PROD_HUMAN Loading...

Proline dehydrogenase 1, mitochondrial

Converts proline to delta-1-pyrroline-5-carboxylate.

AlphaFold DB (A0A087WWM6), UniProt , Accession O43272, Species HUMAN (Homo sapiens, Human), Gene PRODH, Length 600 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	34.3	Very low	32.5	Very low	255 Å²	255	170.4 Å²	170.4	100%	1.256	88%	0.882	S	S	*	*				0	141.2	0	-94.4	-177.2	166.6	0	0	109
2	A	31.3	Very low	32.6	Very low	86 Å²	86	165.4 Å²	165.4	71%	0.711	87%	0.869	S	S	*	*			trans	-94	152	-155.1	0	0	0	0	0	115.2
3	L	32.8	Very low	32.3	Very low	146 Å²	146	163.2 Å²	163.2	76%	0.764	87%	0.873	S	S	*	*			trans	44.5	127.6	138.8	-83.8	120.8	0	0	0	121.6
4	R	30.4	Very low	32.3	Very low	254 Å²	254	162.2 Å²	162.2	96%	0.958	87%	0.865	S	S	*	*				-164.4	146.7	102	-104.1	179.1	-178.2	-155.2	0.8	113.8
5	R	37.2	Very low	32.3	Very low	231 Å²	231	158.5 Å²	158.5	87%	0.872	85%	0.854	S	S	*	*			trans	-84.2	156.8	-172.3	-69.3	169.9	160.7	173.5	-7.1	113.7
6	A	28.2	Very low	32	Very low	103 Å²	103	164.5 Å²	164.5	85%	0.851	86%	0.86	S	S	*	*				164.8	139.2	107.4	0	0	0	0	0	113.3
7	L	29.2	Very low	31.7	Very low	167 Å²	167	166.6 Å²	166.6	87%	0.874	86%	0.861	S	S	*	*			trans	-122.8	178.7	169.1	-89.5	159.9	0	0	0	107.1
8	P	45.7	Very low	31.6	Very low	112 Å²	112	164.8 Å²	164.8	73%	0.727	86%	0.859	S	S	*	*			cis	-133.6	-179.9	-33.6	33.5	-14.3	0	0	0	112.6
9	A	28.1	Very low	31.5	Very low	107 Å²	107	162.7 Å²	162.7	88%	0.884	86%	0.856	S	S	*	*			trans	-140.6	119.3	162.1	0	0	0	0	0	112.2
10	L	30.2	Very low	31.3	Very low	169 Å²	169	163.4 Å²	163.4	89%	0.885	86%	0.86	S	S	*	*			trans	-85.7	147	171.3	-78.2	148.7	0	0	0	110.4
11	R	30.6	Very low	31.1	Very low	244 Å²	244	160.6 Å²	160.6	92%	0.921	85%	0.854	S	S	*	*			trans	-138.6	139.9	156.4	-82.3	-166.7	176	-168.8	-0.2	111.7
12	P	33.4	Very low	30.8	Very low	111 Å²	111	154.7 Å²	154.7	72%	0.721	83%	0.832	S	S	*	*			trans	-100	158.5	-177.9	38.5	-32.5	0	0	0	112.9
13	C	28.2	Very low	30.5	Very low	137 Å²	137	155.2 Å²	155.2	93%	0.926	84%	0.837	S	S	*	*			trans	-116.7	125.7	164.6	-89.3	0	0	0	0	110
14	I	32.6	Very low	30.6	Very low	149 Å²	149	154.5 Å²	154.5	76%	0.764	84%	0.841	S	S	*	*			trans	-111.2	145.2	178.5	-69.2	176.4	0	0	0	108.6
15	P	31.8	Very low	30.6	Very low	106 Å²	106	147.2 Å²	147.2	69%	0.688	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-78.4	149.1	-179.5	32.6	-35	0	0	0	112.6
16	R	28.4	Very low	30.1	Very low	255 Å²	255	142.4 Å²	142.4	96%	0.962	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-92.7	123.7	175.8	-90.3	-177.1	168.6	171.3	-3.4	111.8
17	F	26.8	Very low	30.2	Very low	200 Å²	200	148.6 Å²	148.6	88%	0.877	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-75.3	148.9	167.4	-90.4	-101	0	0	0	112
18	V	30.5	Very low	30.1	Very low	135 Å²	135	148.5 Å²	148.5	82%	0.818	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-96.9	137.2	169.2	177.3	0	0	0	0	108.7
