB 4.11Å; F603-I605 HydrophobicContact CZ-CD1 4.46Å; F603-I605 HydrophobicContact CZ-CG1 4.48Å; F603-I605 PolarHBondContact O-N 3.17Å; F603-I605 VanDerWaalsContact O-N 3.15Å
606	Q	81.7	Confident	85.8	Confident	98 Å²	98	68.1 Å²	68.1	46%	0.458	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-99.2	145.7	176.6	-66.5	-61.4	-37.4	0	0	111.3	F603	F603-Q606 PolarHBondContact O-NE2 3.4Å
607	P	85.5	Confident	87.1	Confident	17 Å²	17	65.6 Å²	65.6	11%	0.11	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-67.6	140.9	175.7	30	-36.4	0	0	0	110.8	W437 L612	W437-P607 HydrophobicContact CD2-CB 3.73Å; W437-P607 HydrophobicContact CD2-CG 4.42Å; W437-P607 HydrophobicContact CE3-CB 4.43Å; W437-P607 HydrophobicContact CG-CB 3.97Å; W437-P607 HydrophobicContact CH2-CB 4.48Å; W437-P607 HydrophobicContact CZ2-CB 3.8Å; P607-L612 HydrophobicContact CB-CD1 4.32Å; P607-L612 HydrophobicContact CB-CD2 3.65Å; P607-L612 HydrophobicContact CB-CG 3.69Å; P607-L612 HydrophobicContact CG-CD1 3.83Å; P607-L612 HydrophobicContact CG-CD2 3.54Å; P607-L612 HydrophobicContact CG-CG 3.69Å
608	T	88.3	Confident	88.1	Confident	74 Å²	74	61.6 Å²	61.6	45%	0.454	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70.5	154.9	169.4	61	0	0	0	0	110.7	I610 Q611 L612	T608-I610 PolarHBondContact O-N 3.16Å; T608-Q611 WeakPolarHBondContact O-CB 3.14Å; T608-Q611 PolarHBondContact O-N 3.15Å; T608-Q611 VanDerWaalsContact O-N 3.11Å; T608-Q611 WeakPolarHBondContact OG1-CB 3.38Å; T608-Q611 WeakPolarHBondContact OG1-CG 3.34Å; T608-Q611 PolarHBondContact OG1-N 3.35Å; T608-Q611 PolarHBondContact OG1-OE1 3.37Å; T608-L612 PolarHBondContact O-N 2.71Å
609	T	89.7	Confident	89.1	Confident	112 Å²	112	57.3 Å²	57.3	69%	0.687	31%	0.307	S	S	*	.	H	α-helix	trans	-53.7	-42.6	177.9	-49.3	0	0	0	0	111.7	L612 T613	T609-L612 PolarHBondContact O-N 3.13Å; T609-T613 PolarHBondContact O-N 2.73Å; T609-T613 PolarHBondContact O-OG1 3.2Å; T609-T613 VanDerWaalsContact O-OG1 3.05Å
610	I	90.7	Very high	89.9	Confident	79 Å²	79	57.3 Å²	57.3	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-64.3	-44.3	179.7	-60.7	172.4	0	0	0	111.1	T608 L612 T613 I614 L701 L704	T608-I610 PolarHBondContact O-N 3.16Å; I610-L612 VanDerWaalsContact C-N 3.32Å; I610-L612 PolarHBondContact O-N 3.11Å; I610-T613 PolarHBondContact O-N 3.31Å; I610-I614 HydrophobicContact CG2-CD1 3.85Å; I610-I614 WeakPolarHBondContact O-CB 3.43Å; I610-I614 WeakPolarHBondContact O-CG1 3.43Å; I610-I614 PolarHBondContact O-N 3.07Å; I610-I614 VanDerWaalsContact O-N 3.07Å; I610-L701 HydrophobicContact CG2-CD2 4.21Å; I610-L704 HydrophobicContact CD1-CD1 3.63Å; I610-L704 HydrophobicContact CD1-CD2 4.34Å; I610-L704 HydrophobicContact CG2-CD1 4Å
611	Q	91.3	Very high	90.5	Very high	23 Å²	23	57.5 Å²	57.5	11%	0.107	31%	0.306	C	S	.	.	H	α-helix	trans	-61.1	-41.5	176	-77.4	171.2	-11.3	0	0	111.7	F441 T608 S615 L701	F441-Q611 HydrophobicContact CE1-CG 4.41Å; F441-Q611 HydrophobicContact CZ-CG 4.35Å; T608-Q611 WeakPolarHBondContact O-CB 3.14Å; T608-Q611 PolarHBondContact O-N 3.15Å; T608-Q611 VanDerWaalsContact O-N 3.11Å; T608-Q611 WeakPolarHBondContact OG1-CB 3.38Å; T608-Q611 WeakPolarHBondContact OG1-CG 3.34Å; T608-Q611 PolarHBondContact OG1-N 3.35Å; T608-Q611 PolarHBondContact OG1-OE1 3.37Å; Q611-S615 WeakPolarHBondContact O-CB 3.17Å; Q611-S615 PolarHBondContact O-N 3.13Å; Q611-S615 PolarHBondContact O-OG 3.08Å; Q611-L701 HydrophobicContact CG-CD2 3.8Å
612	L	91.1	Very high	91	Very high	47 Å²	47	52.1 Å²	52.1	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-63.9	-48.5	177.1	-75.5	-178.6	0	0	0	112.1	P607 T608 T609 I610 I614 S615 E616	P607-L612 HydrophobicContact CB-CD1 4.32Å; P607-L612 HydrophobicContact CB-CD2 3.65Å; P607-L612 HydrophobicContact CB-CG 3.69Å; P607-L612 HydrophobicContact CG-CD1 3.83Å; P607-L612 HydrophobicContact CG-CD2 3.54Å; P607-L612 HydrophobicContact CG-CG 3.69Å; T608-L612 PolarHBondContact O-N 2.71Å; T609-L612 PolarHBondContact O-N 3.13Å; I610-L612 VanDerWaalsContact C-N 3.32Å; I610-L612 PolarHBondContact O-N 3.11Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 3.39Å; L612-S615 WeakPolarHBondContact O-CB 3.43Å; L612-S615 PolarHBondContact O-N 3.11Å; L612-E616 WeakPolarHBondContact O-CB 3.26Å; L612-E616 PolarHBondContact O-N 2.99Å
613	T	94.5	Very high	91.5	Very high	65 Å²	65	50.2 Å²	50.2	40%	0.399	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-43.9	-179.4	-56.3	0	0	0	0	111.7	T609 I610 E616 Q617	T609-T613 PolarHBondContact O-N 2.73Å; T609-T613 PolarHBondContact O-OG1 3.2Å; T609-T613 VanDerWaalsContact O-OG1 3.05Å; I610-T613 PolarHBondContact O-N 3.31Å; T613-E616 PolarHBondContact O-N 2.8Å; T613-Q617 WeakPolarHBondContact O-CG 3.27Å; T613-Q617 PolarHBondContact O-N 2.82Å; T613-Q617 VanDerWaalsContact O-N 3.13Å
614	I	94.3	Very high	92	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-47.6	176.2	-72.7	169.3	0	0	0	110.7	V483 I610 L612 E616 Q617 I618 L701	V483-I614 HydrophobicContact CG2-CG2 4.28Å; I610-I614 HydrophobicContact CG2-CD1 3.85Å; I610-I614 WeakPolarHBondContact O-CB 3.43Å; I610-I614 WeakPolarHBondContact O-CG1 3.43Å; I610-I614 PolarHBondContact O-N 3.07Å; I610-I614 VanDerWaalsContact O-N 3.07Å; L612-I614 VanDerWaalsContact C-N 3.34Å; L612-I614 PolarHBondContact O-N 3.39Å; I614-E616 PolarHBondContact O-N 2.85Å; I614-Q617 PolarHBondContact O-N 3.01Å; I614-I618 HydrophobicContact CG2-CD1 3.67Å; I614-I618 HydrophobicContact CG2-CG1 4.44Å; I614-I618 WeakPolarHBondContact O-CB 3.32Å; I614-I618 WeakPolarHBondContact O-CG1 3.22Å; I614-I618 PolarHBondContact O-N 2.69Å; I614-L701 HydrophobicContact CD1-CD1 3.64Å; I614-L701 HydrophobicContact CD1-CD2 4.23Å; I614-L701 HydrophobicContact CD1-CG 3.74Å; I614-L701 HydrophobicContact CG2-CD1 4.29Å
615	S	95.2	Very high	92.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-40.6	178.3	-63.8	0	0	0	0	111.5	Q611 L612 V619	Q611-S615 WeakPolarHBondContact O-CB 3.17Å; Q611-S615 PolarHBondContact O-N 3.13Å; Q611-S615 PolarHBondContact O-OG 3.08Å; L612-S615 WeakPolarHBondContact O-CB 3.43Å; L612-S615 PolarHBondContact O-N 3.11Å; S615-V619 VanDerWaalsContact O-CB 3.29Å; S615-V619 WeakPolarHBondContact O-CB 3.32Å; S615-V619 WeakPolarHBondContact O-CG2 3.22Å; S615-V619 PolarHBondContact O-N 3.36Å
616	E	96.3	Very high	93.3	Very high	73 Å²	73	46.8 Å²	46.8	34%	0.341	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-49.2	178.3	178	169	-170.3	0	0	112	I433 L612 T613 I614 V619 K620	I433-E616 HydrophobicContact CD1-CB 3.83Å; I433-E616 HydrophobicContact CD1-CG 3.66Å; I433-E616 HydrophobicContact CG1-CB 4.45Å; I433-E616 HydrophobicContact CG2-CB 4.17Å; L612-E616 WeakPolarHBondContact O-CB 3.26Å; L612-E616 PolarHBondContact O-N 2.99Å; T613-E616 PolarHBondContact O-N 2.8Å; I614-E616 PolarHBondContact O-N 2.85Å; E616-V619 PolarHBondContact O-N 2.56Å; E616-K620 HydrophobicContact CG-CD 4.02Å; E616-K620 HydrophobicContact CG-CG 4.47Å; E616-K620 WeakPolarHBondContact O-CB 3.27Å; E616-K620 VanDerWaalsContact O-CG 3.27Å; E616-K620 WeakPolarHBondContact O-CG 3.43Å; E616-K620 PolarHBondContact O-N 3.26Å; E616-K620 WeakPolarHBondContact OE1-CE 3.39Å; E616-K620 IonicContact OE1-NZ 2.64Å; E616-K620 PolarHBondContact OE1-NZ 2.93Å
617	Q	96.6	Very high	93.9	Very high	91 Å²	91	46.1 Å²	46.1	43%	0.425	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-46.7	179.2	-68.2	173.6	-1	0	0	111.4	T613 I614 K620 L621 L693	T613-Q617 WeakPolarHBondContact O-CG 3.27Å; T613-Q617 PolarHBondContact O-N 2.82Å; T613-Q617 VanDerWaalsContact O-N 3.13Å; I614-Q617 PolarHBondContact O-N 3.01Å; Q617-K620 PolarHBondContact O-N 3.25Å; Q617-L621 PolarHBondContact O-N 3.29Å; Q617-L621 VanDerWaalsContact O-N 3.17Å; Q617-L693 HydrophobicContact CB-CD2 3.64Å
618	I	97.3	Very high	94.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-50	178.2	-72.9	175	0	0	0	111	F436 L475 A480 I614 K620 L621 A622 L690 L693 I694	F436-I618 HydrophobicContact CE1-CD1 4.31Å; F436-I618 HydrophobicContact CE1-CG2 4.18Å; F436-I618 HydrophobicContact CE2-CG2 4.32Å; F436-I618 HydrophobicContact CZ-CD1 4.27Å; F436-I618 HydrophobicContact CZ-CG2 3.94Å; L475-I618 HydrophobicContact CD2-CG2 3.37Å; A480-I618 HydrophobicContact CB-CG2 4Å; I614-I618 HydrophobicContact CG2-CD1 3.67Å; I614-I618 HydrophobicContact CG2-CG1 4.44Å; I614-I618 WeakPolarHBondContact O-CB 3.32Å; I614-I618 WeakPolarHBondContact O-CG1 3.22Å; I614-I618 PolarHBondContact O-N 2.69Å; I618-K620 PolarHBondContact O-N 2.93Å; I618-L621 PolarHBondContact O-N 2.9Å; I618-A622 WeakPolarHBondContact O-CB 3.47Å; I618-A622 PolarHBondContact O-N 2.85Å; I618-L690 HydrophobicContact CB-CD1 4.36Å; I618-L690 HydrophobicContact CG1-CD1 4.45Å; I618-L690 HydrophobicContact CG2-CD1 4.07Å; I618-L693 HydrophobicContact CG1-CD2 3.74Å; I618-L693 HydrophobicContact CG1-CG 4.14Å; I618-I694 HydrophobicContact CD1-CG1 4.1Å; I618-I694 HydrophobicContact CG1-CG1 4.33Å
619	V	97.3	Very high	94.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-36.5	-177.3	170.1	0	0	0	0	111.6	D432 I433 F436 L475 S615 E616 A622 K623	D432-V619 HydrophobicContact CB-CG1 3.9Å; I433-V619 HydrophobicContact CG1-CB 4.3Å; I433-V619 HydrophobicContact CG1-CG1 4.22Å; F436-V619 HydrophobicContact CB-CG2 3.55Å; F436-V619 HydrophobicContact CD1-CG2 4.13Å; F436-V619 HydrophobicContact CG-CG2 3.84Å; L475-V619 HydrophobicContact CD1-CG2 4.34Å; S615-V619 VanDerWaalsContact O-CB 3.29Å; S615-V619 WeakPolarHBondContact O-CB 3.32Å; S615-V619 WeakPolarHBondContact O-CG2 3.22Å; S615-V619 PolarHBondContact O-N 3.36Å; E616-V619 PolarHBondContact O-N 2.56Å; V619-A622 PolarHBondContact O-N 3.47Å; V619-K623 HydrophobicContact CG1-CD 4.14Å; V619-K623 HydrophobicContact CG1-CG 4.38Å; V619-K623 WeakPolarHBondContact O-CB 3.46Å; V619-K623 VanDerWaalsContact O-CG 3.3Å; V619-K623 WeakPolarHBondContact O-CG 3.5Å; V619-K623 PolarHBondContact O-N 3.41Å
620	K	96.8	Very high	93.9	Very high	103 Å²	103	44.8 Å²	44.8	45%	0.448	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-48.1	175.8	-79.7	179.5	-179	174.6	0	111.7	E616 Q617 I618 K623 Q624	E616-K620 HydrophobicContact CG-CD 4.02Å; E616-K620 HydrophobicContact CG-CG 4.47Å; E616-K620 WeakPolarHBondContact O-CB 3.27Å; E616-K620 VanDerWaalsContact O-CG 3.27Å; E616-K620 WeakPolarHBondContact O-CG 3.43Å; E616-K620 PolarHBondContact O-N 3.26Å; E616-K620 WeakPolarHBondContact OE1-CE 3.39Å; E616-K620 IonicContact OE1-NZ 2.64Å; E616-K620 PolarHBondContact OE1-NZ 2.93Å; Q617-K620 PolarHBondContact O-N 3.25Å; I618-K620 PolarHBondContact O-N 2.93Å; K620-K623 PolarHBondContact O-N 3.01Å; K620-Q624 WeakPolarHBondContact O-CG 3.36Å; K620-Q624 PolarHBondContact O-N 2.96Å
621	L	96.6	Very high	93.8	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-45.3	176.1	-74.9	174.2	0	0	0	111.7	Q617 I618 K623 Q624 I625 L686 E689 L690 L693	Q617-L621 PolarHBondContact O-N 3.29Å; Q617-L621 VanDerWaalsContact O-N 3.17Å; I618-L621 PolarHBondContact O-N 2.9Å; L621-K623 VanDerWaalsContact C-N 3.3Å; L621-K623 PolarHBondContact O-N 3.5Å; L621-Q624 PolarHBondContact O-N 3.37Å; L621-Q624 VanDerWaalsContact O-N 3.13Å; L621-I625 WeakPolarHBondContact O-CG1 3.3Å; L621-I625 PolarHBondContact O-N 3.19Å; L621-L686 HydrophobicContact CD2-CD2 4.37Å; L621-E689 HydrophobicContact CD1-CG 4.02Å; L621-E689 HydrophobicContact CD2-CG 4.49Å; L621-L690 HydrophobicContact CB-CB 4.4Å; L621-L690 HydrophobicContact CB-CD1 4.1Å; L621-L690 HydrophobicContact CD1-CB 4.36Å; L621-L690 HydrophobicContact CD1-CD1 4.38Å; L621-L693 HydrophobicContact CD1-CD2 3.84Å
622	A	96.8	Very high	93.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-40	177.3	0	0	0	0	0	112.6	V471 Q474 L475 I618 V619 I625 D626 L690	V471-A622 HydrophobicContact CG1-CB 4.37Å; Q474-A622 HydrophobicContact CB-CB 4.09Å; L475-A622 HydrophobicContact CD2-CB 3.64Å; L475-A622 HydrophobicContact CG-CB 3.84Å; I618-A622 WeakPolarHBondContact O-CB 3.47Å; I618-A622 PolarHBondContact O-N 2.85Å; V619-A622 PolarHBondContact O-N 3.47Å; A622-I625 PolarHBondContact O-N 2.95Å; A622-D626 WeakPolarHBondContact O-CB 3.45Å; A622-D626 PolarHBondContact O-N 2.87Å; A622-L690 HydrophobicContact CB-CD2 4.29Å
623	K	96	Very high	93.1	Very high	43 Å²	43	48.9 Å²	48.9	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-43.3	174.1	-77.4	174.3	174.1	-174.6	0	112.5	E429 D432 V471 V619 K620 L621 I625 D626 I627	E429-K623 PolarHBondContact O-NZ 3.2Å; D432-K623 WeakPolarHBondContact OD2-CE 3.38Å; D432-K623 IonicContact OD2-NZ 2.75Å; D432-K623 PolarHBondContact OD2-NZ 3.25Å; V471-K623 HydrophobicContact CG1-CG 4.11Å; V471-K623 HydrophobicContact CG2-CG 3.84Å; V619-K623 HydrophobicContact CG1-CD 4.14Å; V619-K623 HydrophobicContact CG1-CG 4.38Å; V619-K623 WeakPolarHBondContact O-CB 3.46Å; V619-K623 VanDerWaalsContact O-CG 3.3Å; V619-K623 WeakPolarHBondContact O-CG 3.5Å; V619-K623 PolarHBondContact O-N 3.41Å; K620-K623 PolarHBondContact O-N 3.01Å; L621-K623 VanDerWaalsContact C-N 3.3Å; L621-K623 PolarHBondContact O-N 3.5Å; K623-I625 VanDerWaalsContact C-N 3.34Å; K623-D626 PolarHBondContact O-N 3.47Å; K623-I627 WeakPolarHBondContact O-CB 3.35Å; K623-I627 VanDerWaalsContact O-CG1 3.24Å; K623-I627 WeakPolarHBondContact O-CG1 3.05Å; K623-I627 PolarHBondContact O-N 3.25Å
624	Q	95.4	Very high	92.5	Very high	102 Å²	102	53.4 Å²	53.4	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-62	-43.8	178.1	-72.3	175.3	0	0	0	111.3	K620 L621 I627 Q628	K620-Q624 WeakPolarHBondContact O-CG 3.36Å; K620-Q624 PolarHBondContact O-N 2.96Å; L621-Q624 PolarHBondContact O-N 3.37Å; L621-Q624 VanDerWaalsContact O-N 3.13Å; Q624-I627 PolarHBondContact O-N 3.31Å; Q624-Q628 WeakPolarHBondContact O-CB 3.41Å; Q624-Q628 PolarHBondContact O-N 3.43Å
625	I	95.2	Very high	91.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.4	-51.1	175.1	-65	162.5	0	0	0	110.4	Q474 L621 A622 K623 I627 Q628 E629 L686 K687 L690	Q474-I625 HydrophobicContact CG-CG2 4.18Å; L621-I625 WeakPolarHBondContact O-CG1 3.3Å; L621-I625 PolarHBondContact O-N 3.19Å; A622-I625 PolarHBondContact O-N 2.95Å; K623-I625 VanDerWaalsContact C-N 3.34Å; I625-I627 PolarHBondContact O-N 3.29Å; I625-Q628 PolarHBondContact O-N 3.01Å; I625-E629 HydrophobicContact CG2-CG 4.35Å; I625-E629 WeakPolarHBondContact O-CG 3.48Å; I625-E629 PolarHBondContact O-N 2.99Å; I625-L686 HydrophobicContact CD1-CB 4.11Å; I625-L686 HydrophobicContact CG1-CB 3.62Å; I625-L686 HydrophobicContact CG1-CD1 4.33Å; I625-K687 HydrophobicContact CD1-CG 3.92Å; I625-K687 HydrophobicContact CG1-CG 4.43Å; I625-K687 HydrophobicContact CG2-CG 4.18Å; I625-L690 HydrophobicContact CD1-CB 4.29Å; I625-L690 HydrophobicContact CD1-CD2 3.78Å
626	D	93.9	Very high	91	Very high	29 Å²	29	64.6 Å²	64.6	16%	0.155	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-44.3	-179.3	-174	71.3	0	0	0	112.2	G470 Q474 A622 K623 Q628 E629 H630	G470-D626 WeakPolarHBondContact CA-OD1 2.86Å; Q474-D626 HydrophobicContact CG-CB 3.97Å; A622-D626 WeakPolarHBondContact O-CB 3.45Å; A622-D626 PolarHBondContact O-N 2.87Å; K623-D626 PolarHBondContact O-N 3.47Å; D626-Q628 VanDerWaalsContact C-N 3.34Å; D626-Q628 PolarHBondContact O-N 3.35Å; D626-E629 PolarHBondContact O-N 3.33Å; D626-H630 WeakPolarHBondContact O-CB 3.48Å; D626-H630 PolarHBondContact O-N 3.44Å