19	P	28.2	Very low	29.1	Very low	124 Å²	124	151.7 Å²	151.7	81%	0.805	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-93	139.2	174.9	33.6	-28.1	0	0	0	112.5
20	L	27.9	Very low	29.3	Very low	177 Å²	177	152.6 Å²	152.6	93%	0.927	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-91.1	137.1	163.5	-103.1	124.9	0	0	0	109.5
21	S	27.1	Very low	29.5	Very low	105 Å²	105	149.4 Å²	149.4	73%	0.734	83%	0.833	S	S	*	*			trans	-153.8	113.5	160.1	-156	0	0	0	0	113.1
22	T	27.4	Very low	29.5	Very low	130 Å²	130	142.6 Å²	142.6	80%	0.798	83%	0.829	S	S	*	*			trans	46.1	123	131.4	64.5	0	0	0	0	123.5
23	A	26.9	Very low	29.3	Very low	98 Å²	98	140.6 Å²	140.6	81%	0.81	83%	0.828	S	S	*	*			trans	-54.1	-179.2	170.6	0	0	0	0	0	116.4
24	P	33.3	Very low	29.4	Very low	131 Å²	131	140.5 Å²	140.5	85%	0.851	83%	0.826	S	S	*	*			cis	-140.8	-171.1	20.3	41	-17.5	0	0	0	118.1
25	A	31.6	Very low	29.4	Very low	101 Å²	101	137.8 Å²	137.8	84%	0.835	83%	0.826	S	S	*	*			trans	-78.1	161.1	-161.7	0	0	0	0	0	118.7
26	S	27	Very low	29.3	Very low	129 Å²	129	137.6 Å²	137.6	90%	0.902	83%	0.833	S	S	*	*			trans	-155.2	152.7	147	55.3	0	0	0	0	111.8
27	R	28.9	Very low	29.6	Very low	233 Å²	233	131.7 Å²	131.7	88%	0.879	83%	0.825	S	S	*	*			trans	-112.9	168.5	-154.1	-158.2	-179.8	-169.9	176.3	1.8	111.7
28	E	27.4	Very low	30	Very low	165 Å²	165	127.7 Å²	127.7	77%	0.771	82%	0.819	S	S	*	*			trans	100.8	99.9	160.2	-60.6	-179.8	173.3	0	0	116.7
29	Q	25.8	Very low	30.1	Very low	180 Å²	180	125.2 Å²	125.2	84%	0.841	82%	0.821	S	S	*	*				97.2	156.4	79.4	-97.9	-168.9	2.6	0	0	111.9
30	P	30.7	Very low	30.2	Very low	125 Å²	125	123 Å²	123	81%	0.812	82%	0.82	S	S	*	*			cis	-134.1	-169.7	-9.6	35.8	-13.2	0	0	0	114.4
31	A	34.9	Very low	30.3	Very low	102 Å²	102	118 Å²	118	84%	0.843	81%	0.811	S	S	*	*			trans	-71.6	154.8	-164.1	0	0	0	0	0	118.9
32	A	29.8	Very low	30.8	Very low	102 Å²	102	118.1 Å²	118.1	84%	0.843	81%	0.813	S	S	*	*			trans	-147.5	134.6	152.4	0	0	0	0	0	109.7
33	G	30	Very low	31.4	Very low	69 Å²	69	116.4 Å²	116.4	71%	0.711	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-69	173.2	-169	0	0	0	0	0	116.2	A35	G33-A35 PolarHBondContact O-N 3.38Å
34	P	31.4	Very low	32.4	Very low	135 Å²	135	117.7 Å²	117.7	88%	0.877	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-76.2	121.8	-172.5	30.7	-31	0	0	0	110.8
35	A	30.7	Very low	33.3	Very low	92 Å²	92	116 Å²	116	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-69.9	130.2	164.5	0	0	0	0	0	109.4	G33 V37	G33-A35 PolarHBondContact O-N 3.38Å; A35-V37 PolarHBondContact O-N 3.39Å
36	A	30.7	Very low	34.6	Very low	101 Å²	101	117.7 Å²	117.7	84%	0.835	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-59.3	125.5	179.4	0	0	0	0	0	111.7
37	V	34.9	Very low	36.7	Very low	131 Å²	131	119 Å²	119	79%	0.794	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-88	129.8	166	179.5	0	0	0	0	107.7	A35 G39	A35-V37 PolarHBondContact O-N 3.39Å; V37-G39 PolarHBondContact O-N 3.46Å