627	I	92.5	Very high	90.1	Very high	84 Å²	84	62.4 Å²	62.4	43%	0.431	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.8	-70.9	166.4	0	0	0	110.8	K623 Q624 I625 H630 R631	K623-I627 WeakPolarHBondContact O-CB 3.35Å; K623-I627 VanDerWaalsContact O-CG1 3.24Å; K623-I627 WeakPolarHBondContact O-CG1 3.05Å; K623-I627 PolarHBondContact O-N 3.25Å; Q624-I627 PolarHBondContact O-N 3.31Å; I625-I627 PolarHBondContact O-N 3.29Å; I627-H630 PolarHBondContact O-N 3.37Å; I627-R631 VanDerWaalsContact O-CG 3.28Å; I627-R631 WeakPolarHBondContact O-CG 3.35Å; I627-R631 PolarHBondContact O-N 3.37Å
628	Q	90.9	Very high	89.4	Confident	43 Å²	43	62.6 Å²	62.6	20%	0.201	30%	0.295	C	S	.	.	H	α-helix	trans	-70.1	-42	-178.3	-169.7	60.7	25.1	0	0	112	Q624 I625 D626 H630 R631 N632 T683	Q624-Q628 WeakPolarHBondContact O-CB 3.41Å; Q624-Q628 PolarHBondContact O-N 3.43Å; I625-Q628 PolarHBondContact O-N 3.01Å; D626-Q628 VanDerWaalsContact C-N 3.34Å; D626-Q628 PolarHBondContact O-N 3.35Å; Q628-H630 VanDerWaalsContact C-N 3.32Å; Q628-H630 PolarHBondContact O-N 2.95Å; Q628-R631 PolarHBondContact O-N 2.98Å; Q628-N632 PolarHBondContact NE2-OD1 2.83Å; Q628-N632 WeakPolarHBondContact O-CB 3.29Å; Q628-N632 PolarHBondContact O-N 3.39Å; Q628-N632 PolarHBondContact O-OD1 3.36Å; Q628-T683 HydrophobicContact CB-CG2 4.06Å; Q628-T683 HydrophobicContact CG-CG2 3.87Å
629	E	88.4	Confident	88.5	Confident	52 Å²	52	66.1 Å²	66.1	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-61.5	-41.7	173.5	-73.9	-169.5	167.9	0	0	111.6	Q474 I625 D626 R631 N632 S633 T683 K687	Q474-E629 PolarHBondContact NE2-OE2 3.27Å; I625-E629 HydrophobicContact CG2-CG 4.35Å; I625-E629 WeakPolarHBondContact O-CG 3.48Å; I625-E629 PolarHBondContact O-N 2.99Å; D626-E629 PolarHBondContact O-N 3.33Å; E629-R631 PolarHBondContact O-N 3.44Å; E629-N632 PolarHBondContact O-N 3.41Å; E629-S633 WeakPolarHBondContact O-CB 3.28Å; E629-S633 PolarHBondContact O-N 2.82Å; E629-T683 HydrophobicContact CG-CG2 3.84Å; E629-K687 WeakPolarHBondContact OE1-CE 3.47Å; E629-K687 IonicContact OE1-NZ 2.84Å; E629-K687 PolarHBondContact OE1-NZ 3.24Å
630	H	86	Confident	87.8	Confident	79 Å²	79	69.8 Å²	69.8	37%	0.366	33%	0.333	S	S	.	.	H	α-helix	trans	-66	-39.1	177.9	-164.8	50.2	0	0	0	112.1	D626 I627 Q628 R634	D626-H630 WeakPolarHBondContact O-CB 3.48Å; D626-H630 PolarHBondContact O-N 3.44Å; I627-H630 PolarHBondContact O-N 3.37Å; Q628-H630 VanDerWaalsContact C-N 3.32Å; Q628-H630 PolarHBondContact O-N 2.95Å; H630-R634 PolarHBondContact CD2-NE 2.75Å; H630-R634 VanDerWaalsContact CD2-NE 3.28Å; H630-R634 PolarHBondContact CD2-NH2 3.24Å; H630-R634 PolarHBondContact NE2-NE 2.81Å; H630-R634 PolarHBondContact NE2-NH2 2.94Å; H630-R634 WeakPolarHBondContact O-CG 3.38Å; H630-R634 PolarHBondContact O-N 3.46Å
631	R	87.7	Confident	86.9	Confident	149 Å²	149	73 Å²	73	56%	0.562	34%	0.342	S	S	*	.	H	α-helix	trans	-62.3	-45	173.3	-75.9	171.3	176.2	174.4	-1.6	111.5	I627 Q628 E629 R634 K635	I627-R631 VanDerWaalsContact O-CG 3.28Å; I627-R631 WeakPolarHBondContact O-CG 3.35Å; I627-R631 PolarHBondContact O-N 3.37Å; Q628-R631 PolarHBondContact O-N 2.98Å; E629-R631 PolarHBondContact O-N 3.44Å; R631-R634 PolarHBondContact O-N 3.14Å; R631-K635 WeakPolarHBondContact O-CG 3.4Å; R631-K635 PolarHBondContact O-N 3.4Å
632	N	85.5	Confident	86.1	Confident	42 Å²	42	77.3 Å²	77.3	23%	0.225	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-44.7	178.3	-69.3	-6.7	0	0	0	111.3	Q628 E629 R634 K635 L636	Q628-N632 PolarHBondContact NE2-OD1 2.83Å; Q628-N632 WeakPolarHBondContact O-CB 3.29Å; Q628-N632 PolarHBondContact O-N 3.39Å; Q628-N632 PolarHBondContact O-OD1 3.36Å; E629-N632 PolarHBondContact O-N 3.41Å; N632-R634 PolarHBondContact O-N 2.73Å; N632-K635 PolarHBondContact O-N 2.89Å; N632-L636 WeakPolarHBondContact O-CB 3.31Å; N632-L636 WeakPolarHBondContact O-CG 3.42Å; N632-L636 PolarHBondContact O-N 3.46Å
633	S	81.8	Confident	85.5	Confident	44 Å²	44	80.7 Å²	80.7	31%	0.308	38%	0.381	S	S	.	.	H	α-helix	trans	-59.7	-43.8	176.4	179.2	0	0	0	0	111.9	E629 K635 L636 A637	E629-S633 WeakPolarHBondContact O-CB 3.28Å; E629-S633 PolarHBondContact O-N 2.82Å; S633-K635 PolarHBondContact O-N 3.08Å; S633-L636 PolarHBondContact O-N 2.91Å; S633-A637 VanDerWaalsContact O-CB 3.31Å; S633-A637 WeakPolarHBondContact O-CB 3.44Å; S633-A637 PolarHBondContact O-N 3.45Å
634	R	81.4	Confident	84.8	Confident	161 Å²	161	84.7 Å²	84.7	61%	0.608	40%	0.399	S	S	*	.	H	α-helix	trans	-63.6	-39.9	175.6	-73.1	-175.6	-159.8	-167.5	5.7	113.2	H630 R631 N632 N638	H630-R634 PolarHBondContact CD2-NE 2.75Å; H630-R634 VanDerWaalsContact CD2-NE 3.28Å; H630-R634 PolarHBondContact CD2-NH2 3.24Å; H630-R634 PolarHBondContact NE2-NE 2.81Å; H630-R634 PolarHBondContact NE2-NH2 2.94Å; H630-R634 WeakPolarHBondContact O-CG 3.38Å; H630-R634 PolarHBondContact O-N 3.46Å; R631-R634 PolarHBondContact O-N 3.14Å; N632-R634 PolarHBondContact O-N 2.73Å; R634-N638 WeakPolarHBondContact O-CB 3.41Å; R634-N638 PolarHBondContact O-N 3.02Å
635	K	79.3	Confident	84.3	Confident	140 Å²	140	81.6 Å²	81.6	61%	0.609	39%	0.391	S	S	*	.	H	α-helix	trans	-62.7	-51.3	175.5	-73.5	-177.7	177.1	-168.9	0	110.4	R631 N632 S633 A637 N638 D639	R631-K635 WeakPolarHBondContact O-CG 3.4Å; R631-K635 PolarHBondContact O-N 3.4Å; N632-K635 PolarHBondContact O-N 2.89Å; S633-K635 PolarHBondContact O-N 3.08Å; K635-A637 VanDerWaalsContact C-N 3.32Å; K635-A637 PolarHBondContact O-N 3.17Å; K635-N638 WeakPolarHBondContact O-CB 3.45Å; K635-N638 PolarHBondContact O-N 2.93Å; K635-D639 PolarHBondContact O-N 3.44Å
636	L	80	Confident	83.8	Confident	106 Å²	106	82 Å²	82	56%	0.555	39%	0.394	S	S	*	.	H	α-helix	trans	-57.7	-42	176.7	-71.8	165.8	0	0	0	112.6	N632 S633 D639 N640	N632-L636 WeakPolarHBondContact O-CB 3.31Å; N632-L636 WeakPolarHBondContact O-CG 3.42Å; N632-L636 PolarHBondContact O-N 3.46Å; S633-L636 PolarHBondContact O-N 2.91Å; L636-D639 PolarHBondContact O-N 3.01Å; L636-N640 VanDerWaalsContact O-CB 3.24Å; L636-N640 WeakPolarHBondContact O-CB 3.32Å; L636-N640 PolarHBondContact O-N 3.42Å; L636-N640 PolarHBondContact O-OD1 3.44Å
637	A	77.9	Confident	83.3	Confident	26 Å²	26	88.3 Å²	88.3	22%	0.215	42%	0.42	C	S	.	.	H	α-helix	trans	-65.4	-38.3	176.4	0	0	0	0	0	112.3	T142 S633 K635 W641	T142-A637 HydrophobicContact CG2-CB 3.82Å; S633-A637 VanDerWaalsContact O-CB 3.31Å; S633-A637 WeakPolarHBondContact O-CB 3.44Å; S633-A637 PolarHBondContact O-N 3.45Å; K635-A637 VanDerWaalsContact C-N 3.32Å; K635-A637 PolarHBondContact O-N 3.17Å; A637-W641 WeakPolarHBondContact O-CB 3.4Å; A637-W641 PolarHBondContact O-N 3.5Å
638	N	80.5	Confident	83	Confident	96 Å²	96	90.1 Å²	90.1	51%	0.513	43%	0.431	S	S	.	.	H	α-helix	trans	-67.5	-42.8	175.4	-172.4	63	0	0	0	111.6	R634 K635 W641 F642	R634-N638 WeakPolarHBondContact O-CB 3.41Å; R634-N638 PolarHBondContact O-N 3.02Å; K635-N638 WeakPolarHBondContact O-CB 3.45Å; K635-N638 PolarHBondContact O-N 2.93Å; N638-W641 PolarHBondContact O-N 2.65Å; N638-F642 VanDerWaalsContact O-CB 3.31Å; N638-F642 WeakPolarHBondContact O-CB 3.26Å; N638-F642 PolarHBondContact O-N 3.33Å