38	P	34.5	Very low	38.8	Very low	117 Å²	117	112.3 Å²	112.3	76%	0.76	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-65.1	133.9	180	-14.9	28.7	0	0	0	110.6	G40	P38-G40 PolarHBondContact O-N 3.1Å
39	G	33.8	Very low	41	Very low	82 Å²	82	110 Å²	110	85%	0.845	78%	0.777	S	S	*	*			trans	-58.9	105.2	176.8	0	0	0	0	0	111.9	V37 G41	V37-G39 PolarHBondContact O-N 3.46Å; G39-G41 PolarHBondContact O-N 3.4Å; G39-G41 VanDerWaalsContact O-N 3.15Å
40	G	29.1	Very low	43.2	Very low	77 Å²	77	103.7 Å²	103.7	79%	0.794	75%	0.751	S	S	*	*			trans	-73.4	93.4	159.4	0	0	0	0	0	108.3	P38 S42	P38-G40 PolarHBondContact O-N 3.1Å; G40-S42 PolarHBondContact O-N 3.29Å
41	G	29.8	Very low	45.3	Very low	72 Å²	72	100.9 Å²	100.9	74%	0.742	73%	0.732	S	S	*	*			trans	-54.9	122.9	164.2	0	0	0	0	0	108.2	G39 A43	G39-G41 PolarHBondContact O-N 3.4Å; G39-G41 VanDerWaalsContact O-N 3.15Å; G41-A43 VanDerWaalsContact C-N 3.34Å; G41-A43 PolarHBondContact O-N 3.46Å
42	S	37.8	Very low	47.7	Very low	109 Å²	109	100.9 Å²	100.9	76%	0.762	73%	0.733	S	S	*	*			trans	-62.6	103.1	168.6	56.2	0	0	0	0	106.9	G40 T44	G40-S42 PolarHBondContact O-N 3.29Å; S42-T44 VanDerWaalsContact C-N 3.27Å; S42-T44 PolarHBondContact O-N 3.03Å
43	A	41.3	Very low	50.6	Low	94 Å²	94	97 Å²	97	78%	0.777	70%	0.699	S	S	*	*			trans	-60.9	100.3	164	0	0	0	0	0	106	G41 A45	G41-A43 VanDerWaalsContact C-N 3.34Å; G41-A43 PolarHBondContact O-N 3.46Å; A43-A45 VanDerWaalsContact C-N 3.34Å; A43-A45 PolarHBondContact O-N 3.01Å
44	T	46.3	Very low	53.6	Low	125 Å²	125	98.1 Å²	98.1	77%	0.767	69%	0.688	S	S	*	*			trans	-53.3	105.3	162.7	14.2	0	0	0	0	105.7	S42 V46	S42-T44 VanDerWaalsContact C-N 3.27Å; S42-T44 PolarHBondContact O-N 3.03Å; T44-V46 PolarHBondContact O-N 3.1Å
45	A	52	Low	56.6	Low	94 Å²	94	91.7 Å²	91.7	78%	0.777	65%	0.646	S	S	*	*			trans	-56.3	106.1	175.4	0	0	0	0	0	107.2	A43 R47	A43-A45 VanDerWaalsContact C-N 3.34Å; A43-A45 PolarHBondContact O-N 3.01Å; A45-R47 PolarHBondContact O-N 3.01Å
46	V	60.9	Low	59.5	Low	138 Å²	138	89 Å²	89	84%	0.836	63%	0.628	S	S	*	*			trans	-60.4	112.1	178.8	178.2	0	0	0	0	106.1	T44	T44-V46 PolarHBondContact O-N 3.1Å
47	R	69.3	Low	62.5	Low	157 Å²	157	87 Å²	87	59%	0.592	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-56	135.7	175.8	-75.9	-177.1	175.4	-164.1	-5.8	107.8	A45 D519	A45-R47 PolarHBondContact O-N 3.01Å; R47-D519 IonicContact CZ-OD1 2.75Å; R47-D519 IonicContact NH1-OD1 2.89Å; R47-D519 PolarHBondContact NH1-OD1 2.9Å; R47-D519 IonicContact NH1-OD2 3.55Å; R47-D519 IonicContact NH2-OD1 3.43Å
48	P	74.3	Confident	65.3	Low	91 Å²	91	81.4 Å²	81.4	59%	0.591	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-57.4	146	179.4	23.5	-32	0	0	0	109.9
49	P	73.9	Confident	68	Low	118 Å²	118	80.2 Å²	80.2	77%	0.766	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-61.3	145.1	178	26.3	-33.3	0	0	0	109.9
50	V	72.1	Confident	70.8	Confident	47 Å²	47	79.3 Å²	79.3	29%	0.285	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-63	126.2	178.1	-178.5	0	0	0	0	108.8	A52 P517 Y543	V50-A52 PolarHBondContact O-N 3.19Å; V50-P517 HydrophobicContact CG1-CG 3.95Å; V50-Y543 HydrophobicContact CG1-CE2 4.24Å; V50-Y543 WeakPolarHBondContact CG1-OH 3.25Å
51	P	74.4	Confident	73.8	Confident	65 Å²	65	75.6 Å²	75.6	42%	0.422	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-65.2	131	-177.2	-19.8	31.4	0	0	0	111.5	A541	P51-A541 HydrophobicContact CB-CB 4.19Å
52	A	84.4	Confident	76.9	Confident	103 Å²	103	72.2 Å²	72.2	85%	0.851	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-64.2	135.8	173.2	0	0	0	0	0	110.6	V50	V50-A52 PolarHBondContact O-N 3.19Å
53	V	91.9	Very high	79.4	Confident	21 Å²	21	72.9 Å²	72.9	13%	0.127	44%	0.441	C	S	.	.			trans	-106.9	117.7	-178.4	-172	0	0	0	0	110.3	F55 L507 P537 L538 A541 Y543	V53-F55 HydrophobicContact CB-CE1 4.41Å; V53-F55 HydrophobicContact CB-CZ 4.42Å; V53-F55 HydrophobicContact CG1-CD1 3.88Å; V53-F55 HydrophobicContact CG1-CE1 3.39Å; V53-F55 HydrophobicContact CG1-CZ 3.84Å; V53-L507 HydrophobicContact CB-CD1 4.32Å; V53-L507 HydrophobicContact CG2-CD1 4.42Å; V53-P537 HydrophobicContact CG1-CB 3.7Å; V53-L538 HydrophobicContact CG1-CD2 4.39Å; V53-L538 HydrophobicContact CG2-CD2 4.31Å; V53-A541 HydrophobicContact CG2-CB 3.67Å; V53-Y543 HydrophobicContact CG2-CD2 4.26Å; V53-Y543 HydrophobicContact CG2-CE2 3.73Å
54	D	92.2	Very high	81.8	Confident	92 Å²	92	68.4 Å²	68.4	49%	0.492	40%	0.404	S	S	.	.			trans	-100.9	100.6	175.6	-178.8	19	0	0	0	112.1	G56 N57	D54-G56 PolarHBondContact O-N 3.37Å; D54-G56 WeakPolarHBondContact OD1-CA 3.1Å; D54-G56 PolarHBondContact OD1-N 2.99Å; D54-N57 HydrophobicContact CB-CB 4.44Å; D54-N57 PolarHBondContact O-N 3.29Å; D54-N57 PolarHBondContact OD2-N 3.49Å
55	F	93.3	Very high	84	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-4	173.6	-55.5	-50.2	0	0	0	114.2	V53 E500 V503 R504 L507 Q533 I534 P537 L538 L581	V53-F55 HydrophobicContact CB-CE1 4.41Å; V53-F55 HydrophobicContact CB-CZ 4.42Å; V53-F55 HydrophobicContact CG1-CD1 3.88Å; V53-F55 HydrophobicContact CG1-CE1 3.39Å; V53-F55 HydrophobicContact CG1-CZ 3.84Å; F55-E500 HydrophobicContact CB-CG 4.28Å; F55-E500 HydrophobicContact CD2-CG 3.49Å; F55-E500 VanDerWaalsContact CD2-CG 3.49Å; F55-E500 HydrophobicContact CE2-CG 4.14Å; F55-E500 HydrophobicContact CG-CG 4.12Å; F55-V503 HydrophobicContact CE2-CG1 4.03Å; F55-V503 HydrophobicContact CZ-CG1 3.63Å; F55-R504 HydrophobicContact CD2-CG 4.12Å; F55-R504 HydrophobicContact CE2-CG 3.86Å; F55-L507 HydrophobicContact CE2-CD1 4.26Å; F55-L507 HydrophobicContact CZ-CD1 4.01Å; F55-Q533 VanDerWaalsContact CD1-O 3.3Å; F55-Q533 WeakPolarHBondContact CD1-O 3.42Å; F55-I534 HydrophobicContact CE1-CB 4.44Å; F55-I534 HydrophobicContact CE1-CG2 4.13Å; F55-I534 HydrophobicContact CZ-CG2 4.38Å; F55-P537 HydrophobicContact CD1-CB 4.33Å; F55-L538 HydrophobicContact CE1-CD2 4.36Å; F55-L538 HydrophobicContact CE1-CG 3.96Å; F55-L538 HydrophobicContact CZ-CD2 4.11Å; F55-L538 HydrophobicContact CZ-CG 4.13Å; F55-L581 WeakPolarHBondContact O-CD1 3.34Å