639	D	79.3	Confident	82.9	Confident	74 Å²	74	91 Å²	91	40%	0.396	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-43.7	177.4	-58.5	-14.8	0	0	0	110.4	K635 L636 W641 F642 T643	K635-D639 PolarHBondContact O-N 3.44Å; L636-D639 PolarHBondContact O-N 3.01Å; D639-W641 PolarHBondContact O-N 3.45Å; D639-F642 PolarHBondContact O-N 3.47Å; D639-T643 WeakPolarHBondContact O-CB 3.33Å; D639-T643 VanDerWaalsContact O-CG2 3.26Å; D639-T643 WeakPolarHBondContact O-CG2 3.19Å; D639-T643 PolarHBondContact O-N 3.27Å; D639-T643 PolarHBondContact O-OG1 3.48Å
640	N	81.4	Confident	82.7	Confident	78 Å²	78	95.6 Å²	95.6	42%	0.417	47%	0.471	S	S	.	.	H	α-helix	trans	-62.4	-41.4	173.9	-77.7	0.1	0	0	0	111.9	L636 T643 K644	L636-N640 VanDerWaalsContact O-CB 3.24Å; L636-N640 WeakPolarHBondContact O-CB 3.32Å; L636-N640 PolarHBondContact O-N 3.42Å; L636-N640 PolarHBondContact O-OD1 3.44Å; N640-T643 WeakPolarHBondContact CA-OG1 3.02Å; N640-T643 PolarHBondContact O-OG1 2.62Å; N640-K644 WeakPolarHBondContact O-CB 3.13Å; N640-K644 PolarHBondContact O-N 2.71Å
641	W	79.1	Confident	82.7	Confident	169 Å²	169	96.8 Å²	96.8	64%	0.64	48%	0.479	S	S	*	.	H	α-helix	trans	-65.1	-44.5	176	176.4	83.4	0	0	0	111.4	A637 N638 D639 K644 A645	A637-W641 WeakPolarHBondContact O-CB 3.4Å; A637-W641 PolarHBondContact O-N 3.5Å; N638-W641 PolarHBondContact O-N 2.65Å; D639-W641 PolarHBondContact O-N 3.45Å; W641-K644 PolarHBondContact O-N 3.03Å; W641-A645 VanDerWaalsContact O-CB 3.28Å; W641-A645 WeakPolarHBondContact O-CB 3.43Å; W641-A645 PolarHBondContact O-N 3.33Å
642	F	79.6	Confident	82.2	Confident	107 Å²	107	97.2 Å²	97.2	47%	0.469	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-46.6	179.8	-173.1	-102.4	0	0	0	111.8	N638 D639 K644 A645 A646 L653	N638-F642 VanDerWaalsContact O-CB 3.31Å; N638-F642 WeakPolarHBondContact O-CB 3.26Å; N638-F642 PolarHBondContact O-N 3.33Å; D639-F642 PolarHBondContact O-N 3.47Å; F642-K644 VanDerWaalsContact C-N 3.34Å; F642-K644 PolarHBondContact O-N 2.81Å; F642-A645 PolarHBondContact O-N 3.39Å; F642-A646 WeakPolarHBondContact O-CB 3.34Å; F642-A646 PolarHBondContact O-N 2.99Å; F642-L653 HydrophobicContact CD1-CD1 4.24Å; F642-L653 HydrophobicContact CD1-CD2 4.15Å; F642-L653 HydrophobicContact CE1-CD1 4.29Å; F642-L653 HydrophobicContact CE1-CD2 3.45Å; F642-L653 VanDerWaalsContact CE1-CD2 3.45Å; F642-L653 HydrophobicContact CZ-CD2 4.1Å
643	T	83	Confident	81.6	Confident	70 Å²	70	98 Å²	98	43%	0.429	50%	0.496	S	S	.	.	H	α-helix	trans	-62.1	-39.9	175.9	51.1	0	0	0	0	112.3	D639 N640 K647 L653	D639-T643 WeakPolarHBondContact O-CB 3.33Å; D639-T643 VanDerWaalsContact O-CG2 3.26Å; D639-T643 WeakPolarHBondContact O-CG2 3.19Å; D639-T643 PolarHBondContact O-N 3.27Å; D639-T643 PolarHBondContact O-OG1 3.48Å; N640-T643 WeakPolarHBondContact CA-OG1 3.02Å; N640-T643 PolarHBondContact O-OG1 2.62Å; T643-K647 WeakPolarHBondContact O-CB 3.4Å; T643-K647 PolarHBondContact O-N 3.29Å; T643-L653 HydrophobicContact CG2-CD1 3.84Å
644	K	81.6	Confident	81.2	Confident	127 Å²	127	101.1 Å²	101.1	55%	0.552	51%	0.509	S	S	*	.	H	α-helix	trans	-67.5	-44.3	174.3	-173.2	177.9	179.4	179.5	0	112.1	N640 W641 F642 K647 D648	N640-K644 WeakPolarHBondContact O-CB 3.13Å; N640-K644 PolarHBondContact O-N 2.71Å; W641-K644 PolarHBondContact O-N 3.03Å; F642-K644 VanDerWaalsContact C-N 3.34Å; F642-K644 PolarHBondContact O-N 2.81Å; K644-K647 PolarHBondContact O-N 3.13Å; K644-D648 WeakPolarHBondContact O-CB 3.32Å; K644-D648 VanDerWaalsContact O-CG 3.31Å; K644-D648 PolarHBondContact O-N 3.46Å
645	A	85.3	Confident	80.2	Confident	38 Å²	38	101.4 Å²	101.4	31%	0.314	52%	0.523	S	S	.	.	H	α-helix	trans	-64	-41.4	178.6	0	0	0	0	0	112	W641 F642 K647 D648 A649	W641-A645 VanDerWaalsContact O-CB 3.28Å; W641-A645 WeakPolarHBondContact O-CB 3.43Å; W641-A645 PolarHBondContact O-N 3.33Å; F642-A645 PolarHBondContact O-N 3.39Å; A645-K647 VanDerWaalsContact C-N 3.34Å; A645-D648 PolarHBondContact O-N 3.17Å; A645-A649 VanDerWaalsContact O-CB 3.26Å; A645-A649 WeakPolarHBondContact O-CB 3.36Å; A645-A649 PolarHBondContact O-N 3.14Å
646	A	85.1	Confident	79	Confident	7 Å²	7	99.8 Å²	99.8	6%	0.058	52%	0.52	C	S	.	.	H	α-helix	trans	-61.5	-44.7	174.1	0	0	0	0	0	111.1	F642 A649 N650 I651 L653	F642-A646 WeakPolarHBondContact O-CB 3.34Å; F642-A646 PolarHBondContact O-N 2.99Å; A646-A649 CarbonylContact O-C 3.58Å; A646-A649 PolarHBondContact O-N 3.19Å; A646-N650 PolarHBondContact O-N 3.45Å; A646-N650 VanDerWaalsContact O-N 3.1Å; A646-I651 HydrophobicContact CB-CB 4.32Å; A646-I651 PolarHBondContact O-N 3.01Å; A646-L653 HydrophobicContact CB-CD1 3.87Å; A646-L653 HydrophobicContact CB-CD2 3.51Å; A646-L653 HydrophobicContact CB-CG 3.57Å
647	K	83.3	Confident	77.3	Confident	162 Å²	162	99.1 Å²	99.1	70%	0.704	52%	0.518	S	S	*	.	H	α-helix	trans	-62.1	-44.8	175.2	-171.5	179.4	-179.9	-178.9	0	112.7	T643 K644 A645 A649 N650	T643-K647 WeakPolarHBondContact O-CB 3.4Å; T643-K647 PolarHBondContact O-N 3.29Å; K644-K647 PolarHBondContact O-N 3.13Å; A645-K647 VanDerWaalsContact C-N 3.34Å; K647-A649 PolarHBondContact O-N 3.49Å; K647-N650 PolarHBondContact O-N 3.15Å; K647-N650 VanDerWaalsContact O-N 3.14Å; K647-N650 PolarHBondContact O-OD1 3.17Å
648	D	86.8	Confident	75.7	Confident	123 Å²	123	102.5 Å²	102.5	66%	0.658	53%	0.532	S	S	*	.	H	α-helix	trans	-65.9	-27.7	177.7	-72.2	-10.9	0	0	0	111.7	K644 A645	K644-D648 WeakPolarHBondContact O-CB 3.32Å; K644-D648 VanDerWaalsContact O-CG 3.31Å; K644-D648 PolarHBondContact O-N 3.46Å; A645-D648 PolarHBondContact O-N 3.17Å
649	A	88.4	Confident	74	Confident	60 Å²	60	107.8 Å²	107.8	50%	0.496	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	1.7	175.1	0	0	0	0	0	114.1	A645 A646 K647 I651	A645-A649 VanDerWaalsContact O-CB 3.26Å; A645-A649 WeakPolarHBondContact O-CB 3.36Å; A645-A649 PolarHBondContact O-N 3.14Å; A646-A649 CarbonylContact O-C 3.58Å; A646-A649 PolarHBondContact O-N 3.19Å; K647-A649 PolarHBondContact O-N 3.49Å; A649-I651 HydrophobicContact CB-CD1 3.68Å; A649-I651 HydrophobicContact CB-CG1 3.77Å; A649-I651 PolarHBondContact O-N 3.48Å
650	N	82.9	Confident	72	Confident	150 Å²	150	109 Å²	109	80%	0.802	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.5	29.5	-169.7	-70.8	-16.6	0	0	0	113.7	A646 K647	A646-N650 PolarHBondContact O-N 3.45Å; A646-N650 VanDerWaalsContact O-N 3.1Å; K647-N650 PolarHBondContact O-N 3.15Å; K647-N650 VanDerWaalsContact O-N 3.14Å; K647-N650 PolarHBondContact O-OD1 3.17Å
651	I	86.9	Confident	69.7	Low	103 Å²	103	111.8 Å²	111.8	53%	0.528	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-84.6	117.8	173.6	-62.2	171.5	0	0	0	106.9	A646 A649 L653	A646-I651 HydrophobicContact CB-CB 4.32Å; A646-I651 PolarHBondContact O-N 3.01Å; A649-I651 HydrophobicContact CB-CD1 3.68Å; A649-I651 HydrophobicContact CB-CG1 3.77Å; A649-I651 PolarHBondContact O-N 3.48Å; I651-L653 PolarHBondContact O-N 3.08Å
652	L	77.7	Confident	67.3	Low	158 Å²	158	111 Å²	111	83%	0.827	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-65.6	117.7	165.6	-67.4	174.7	0	0	0	106.9	D654	L652-D654 PolarHBondContact O-N 3.47Å
653	L	72.4	Confident	65	Low	60 Å²	60	115.3 Å²	115.3	31%	0.314	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-72.6	121	164.9	-66.3	179.8	0	0	0	106.2	F642 T643 A646 I651 D655	F642-L653 HydrophobicContact CD1-CD1 4.24Å; F642-L653 HydrophobicContact CD1-CD2 4.15Å; F642-L653 HydrophobicContact CE1-CD1 4.29Å; F642-L653 HydrophobicContact CE1-CD2 3.45Å; F642-L653 VanDerWaalsContact CE1-CD2 3.45Å; F642-L653 HydrophobicContact CZ-CD2 4.1Å; T643-L653 HydrophobicContact CG2-CD1 3.84Å; A646-L653 HydrophobicContact CB-CD1 3.87Å; A646-L653 HydrophobicContact CB-CD2 3.51Å; A646-L653 HydrophobicContact CB-CG 3.57Å; I651-L653 PolarHBondContact O-N 3.08Å; L653-D655 PolarHBondContact O-N 2.99Å
654	D	73.8	Confident	62.6	Low	108 Å²	108	119 Å²	119	58%	0.578	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-58.2	129.3	169.8	-72.5	-23.2	0	0	0	107.1	L652 D656 D657	L652-D654 PolarHBondContact O-N 3.47Å; D654-D656 PolarHBondContact O-N 3.41Å; D654-D657 PolarHBondContact O-N 3.2Å
655	D	60.2	Low	60.4	Low	168 Å²	168	120.2 Å²	120.2	90%	0.898	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-15.2	177.8	-77.9	-37.7	0	0	0	111.6	L653	L653-D655 PolarHBondContact O-N 2.99Å
656	D	53.3	Low	58.1	Low	105 Å²	105	125.7 Å²	125.7	56%	0.561	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-17	175.5	-83.5	-54.3	0	0	0	115.7	D654 D658 K662	D654-D656 PolarHBondContact O-N 3.41Å; D656-D658 VanDerWaalsContact C-N 3.29Å; D656-D658 PolarHBondContact O-N 3.45Å; D656-K662 WeakPolarHBondContact OD1-CE 3.4Å; D656-K662 IonicContact OD1-NZ 2.65Å; D656-K662 PolarHBondContact OD1-NZ 3.21Å; D656-K662 VanDerWaalsContact OD1-NZ 3.15Å
657	D	44.3	Very low	55.8	Low	93 Å²	93	133.9 Å²	133.9	50%	0.497	68%	0.678	S	S	.	*			trans	-84.4	-0.9	-179.7	-85.3	-15.8	0	0	0	113.2	D654 Y659	D654-D657 PolarHBondContact O-N 3.2Å; D657-Y659 PolarHBondContact O-N 2.78Å
658	D	45.7	Very low	53.3	Low	96 Å²	96	131.2 Å²	131.2	51%	0.513	67%	0.672	S	S	.	*			trans	-71.1	84.6	158.3	-164	3.3	0	0	0	107.9	D656 N660 N661	D656-D658 VanDerWaalsContact C-N 3.29Å; D656-D658 PolarHBondContact O-N 3.45Å; D658-N660 PolarHBondContact O-N 2.86Å; D658-N661 PolarHBondContact O-N 3.47Å
659	Y	43.2	Very low	50.9	Low	207 Å²	207	133.5 Å²	133.5	81%	0.812	68%	0.682	S	S	*	*	S	Bend	trans	-54.4	13.6	177.2	-102.1	-83.6	0	0	0	115.2	D657	D657-Y659 PolarHBondContact O-N 2.78Å
660	N	38.5	Very low	48.4	Very low	101 Å²	101	135.6 Å²	135.6	54%	0.54	69%	0.693	S	S	.	*	S	Bend	trans	-138.8	60	174.2	-62.4	-77.9	0	0	0	111.9	D658	D658-N660 PolarHBondContact O-N 2.86Å
661	N	32.2	Very low	46	Very low	136 Å²	136	138.7 Å²	138.7	73%	0.727	69%	0.694	S	S	*	*			trans	-173.6	71.9	148.2	-86.8	-29.8	0	0	0	111	D658	D658-N661 PolarHBondContact O-N 3.47Å
662	K	28.8	Very low	43.3	Very low	151 Å²	151	139 Å²	139	66%	0.657	69%	0.691	S	S	*	*			trans	-116.4	74	162.9	-90.8	-174.2	174.7	168.3	0	109.8	D656	D656-K662 WeakPolarHBondContact OD1-CE 3.4Å; D656-K662 IonicContact OD1-NZ 2.65Å; D656-K662 PolarHBondContact OD1-NZ 3.21Å; D656-K662 VanDerWaalsContact OD1-NZ 3.15Å
663	F	32	Very low	41.4	Very low	198 Å²	198	142.9 Å²	142.9	87%	0.868	70%	0.695	S	S	*	*			trans	-162.9	95.1	152.3	-78.6	-67.4	0	0	0	105.7
664	D	31.8	Very low	39.4	Very low	148 Å²	148	147.8 Å²	147.8	79%	0.791	72%	0.722	S	S	*	*			trans	175.3	127.1	132.9	-82.5	-19.6	0	0	0	109.3
665	D	36.8	Very low	37.7	Very low	153 Å²	153	146.2 Å²	146.2	82%	0.818	72%	0.719	S	S	*	*			trans	-54.3	167.5	-169.9	-64.2	-51.3	0	0	0	116.4
666	D	36	Very low	36.7	Very low	153 Å²	153	142.4 Å²	142.4	82%	0.818	71%	0.706	S	S	*	*	S	Bend	trans	-38.1	157.2	-176.9	-73.5	-52.1	0	0	0	118.6
667	E	37.8	Very low	36.2	Very low	178 Å²	178	147.1 Å²	147.1	83%	0.832	72%	0.721	S	S	*	*			trans	72.9	74.4	164.2	-62.3	-167.7	164.6	0	0	119
668	N	30.1	Very low	36.3	Very low	106 Å²	106	152.2 Å²	152.2	57%	0.567	74%	0.739	S	S	*	*			trans	-175.8	85.7	136.5	-106.4	-56.8	0	0	0	112.5	S670	N668-S670 PolarHBondContact O-N 3.33Å
669	I	36.8	Very low	36.7	Very low	171 Å²	171	155 Å²	155	88%	0.877	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-18.2	-171.6	-70.4	170	0	0	0	113.9
670	S	35.1	Very low	37.5	Very low	105 Å²	105	152.5 Å²	152.5	73%	0.734	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-17.2	-171.2	59.6	0	0	0	0	116	N668	N668-S670 PolarHBondContact O-N 3.33Å
671	R	31.8	Very low	39.2	Very low	214 Å²	214	150.2 Å²	150.2	81%	0.808	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-9.3	-177.4	-69.3	-177.9	179.9	156.3	0.6	115.3
672	K	31.4	Very low	41.5	Very low	109 Å²	109	148.6 Å²	148.6	47%	0.474	72%	0.724	S	S	.	*	G	3₁₀ helix	trans	-85.1	-9.2	-177.3	-86.6	-179.6	175.1	174.5	0	115.6	N674 S675 S676	K672-N674 PolarHBondContact O-N 3.49Å; K672-S675 PolarHBondContact O-N 3.03Å; K672-S675 VanDerWaalsContact O-N 3.11Å; K672-S675 PolarHBondContact O-OG 3.3Å; K672-S676 PolarHBondContact O-OG 2.9Å
673	R	37.3	Very low	44.3	Very low	241 Å²	241	141.4 Å²	141.4	91%	0.909	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-60.2	-21.1	178.3	-107.8	-176.8	150.9	116.9	0.4	114.2
674	N	30.7	Very low	47	Very low	163 Å²	163	138.2 Å²	138.2	87%	0.872	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-100.4	-8.4	177.2	-77.2	-1.9	0	0	0	115.1	K672	K672-N674 PolarHBondContact O-N 3.49Å
675	S	37.5	Very low	49.9	Very low	75 Å²	75	135.1 Å²	135.1	52%	0.524	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.9	-20.4	-177.9	56.7	0	0	0	0	114.4	K672 K677	K672-S675 PolarHBondContact O-N 3.03Å; K672-S675 VanDerWaalsContact O-N 3.11Å; K672-S675 PolarHBondContact O-OG 3.3Å; S675-K677 PolarHBondContact O-N 3.1Å; S675-K677 VanDerWaalsContact O-N 3.09Å
676	S	40.7	Very low	52.6	Low	88 Å²	88	129.6 Å²	129.6	62%	0.615	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	11.7	-171.8	-45.2	0	0	0	0	116.1	K672	K672-S676 PolarHBondContact O-OG 2.9Å
677	K	42.6	Very low	55.3	Low	204 Å²	204	125 Å²	125	89%	0.887	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	8.1	-179	-83.9	-174.6	178	172.9	0	116.5	S675	S675-K677 PolarHBondContact O-N 3.1Å; S675-K677 VanDerWaalsContact O-N 3.09Å
678	K	44.8	Very low	58	Low	199 Å²	199	121.4 Å²	121.4	87%	0.865	60%	0.596	S	S	*	*			trans	-100.5	63.4	170.5	-75.9	-177.3	-179.1	173	0	111.4	L680	K678-L680 PolarHBondContact O-N 2.68Å; K678-L680 VanDerWaalsContact O-N 3.07Å
679	K	54.5	Low	61.1	Low	154 Å²	154	120.9 Å²	120.9	67%	0.67	59%	0.59	S	S	*	*			trans	-54.7	118.7	157.3	-107.3	174	-179.9	163.3	0	106.4	D681	K679-D681 PolarHBondContact O-N 2.81Å
680	L	60.5	Low	63.9	Low	156 Å²	156	112.7 Å²	112.7	82%	0.817	55%	0.548	S	S	*	.			trans	-59.7	112.1	179.4	-174.8	72.1	0	0	0	107.9	K678 I682	K678-L680 PolarHBondContact O-N 2.68Å; K678-L680 VanDerWaalsContact O-N 3.07Å; L680-I682 PolarHBondContact O-N 3.05Å
681	D	74	Confident	66.8	Low	52 Å²	52	114.7 Å²	114.7	28%	0.278	54%	0.539	S	S	.	.			trans	-64.4	103.7	179.4	175	9.5	0	0	0	109.7	K679 T683 K684	K679-D681 PolarHBondContact O-N 2.81Å; D681-T683 PolarHBondContact O-N 2.84Å; D681-T683 WeakPolarHBondContact OD1-CB 3.36Å; D681-T683 PolarHBondContact OD1-N 3.4Å; D681-T683 PolarHBondContact OD1-OG1 2.7Å; D681-T683 PolarHBondContact OD2-OG1 3.32Å; D681-T683 VanDerWaalsContact OD2-OG1 3.12Å; D681-K684 HydrophobicContact CB-CD 3.94Å; D681-K684 HydrophobicContact CB-CG 3.9Å; D681-K684 WeakPolarHBondContact O-CB 3.29Å; D681-K684 PolarHBondContact O-N 2.9Å
682	I	80.6	Confident	69.8	Low	102 Å²	102	109.9 Å²	109.9	52%	0.523	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-20.6	-179.1	-57.5	165.4	0	0	0	111.5	L680 P685	L680-I682 PolarHBondContact O-N 3.05Å; I682-P685 WeakPolarHBondContact O-CD 3.45Å; I682-P685 WeakPolarHBondContact O-CG 3.5Å
683	T	86.9	Confident	72.8	Confident	1 Å²	1	106.3 Å²	106.3	1%	0.006	51%	0.512	C	S	.	.	H	α-helix	trans	-82.8	-19	-179	74.3	0	0	0	0	113.7	Q628 E629 D681 L686 K687	Q628-T683 HydrophobicContact CB-CG2 4.06Å; Q628-T683 HydrophobicContact CG-CG2 3.87Å; E629-T683 HydrophobicContact CG-CG2 3.84Å; D681-T683 PolarHBondContact O-N 2.84Å; D681-T683 WeakPolarHBondContact OD1-CB 3.36Å; D681-T683 PolarHBondContact OD1-N 3.4Å; D681-T683 PolarHBondContact OD1-OG1 2.7Å; D681-T683 PolarHBondContact OD2-OG1 3.32Å; D681-T683 VanDerWaalsContact OD2-OG1 3.12Å; T683-L686 PolarHBondContact O-N 3.33Å; T683-K687 WeakPolarHBondContact O-CG 3.42Å; T683-K687 PolarHBondContact O-N 3.4Å; T683-K687 PolarHBondContact OG1-NZ 2.91Å