56	G	92.6	Very high	85.9	Confident	36 Å²	36	65.1 Å²	65.1	37%	0.371	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.7	173.7	0	0	0	0	0	114	D54 A58 L581	D54-G56 PolarHBondContact O-N 3.37Å; D54-G56 WeakPolarHBondContact OD1-CA 3.1Å; D54-G56 PolarHBondContact OD1-N 2.99Å; G56-A58 PolarHBondContact O-N 3.34Å; G56-A58 VanDerWaalsContact O-N 3.12Å; G56-L581 WeakPolarHBondContact O-CD2 3.21Å
57	N	93.4	Very high	87.5	Confident	59 Å²	59	59.2 Å²	59.2	32%	0.316	32%	0.322	S	S	.	.			trans	-80.6	96.2	-177.3	-171.8	-25.3	0	0	0	111.6	D54 Q59 E60 A61	D54-N57 HydrophobicContact CB-CB 4.44Å; D54-N57 PolarHBondContact O-N 3.29Å; D54-N57 PolarHBondContact OD2-N 3.49Å; N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3Å; N57-Q59 WeakPolarHBondContact OD1-CB 3.24Å; N57-Q59 PolarHBondContact OD1-N 3.13Å; N57-E60 HydrophobicContact CB-CB 4.29Å; N57-E60 WeakPolarHBondContact ND2-CG 3.46Å; N57-E60 PolarHBondContact O-N 3.15Å; N57-E60 PolarHBondContact OD1-N 3.46Å; N57-E60 VanDerWaalsContact OD1-N 3.11Å; N57-A61 VanDerWaalsContact O-CB 3.26Å; N57-A61 WeakPolarHBondContact O-CB 3.46Å; N57-A61 PolarHBondContact O-N 3.23Å
58	A	93.4	Very high	88.6	Confident	12 Å²	12	57.9 Å²	57.9	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-60.1	-32.1	179.3	0	0	0	0	0	113.7	G56 Y62 L581 L584 E585	G56-A58 PolarHBondContact O-N 3.34Å; G56-A58 VanDerWaalsContact O-N 3.12Å; A58-Y62 VanDerWaalsContact O-CD2 3.25Å; A58-Y62 WeakPolarHBondContact O-CD2 3.33Å; A58-Y62 PolarHBondContact O-N 2.79Å; A58-L581 HydrophobicContact CB-CB 4.24Å; A58-L581 HydrophobicContact CB-CD2 4.01Å; A58-L581 WeakPolarHBondContact CB-O 3.39Å; A58-L584 HydrophobicContact CB-CB 4.13Å; A58-E585 HydrophobicContact CB-CB 4.18Å
59	Q	92.8	Very high	89.5	Confident	92 Å²	92	54.6 Å²	54.6	43%	0.43	29%	0.294	S	S	.	.	H	α-helix	trans	-69.5	-48.2	-179.6	177.7	177	-18.6	0	0	111.1	N57 Y62 R63 E585	N57-Q59 VanDerWaalsContact C-N 3.26Å; N57-Q59 PolarHBondContact O-N 3Å; N57-Q59 WeakPolarHBondContact OD1-CB 3.24Å; N57-Q59 PolarHBondContact OD1-N 3.13Å; Q59-Y62 PolarHBondContact O-N 3.42Å; Q59-R63 WeakPolarHBondContact O-CA 3.14Å; Q59-R63 WeakPolarHBondContact O-CB 3.24Å; Q59-R63 PolarHBondContact O-N 3.34Å; Q59-E585 WeakPolarHBondContact CA-OE2 3.42Å