684	K	89.3	Confident	75.5	Confident	130 Å²	130	95.1 Å²	95.1	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-55.3	-50	178.8	-73.7	177.7	177.9	177	0	114.2	D681 L686 K687 L688	D681-K684 HydrophobicContact CB-CD 3.94Å; D681-K684 HydrophobicContact CB-CG 3.9Å; D681-K684 WeakPolarHBondContact O-CB 3.29Å; D681-K684 PolarHBondContact O-N 2.9Å; K684-L686 PolarHBondContact O-N 3.03Å; K684-K687 PolarHBondContact O-N 3.29Å; K684-L688 PolarHBondContact O-N 3.15Å
685	P	92.8	Very high	78.5	Confident	83 Å²	83	93.4 Å²	93.4	54%	0.539	46%	0.459	S	S	.	.	H	α-helix	trans	-60.9	-43.5	178.7	22.3	-34	0	0	0	112.1	I682 K687 L688 E689	I682-P685 WeakPolarHBondContact O-CD 3.45Å; I682-P685 WeakPolarHBondContact O-CG 3.5Å; P685-K687 VanDerWaalsContact C-N 3.35Å; P685-K687 PolarHBondContact O-N 2.83Å; P685-L688 WeakPolarHBondContact O-CB 3.46Å; P685-L688 PolarHBondContact O-N 3.4Å; P685-L688 VanDerWaalsContact O-N 3.15Å; P685-E689 PolarHBondContact O-N 2.95Å
686	L	93.6	Very high	81.2	Confident	38 Å²	38	93.7 Å²	93.7	20%	0.199	46%	0.458	C	S	.	.	H	α-helix	trans	-63	-39.1	178.3	-65.5	173.8	0	0	0	112.4	L621 I625 T683 K684 L688 E689 L690	L621-L686 HydrophobicContact CD2-CD2 4.37Å; I625-L686 HydrophobicContact CD1-CB 4.11Å; I625-L686 HydrophobicContact CG1-CB 3.62Å; I625-L686 HydrophobicContact CG1-CD1 4.33Å; T683-L686 PolarHBondContact O-N 3.33Å; K684-L686 PolarHBondContact O-N 3.03Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L686-E689 PolarHBondContact O-N 3.49Å; L686-L690 WeakPolarHBondContact O-CB 3.29Å; L686-L690 PolarHBondContact O-N 2.61Å
687	K	93.8	Very high	83.7	Confident	57 Å²	57	89.6 Å²	89.6	25%	0.248	43%	0.429	C	S	.	.	H	α-helix	trans	-64.8	-37.9	174.9	-75.2	173.4	178.7	167	0	112.1	I625 E629 T683 K684 P685 R691	I625-K687 HydrophobicContact CD1-CG 3.92Å; I625-K687 HydrophobicContact CG1-CG 4.43Å; I625-K687 HydrophobicContact CG2-CG 4.18Å; E629-K687 WeakPolarHBondContact OE1-CE 3.47Å; E629-K687 IonicContact OE1-NZ 2.84Å; E629-K687 PolarHBondContact OE1-NZ 3.24Å; T683-K687 WeakPolarHBondContact O-CG 3.42Å; T683-K687 PolarHBondContact O-N 3.4Å; T683-K687 PolarHBondContact OG1-NZ 2.91Å; K684-K687 PolarHBondContact O-N 3.29Å; P685-K687 VanDerWaalsContact C-N 3.35Å; P685-K687 PolarHBondContact O-N 2.83Å; K687-R691 WeakPolarHBondContact O-CG 3.5Å; K687-R691 PolarHBondContact O-N 2.94Å; K687-R691 VanDerWaalsContact O-N 3.08Å
688	L	93.8	Very high	85.9	Confident	101 Å²	101	85 Å²	85	53%	0.529	41%	0.407	S	S	.	.	H	α-helix	trans	-68.9	-44.1	176.9	-172.3	129.7	0	0	0	111.2	K684 P685 L686 L690 R691 Q692	K684-L688 PolarHBondContact O-N 3.15Å; P685-L688 WeakPolarHBondContact O-CB 3.46Å; P685-L688 PolarHBondContact O-N 3.4Å; P685-L688 VanDerWaalsContact O-N 3.15Å; L686-L688 VanDerWaalsContact C-N 3.33Å; L688-L690 VanDerWaalsContact C-N 3.35Å; L688-L690 PolarHBondContact O-N 3.49Å; L688-R691 PolarHBondContact O-N 2.79Å; L688-Q692 WeakPolarHBondContact O-CG 3.34Å; L688-Q692 PolarHBondContact O-N 3.09Å
689	E	95.6	Very high	88	Confident	95 Å²	95	77.3 Å²	77.3	44%	0.444	38%	0.383	S	S	.	.	H	α-helix	trans	-57.2	-46.8	173.2	-174.8	-176	169.6	0	0	111.4	L621 P685 L686 R691 Q692 L693	L621-E689 HydrophobicContact CD1-CG 4.02Å; L621-E689 HydrophobicContact CD2-CG 4.49Å; P685-E689 PolarHBondContact O-N 2.95Å; L686-E689 PolarHBondContact O-N 3.49Å; E689-R691 PolarHBondContact O-N 3.13Å; E689-Q692 PolarHBondContact O-N 3.43Å; E689-L693 WeakPolarHBondContact O-CB 3.27Å; E689-L693 PolarHBondContact O-N 2.9Å
690	L	95.7	Very high	89.6	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-59.6	-44.9	176.9	179	56.3	0	0	0	111.9	S478 I618 L621 A622 I625 L686 L688 L693 I694	S478-L690 WeakPolarHBondContact OG-CD2 3.22Å; I618-L690 HydrophobicContact CB-CD1 4.36Å; I618-L690 HydrophobicContact CG1-CD1 4.45Å; I618-L690 HydrophobicContact CG2-CD1 4.07Å; L621-L690 HydrophobicContact CB-CB 4.4Å; L621-L690 HydrophobicContact CB-CD1 4.1Å; L621-L690 HydrophobicContact CD1-CB 4.36Å; L621-L690 HydrophobicContact CD1-CD1 4.38Å; A622-L690 HydrophobicContact CB-CD2 4.29Å; I625-L690 HydrophobicContact CD1-CB 4.29Å; I625-L690 HydrophobicContact CD1-CD2 3.78Å; L686-L690 WeakPolarHBondContact O-CB 3.29Å; L686-L690 PolarHBondContact O-N 2.61Å; L688-L690 VanDerWaalsContact C-N 3.35Å; L688-L690 PolarHBondContact O-N 3.49Å; L690-L693 PolarHBondContact O-N 3.02Å; L690-I694 HydrophobicContact CD1-CD1 4.01Å; L690-I694 HydrophobicContact CD1-CG1 4.33Å; L690-I694 HydrophobicContact CG-CD1 3.93Å; L690-I694 WeakPolarHBondContact O-CD1 3.48Å; L690-I694 VanDerWaalsContact O-CG1 3.22Å; L690-I694 WeakPolarHBondContact O-CG1 3.31Å; L690-I694 PolarHBondContact O-N 3.19Å
691	R	95	Very high	90.8	Very high	147 Å²	147	68.8 Å²	68.8	56%	0.555	34%	0.34	S	S	*	.	H	α-helix	trans	-62.7	-44	177	-76.2	177.1	176.5	-178.7	-1.7	112.3	K687 L688 E689 L693 I694 I695	K687-R691 WeakPolarHBondContact O-CG 3.5Å; K687-R691 PolarHBondContact O-N 2.94Å; K687-R691 VanDerWaalsContact O-N 3.08Å; L688-R691 PolarHBondContact O-N 2.79Å; E689-R691 PolarHBondContact O-N 3.13Å; R691-L693 VanDerWaalsContact C-N 3.34Å; R691-I694 PolarHBondContact O-N 3.37Å; R691-I695 WeakPolarHBondContact O-CG1 3.25Å; R691-I695 PolarHBondContact O-N 3.1Å; R691-I695 VanDerWaalsContact O-N 3.1Å
692	Q	95	Very high	91.1	Very high	113 Å²	113	69.4 Å²	69.4	53%	0.528	34%	0.343	S	S	.	.	H	α-helix	trans	-61.2	-44.8	176.5	-73.1	176.6	-15.8	0	0	111.2	L688 E689 I694 I695 V696	L688-Q692 WeakPolarHBondContact O-CG 3.34Å; L688-Q692 PolarHBondContact O-N 3.09Å; E689-Q692 PolarHBondContact O-N 3.43Å; Q692-I694 VanDerWaalsContact C-N 3.32Å; Q692-I694 PolarHBondContact O-N 3.42Å; Q692-I695 PolarHBondContact O-N 2.89Å; Q692-V696 WeakPolarHBondContact O-CG2 3.5Å; Q692-V696 PolarHBondContact O-N 3.25Å
693	L	94.8	Very high	91.1	Very high	34 Å²	34	73.2 Å²	73.2	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-58.7	-43	176.7	179.2	65.3	0	0	0	111.9	Q617 I618 L621 E689 L690 R691 S697	Q617-L693 HydrophobicContact CB-CD2 3.64Å; I618-L693 HydrophobicContact CG1-CD2 3.74Å; I618-L693 HydrophobicContact CG1-CG 4.14Å; L621-L693 HydrophobicContact CD1-CD2 3.84Å; E689-L693 WeakPolarHBondContact O-CB 3.27Å; E689-L693 PolarHBondContact O-N 2.9Å; L690-L693 PolarHBondContact O-N 3.02Å; R691-L693 VanDerWaalsContact C-N 3.34Å; L693-S697 WeakPolarHBondContact O-CB 3.32Å; L693-S697 PolarHBondContact O-N 3.17Å; L693-S697 PolarHBondContact O-OG 3.5Å
694	I	94.3	Very high	90.3	Very high	6 Å²	6	78.4 Å²	78.4	3%	0.031	38%	0.383	C	S	.	.	H	α-helix	trans	-62.5	-47.6	178.5	-68.7	158.1	0	0	0	110.9	S478 A480 I618 L690 R691 Q692 V696 S697 R698	S478-I694 VanDerWaalsContact O-CD1 3.32Å; S478-I694 WeakPolarHBondContact O-CD1 3.06Å; A480-I694 HydrophobicContact CB-CD1 3.66Å; A480-I694 HydrophobicContact CB-CG1 4.16Å; I618-I694 HydrophobicContact CD1-CG1 4.1Å; I618-I694 HydrophobicContact CG1-CG1 4.33Å; L690-I694 HydrophobicContact CD1-CD1 4.01Å; L690-I694 HydrophobicContact CD1-CG1 4.33Å; L690-I694 HydrophobicContact CG-CD1 3.93Å; L690-I694 WeakPolarHBondContact O-CD1 3.48Å; L690-I694 VanDerWaalsContact O-CG1 3.22Å; L690-I694 WeakPolarHBondContact O-CG1 3.31Å; L690-I694 PolarHBondContact O-N 3.19Å; R691-I694 PolarHBondContact O-N 3.37Å; Q692-I694 VanDerWaalsContact C-N 3.32Å; Q692-I694 PolarHBondContact O-N 3.42Å; I694-V696 PolarHBondContact O-N 3.14Å; I694-S697 PolarHBondContact O-N 3.21Å; I694-R698 VanDerWaalsContact O-CB 3.31Å; I694-R698 WeakPolarHBondContact O-CB 3.49Å; I694-R698 PolarHBondContact O-N 3.04Å
695	I	92.9	Very high	89.2	Confident	126 Å²	126	75.1 Å²	75.1	65%	0.646	37%	0.374	S	S	*	.	H	α-helix	trans	-59.9	-49.3	179.8	-67.4	165.8	0	0	0	110.8	R691 Q692 S697 R698 G699	R691-I695 WeakPolarHBondContact O-CG1 3.25Å; R691-I695 PolarHBondContact O-N 3.1Å; R691-I695 VanDerWaalsContact O-N 3.1Å; Q692-I695 PolarHBondContact O-N 2.89Å; I695-S697 PolarHBondContact O-N 2.94Å; I695-R698 PolarHBondContact O-N 3.49Å; I695-G699 PolarHBondContact O-N 3.43Å
696	V	93.7	Very high	87.4	Confident	81 Å²	81	74.4 Å²	74.4	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-43.8	179.4	172.4	0	0	0	0	111	Q692 I694 G699 K700	Q692-V696 WeakPolarHBondContact O-CG2 3.5Å; Q692-V696 PolarHBondContact O-N 3.25Å; I694-V696 PolarHBondContact O-N 3.14Å; V696-G699 PolarHBondContact O-N 3.4Å; V696-K700 HydrophobicContact CG1-CD 4.4Å; V696-K700 WeakPolarHBondContact O-CG 3.44Å; V696-K700 PolarHBondContact O-N 3.17Å
697	S	92.7	Very high	85.2	Confident	3 Å²	3	75.6 Å²	75.6	2%	0.021	40%	0.403	C	S	.	.	H	α-helix	trans	-66.8	-40.5	-178.8	-63.7	0	0	0	0	112.5	L693 I694 I695 G699 K700 L701	L693-S697 WeakPolarHBondContact O-CB 3.32Å; L693-S697 PolarHBondContact O-N 3.17Å; L693-S697 PolarHBondContact O-OG 3.5Å; I694-S697 PolarHBondContact O-N 3.21Å; I695-S697 PolarHBondContact O-N 2.94Å; S697-G699 VanDerWaalsContact C-N 3.34Å; S697-G699 PolarHBondContact O-N 3.19Å; S697-K700 PolarHBondContact O-N 2.98Å; S697-L701 PolarHBondContact O-N 2.96Å
698	R	90.3	Very high	82.6	Confident	108 Å²	108	81.4 Å²	81.4	41%	0.408	43%	0.431	S	S	.	.	H	α-helix	trans	-58.9	-46.3	175.7	-177	176.6	172.4	-176.6	-3.4	110.8	S482 V483 I694 I695 K700 L701 L702	S482-R698 WeakPolarHBondContact O-CD 3.39Å; V483-R698 HydrophobicContact CG2-CB 4.36Å; I694-R698 VanDerWaalsContact O-CB 3.31Å; I694-R698 WeakPolarHBondContact O-CB 3.49Å; I694-R698 PolarHBondContact O-N 3.04Å; I695-R698 PolarHBondContact O-N 3.49Å; R698-K700 VanDerWaalsContact C-N 3.32Å; R698-K700 PolarHBondContact O-N 3.34Å; R698-L701 PolarHBondContact O-N 3.49Å; R698-L702 HydrophobicContact CG-CD1 3.85Å; R698-L702 HydrophobicContact CG-CG 4.38Å; R698-L702 WeakPolarHBondContact O-CB 3.48Å; R698-L702 WeakPolarHBondContact O-CG 3.36Å; R698-L702 PolarHBondContact O-N 3.44Å
699	G	87.7	Confident	80.4	Confident	36 Å²	36	78.8 Å²	78.8	37%	0.371	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-39.1	176	0	0	0	0	0	113.3	I695 V696 S697 K703	I695-G699 PolarHBondContact O-N 3.43Å; V696-G699 PolarHBondContact O-N 3.4Å; S697-G699 VanDerWaalsContact C-N 3.34Å; S697-G699 PolarHBondContact O-N 3.19Å; G699-K703 WeakPolarHBondContact O-CG 3.37Å; G699-K703 PolarHBondContact O-N 3.1Å
700	K	87.9	Confident	77.6	Confident	122 Å²	122	83.7 Å²	83.7	53%	0.53	44%	0.436	S	S	.	.	H	α-helix	trans	-67.2	-44.7	176.4	-70.8	175.7	-179.2	178.6	0	112.4	V696 S697 R698 K703 L704	V696-K700 HydrophobicContact CG1-CD 4.4Å; V696-K700 WeakPolarHBondContact O-CG 3.44Å; V696-K700 PolarHBondContact O-N 3.17Å; S697-K700 PolarHBondContact O-N 2.98Å; R698-K700 VanDerWaalsContact C-N 3.32Å; R698-K700 PolarHBondContact O-N 3.34Å; K700-K703 PolarHBondContact O-N 2.76Å; K700-L704 PolarHBondContact O-N 3.28Å
701	L	86.8	Confident	74.7	Confident	9 Å²	9	87.7 Å²	87.7	5%	0.047	46%	0.463	C	S	.	.	H	α-helix	trans	-73.4	-35.3	-176.7	-76.9	164.3	0	0	0	113.3	F441 V483 I610 Q611 I614 S697 R698 K703 L704 T705	F441-L701 HydrophobicContact CE1-CD1 4.4Å; F441-L701 HydrophobicContact CZ-CD1 3.91Å; V483-L701 HydrophobicContact CG2-CD1 3.71Å; I610-L701 HydrophobicContact CG2-CD2 4.21Å; Q611-L701 HydrophobicContact CG-CD2 3.8Å; I614-L701 HydrophobicContact CD1-CD1 3.64Å; I614-L701 HydrophobicContact CD1-CD2 4.23Å; I614-L701 HydrophobicContact CD1-CG 3.74Å; I614-L701 HydrophobicContact CG2-CD1 4.29Å; S697-L701 PolarHBondContact O-N 2.96Å; R698-L701 PolarHBondContact O-N 3.49Å; L701-K703 VanDerWaalsContact C-N 3.31Å; L701-K703 PolarHBondContact O-N 2.87Å; L701-L704 HydrophobicContact CD2-CD1 4.47Å; L701-L704 PolarHBondContact O-N 3.42Å; L701-T705 PolarHBondContact O-N 2.94Å; L701-T705 PolarHBondContact O-OG1 3.35Å
702	L	81.1	Confident	71.9	Confident	66 Å²	66	89.1 Å²	89.1	35%	0.346	47%	0.47	S	S	.	.	H	α-helix	trans	-64.1	-34.9	174.7	-74.4	171.7	0	0	0	112.5	R698 T705	R698-L702 HydrophobicContact CG-CD1 3.85Å; R698-L702 HydrophobicContact CG-CG 4.38Å; R698-L702 WeakPolarHBondContact O-CB 3.48Å; R698-L702 WeakPolarHBondContact O-CG 3.36Å; R698-L702 PolarHBondContact O-N 3.44Å; L702-T705 WeakPolarHBondContact CA-OG1 3.47Å; L702-T705 PolarHBondContact O-N 3.15Å; L702-T705 PolarHBondContact O-OG1 3.11Å
703	K	79.5	Confident	68.9	Low	182 Å²	182	92 Å²	92	79%	0.791	48%	0.483	S	S	*	.	H	α-helix	trans	-66.3	-37.2	175.2	-72.4	177.1	-178.5	-173.4	0	112.5	G699 K700 L701	G699-K703 WeakPolarHBondContact O-CG 3.37Å; G699-K703 PolarHBondContact O-N 3.1Å; K700-K703 PolarHBondContact O-N 2.76Å; L701-K703 VanDerWaalsContact C-N 3.31Å; L701-K703 PolarHBondContact O-N 2.87Å
704	L	70.3	Confident	65.9	Low	109 Å²	109	101.2 Å²	101.2	57%	0.571	52%	0.516	S	S	*	.	H	α-helix	trans	-73	-27.2	-179.8	-72.8	162.4	0	0	0	113.3	I610 K700 L701	I610-L704 HydrophobicContact CD1-CD1 3.63Å; I610-L704 HydrophobicContact CD1-CD2 4.34Å; I610-L704 HydrophobicContact CG2-CD1 4Å; K700-L704 PolarHBondContact O-N 3.28Å; L701-L704 HydrophobicContact CD2-CD1 4.47Å; L701-L704 PolarHBondContact O-N 3.42Å
705	T	65.4	Low	62.9	Low	62 Å²	62	106.2 Å²	106.2	38%	0.38	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	4.9	-175	47	0	0	0	0	113.8	L701 L702 G707	L701-T705 PolarHBondContact O-N 2.94Å; L701-T705 PolarHBondContact O-OG1 3.35Å; L702-T705 WeakPolarHBondContact CA-OG1 3.47Å; L702-T705 PolarHBondContact O-N 3.15Å; L702-T705 PolarHBondContact O-OG1 3.11Å; T705-G707 PolarHBondContact O-N 3.07Å; T705-G707 VanDerWaalsContact O-N 3.17Å
706	G	54.8	Low	60.4	Low	67 Å²	67	102.7 Å²	102.7	69%	0.691	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	19.4	174.7	0	0	0	0	0	115	Q708	G706-Q708 PolarHBondContact O-N 3.42Å; G706-Q708 VanDerWaalsContact O-N 3.14Å
707	G	48.5	Very low	57.7	Low	63 Å²	63	105.1 Å²	105.1	65%	0.649	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	1.5	176.2	0	0	0	0	0	116.3	T705 M709	T705-G707 PolarHBondContact O-N 3.07Å; T705-G707 VanDerWaalsContact O-N 3.17Å; G707-M709 PolarHBondContact O-N 3.46Å; G707-M709 VanDerWaalsContact O-N 3.14Å
708	Q	39.8	Very low	55.1	Low	180 Å²	180	109.9 Å²	109.9	84%	0.841	57%	0.566	S	S	*	*			trans	-86.2	79.4	177.7	-70	-151.6	-10.5	0	0	112	G706	G706-Q708 PolarHBondContact O-N 3.42Å; G706-Q708 VanDerWaalsContact O-N 3.14Å
709	M	46.1	Very low	52.8	Low	46 Å²	46	106.8 Å²	106.8	23%	0.227	56%	0.557	C	S	.	*			trans	-139.6	92.8	166.9	-59.4	-170.9	80.3	0	0	109.5	S484 Y486 G707 C711	S484-M709 VanDerWaalsContact O-CE 3.29Å; S484-M709 WeakPolarHBondContact O-CE 3.42Å; Y486-M709 HydrophobicContact CD1-CE 3.91Å; Y486-M709 HydrophobicContact CD2-CE 3.62Å; Y486-M709 HydrophobicContact CE1-CE 3.4Å; Y486-M709 HydrophobicContact CE2-CE 3.09Å; Y486-M709 HydrophobicContact CG-CE 4.01Å; Y486-M709 VanDerWaalsContact OH-CE 3.28Å; Y486-M709 WeakPolarHBondContact OH-CE 3.2Å; G707-M709 PolarHBondContact O-N 3.46Å; G707-M709 VanDerWaalsContact O-N 3.14Å; M709-C711 PolarHBondContact O-N 3.23Å
710	K	36.6	Very low	50.7	Low	197 Å²	197	108.3 Å²	108.3	86%	0.857	56%	0.562	S	S	*	*			trans	-64.7	115.4	177.4	-73.5	-176.1	178.1	179.2	0	109.5
711	C	35.4	Very low	48.7	Very low	84 Å²	84	108.5 Å²	108.5	57%	0.568	56%	0.563	S	S	*	*			trans	-81	128	177.9	-76.1	0	0	0	0	111.1	G485 M709	G485-C711 PolarHBondContact O-SG 2.99Å; M709-C711 PolarHBondContact O-N 3.23Å
712	Y	35.9	Very low	47.1	Very low	177 Å²	177	112.3 Å²	112.3	69%	0.694	59%	0.586	S	S	*	*			trans	-103.6	102.8	158.6	-73.9	-82	0	0	0	108.3	P487	P487-Y712 VanDerWaalsContact CG-O 3.31Å; P487-Y712 WeakPolarHBondContact CG-O 3.2Å
713	Q	31.6	Very low	45.5	Very low	173 Å²	173	115.4 Å²	115.4	81%	0.808	60%	0.597	S	S	*	*			trans	-100.8	108.4	163.2	-72.5	-175.5	-16.4	0	0	107.8
714	R	32.7	Very low	44	Very low	228 Å²	228	110.3 Å²	110.3	86%	0.86	58%	0.578	S	S	*	*			trans	-110	122.4	151.6	-75.4	-169.3	-179.3	-172.9	1.5	107.1	I716	R714-I716 PolarHBondContact O-N 2.75Å
715	P	32	Very low	43.1	Very low	112 Å²	112	111 Å²	111	73%	0.727	58%	0.582	S	S	*	*			trans	-61.7	133.4	169	24.1	-29.9	0	0	0	109	Q717	P715-Q717 PolarHBondContact O-N 3.39Å; P715-Q717 VanDerWaalsContact O-N 3.17Å
716	I	39.5	Very low	42.6	Very low	52 Å²	52	114.5 Å²	114.5	27%	0.267	59%	0.592	S	S	.	*			trans	-74.1	107.6	174.9	-61.6	179.6	0	0	0	106.6	D514 R714 T718	D514-I716 HydrophobicContact CB-CD1 3.71Å; D514-I716 VanDerWaalsContact CG-CD1 3.47Å; D514-I716 WeakPolarHBondContact OD1-CD1 3.42Å; R714-I716 PolarHBondContact O-N 2.75Å; I716-T718 HydrophobicContact CG2-CG2 4.43Å; I716-T718 PolarHBondContact O-N 3.28Å
717	Q	37.1	Very low	42.5	Very low	132 Å²	132	116.6 Å²	116.6	62%	0.617	58%	0.583	S	S	*	*			trans	-77.2	104.2	159.9	-64.7	-179.9	-6	0	0	106.4	P715 L719	P715-Q717 PolarHBondContact O-N 3.39Å; P715-Q717 VanDerWaalsContact O-N 3.17Å; Q717-L719 HydrophobicContact CB-CD2 4.16Å; Q717-L719 HydrophobicContact CB-CG 3.92Å; Q717-L719 PolarHBondContact O-N 3.07Å
718	T	38.8	Very low	42.9	Very low	103 Å²	103	119.5 Å²	119.5	63%	0.632	58%	0.578	S	S	*	*			trans	-65.1	84.8	153.8	45.6	0	0	0	0	106.1	I716 S720	I716-T718 HydrophobicContact CG2-CG2 4.43Å; I716-T718 PolarHBondContact O-N 3.28Å; T718-S720 PolarHBondContact O-N 3.12Å; T718-S720 VanDerWaalsContact O-N 3.15Å
719	L	41.5	Very low	43.3	Very low	42 Å²	42	113.2 Å²	113.2	22%	0.22	56%	0.562	C	S	.	*			trans	-68.3	112.8	168.3	-65.6	166.8	0	0	0	105.3	Q717 K723 L724 E727	Q717-L719 HydrophobicContact CB-CD2 4.16Å; Q717-L719 HydrophobicContact CB-CG 3.92Å; Q717-L719 PolarHBondContact O-N 3.07Å; L719-K723 HydrophobicContact CB-CB 4.12Å; L719-K723 HydrophobicContact CD2-CB 3.59Å; L719-K723 HydrophobicContact CD2-CD 3.81Å; L719-K723 HydrophobicContact CD2-CG 4.32Å; L719-K723 HydrophobicContact CG-CB 4.46Å; L719-L724 HydrophobicContact CB-CD1 4.2Å; L719-L724 HydrophobicContact CB-CG 3.75Å; L719-L724 HydrophobicContact CD1-CD2 4.01Å; L719-L724 HydrophobicContact CD1-CG 4.1Å; L719-E727 WeakPolarHBondContact CD1-OE2 3.46Å
720	S	43.3	Very low	43.3	Very low	68 Å²	68	117.2 Å²	117.2	48%	0.476	59%	0.589	S	S	.	*			trans	-53.1	150.4	162	64.2	0	0	0	0	107.9	T718 V722 K723 L724	T718-S720 PolarHBondContact O-N 3.12Å; T718-S720 VanDerWaalsContact O-N 3.15Å; S720-V722 PolarHBondContact O-N 3.13Å; S720-K723 PolarHBondContact O-N 3.27Å; S720-L724 PolarHBondContact O-N 3.36Å; S720-L724 VanDerWaalsContact O-N 3.14Å
721	K	46.7	Very low	43.4	Very low	127 Å²	127	117.1 Å²	117.1	55%	0.552	60%	0.596	S	S	*	*	H	α-helix	trans	-48.1	-29.8	178.3	-147.6	176.2	-168.8	178.5	0	112.2	D127 L725	D127-K721 IonicContact OD2-NZ 3.57Å; D127-K721 PolarHBondContact OD2-NZ 3.42Å; K721-L725 WeakPolarHBondContact O-CB 3.5Å; K721-L725 WeakPolarHBondContact O-CD1 3.39Å; K721-L725 VanDerWaalsContact O-CG 3.31Å; K721-L725 WeakPolarHBondContact O-CG 3.48Å; K721-L725 PolarHBondContact O-N 3.01Å
722	V	52.9	Low	43.8	Very low	89 Å²	89	118.8 Å²	118.8	54%	0.539	60%	0.597	S	S	.	*	H	α-helix	trans	-67.2	-43.7	175.3	-177.9	0	0	0	0	112.8	S720 L725 K726	S720-V722 PolarHBondContact O-N 3.13Å; V722-L725 PolarHBondContact O-N 2.97Å; V722-K726 PolarHBondContact O-N 3.13Å
723	K	47.8	Very low	44.2	Very low	130 Å²	130	115.7 Å²	115.7	57%	0.565	59%	0.592	S	S	*	*	H	α-helix	trans	-68.9	-39.3	174.7	-84.5	-171.2	173.5	179.6	0	112.1	L719 S720 L725 K726 E727	L719-K723 HydrophobicContact CB-CB 4.12Å; L719-K723 HydrophobicContact CD2-CB 3.59Å; L719-K723 HydrophobicContact CD2-CD 3.81Å; L719-K723 HydrophobicContact CD2-CG 4.32Å; L719-K723 HydrophobicContact CG-CB 4.46Å; S720-K723 PolarHBondContact O-N 3.27Å; K723-L725 VanDerWaalsContact C-N 3.3Å; K723-L725 PolarHBondContact O-N 3.1Å; K723-K726 PolarHBondContact O-N 2.82Å; K723-K726 VanDerWaalsContact O-N 3.14Å; K723-E727 PolarHBondContact O-N 2.87Å
724	L	47	Very low	44.9	Very low	76 Å²	76	112.6 Å²	112.6	40%	0.398	58%	0.58	S	S	.	*	H	α-helix	trans	-58.7	-41.8	172.4	-86.2	159.5	0	0	0	111.8	L719 S720 F728	L719-L724 HydrophobicContact CB-CD1 4.2Å; L719-L724 HydrophobicContact CB-CG 3.75Å; L719-L724 HydrophobicContact CD1-CD2 4.01Å; L719-L724 HydrophobicContact CD1-CG 4.1Å; S720-L724 PolarHBondContact O-N 3.36Å; S720-L724 VanDerWaalsContact O-N 3.14Å; L724-F728 HydrophobicContact CD2-CD2 3.91Å; L724-F728 HydrophobicContact CD2-CE2 3.92Å; L724-F728 WeakPolarHBondContact O-CB 3.39Å; L724-F728 WeakPolarHBondContact O-CD2 3.34Å; L724-F728 PolarHBondContact O-N 2.64Å
725	L	51.4	Low	45.6	Very low	123 Å²	123	105.8 Å²	105.8	64%	0.644	56%	0.564	S	S	*	*	H	α-helix	trans	-70.2	-29.2	176	-78	162.7	0	0	0	113.2	K721 V722 K723 G729	K721-L725 WeakPolarHBondContact O-CB 3.5Å; K721-L725 WeakPolarHBondContact O-CD1 3.39Å; K721-L725 VanDerWaalsContact O-CG 3.31Å; K721-L725 WeakPolarHBondContact O-CG 3.48Å; K721-L725 PolarHBondContact O-N 3.01Å; V722-L725 PolarHBondContact O-N 2.97Å; K723-L725 VanDerWaalsContact C-N 3.3Å; K723-L725 PolarHBondContact O-N 3.1Å; L725-G729 WeakPolarHBondContact O-CA 3.15Å; L725-G729 PolarHBondContact O-N 3.22Å
726	K	55.2	Low	46.4	Very low	136 Å²	136	105.4 Å²	105.4	59%	0.591	55%	0.553	S	S	*	*	H	α-helix	trans	-75.5	-39.8	173.7	-88.2	-172.8	173	-176.5	0	112.5	V722 K723	V722-K726 PolarHBondContact O-N 3.13Å; K723-K726 PolarHBondContact O-N 2.82Å; K723-K726 VanDerWaalsContact O-N 3.14Å
727	E	53.1	Low	46.9	Very low	110 Å²	110	108.9 Å²	108.9	51%	0.514	57%	0.573	S	S	.	*	H	α-helix	trans	-75.4	-36.5	178.6	-84.3	-177.1	156.5	0	0	113.2	L719 K723	L719-E727 WeakPolarHBondContact CD1-OE2 3.46Å; K723-E727 PolarHBondContact O-N 2.87Å
728	F	57.2	Low	47.6	Very low	125 Å²	125	107.3 Å²	107.3	55%	0.548	57%	0.569	S	S	.	*	H	α-helix	trans	-111	-4.5	-174.9	-64.4	-83	0	0	0	114.3	L724 T730	L724-F728 HydrophobicContact CD2-CD2 3.91Å; L724-F728 HydrophobicContact CD2-CE2 3.92Å; L724-F728 WeakPolarHBondContact O-CB 3.39Å; L724-F728 WeakPolarHBondContact O-CD2 3.34Å; L724-F728 PolarHBondContact O-N 2.64Å; F728-T730 VanDerWaalsContact C-N 3.31Å; F728-T730 PolarHBondContact O-N 3.05Å
729	G	47.5	Very low	48.3	Very low	48 Å²	48	107.6 Å²	107.6	50%	0.495	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.9	3.8	179.9	0	0	0	0	0	115.2	L725	L725-G729 WeakPolarHBondContact O-CA 3.15Å; L725-G729 PolarHBondContact O-N 3.22Å
730	T	46	Very low	48.9	Very low	130 Å²	130	113.1 Å²	113.1	80%	0.798	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	8.4	167.9	50.4	0	0	0	0	113.3	F728	F728-T730 VanDerWaalsContact C-N 3.31Å; F728-T730 PolarHBondContact O-N 3.05Å
731	I	38.1	Very low	49.4	Very low	195 Å²	195	117.2 Å²	117.2	100%	1	60%	0.604	S	S	*	*			trans	-100.6	0	163.9	-50.7	174.5	0	0	0	107.5

Retrieved 731 of 731 residues in 1289.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).