60	E	91	Very high	90.5	Very high	63 Å²	63	49 Å²	49	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-67.8	-40	177.4	-69.3	-58.6	142.8	0	0	111.6	N57 Y62 R63 Q540	N57-E60 HydrophobicContact CB-CB 4.29Å; N57-E60 WeakPolarHBondContact ND2-CG 3.46Å; N57-E60 PolarHBondContact O-N 3.15Å; N57-E60 PolarHBondContact OD1-N 3.46Å; N57-E60 VanDerWaalsContact OD1-N 3.11Å; E60-Y62 PolarHBondContact O-N 3.21Å; E60-R63 PolarHBondContact O-N 3.17Å; E60-R63 IonicContact OE2-NH1 3.07Å; E60-Q540 PolarHBondContact O-NE2 3.33Å; E60-Q540 PolarHBondContact OE2-OE1 3.01Å
61	A	92.6	Very high	91.5	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-54.3	-38.1	176.4	0	0	0	0	0	113.5	N57 Q533 P537	N57-A61 VanDerWaalsContact O-CB 3.26Å; N57-A61 WeakPolarHBondContact O-CB 3.46Å; N57-A61 PolarHBondContact O-N 3.23Å; A61-Q533 HydrophobicContact CB-CB 3.91Å; A61-P537 HydrophobicContact CB-CG 4.18Å
62	Y	94.2	Very high	92.5	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	15.8	-172.4	-62.1	-59.9	0	0	0	113.6	A58 Q59 E60 S64 R65 L70 D532 Q533 L581 L582 E585 R589	A58-Y62 VanDerWaalsContact O-CD2 3.25Å; A58-Y62 WeakPolarHBondContact O-CD2 3.33Å; A58-Y62 PolarHBondContact O-N 2.79Å; Q59-Y62 PolarHBondContact O-N 3.42Å; E60-Y62 PolarHBondContact O-N 3.21Å; Y62-S64 PolarHBondContact O-N 3.35Å; Y62-R65 HydrophobicContact CD1-CG 4.28Å; Y62-R65 PolarHBondContact O-N 2.82Å; Y62-L70 HydrophobicContact CD1-CD2 3.95Å; Y62-L70 HydrophobicContact CG-CD2 3.88Å; Y62-D532 HydrophobicContact CD1-CB 4.32Å; Y62-D532 HydrophobicContact CE1-CB 3.77Å; Y62-Q533 PolarHBondContact OH-OE1 3.21Å; Y62-L581 HydrophobicContact CE2-CB 3.75Å; Y62-L582 HydrophobicContact CD1-CD2 3.79Å; Y62-L582 HydrophobicContact CD2-CD2 4.3Å; Y62-L582 HydrophobicContact CE1-CD2 3.34Å; Y62-L582 HydrophobicContact CE1-CG 3.97Å; Y62-L582 HydrophobicContact CE2-CB 4.47Å; Y62-L582 HydrophobicContact CE2-CD2 3.93Å; Y62-L582 HydrophobicContact CE2-CG 4.04Å; Y62-L582 HydrophobicContact CG-CD2 4.26Å; Y62-L582 VanDerWaalsContact CZ-CD2 3.46Å; Y62-E585 HydrophobicContact CD2-CB 4.01Å; Y62-E585 HydrophobicContact CD2-CG 4.43Å; Y62-R589 PolarHBondContact O-NH2 2.85Å
63	R	91.6	Very high	92.9	Very high	123 Å²	123	42.9 Å²	42.9	46%	0.464	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.8	176.4	-176.6	177.8	175.8	170.1	-3.3	112.2	Q59 E60 R65 F136 H597	Q59-R63 WeakPolarHBondContact O-CA 3.14Å; Q59-R63 WeakPolarHBondContact O-CB 3.24Å; Q59-R63 PolarHBondContact O-N 3.34Å; E60-R63 PolarHBondContact O-N 3.17Å; E60-R63 IonicContact OE2-NH1 3.07Å; R63-R65 VanDerWaalsContact C-N 3.27Å; R63-R65 PolarHBondContact O-N 3.47Å; R63-F136 HydrophobicContact CG-CE1 4.29Å; R63-H597 PolarHBondContact O-NE2 3.19Å
64	S	91.1	Very high	93	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-11.6	178.2	68	0	0	0	0	114	Y62 H132 F536 P599	Y62-S64 PolarHBondContact O-N 3.35Å; S64-H132 PolarHBondContact O-CE1 2.87Å; S64-H132 PolarHBondContact O-NE2 2.8Å; S64-F536 VanDerWaalsContact OG-CD1 3.31Å; S64-F536 WeakPolarHBondContact OG-CD1 3.39Å; S64-F536 WeakPolarHBondContact OG-CE1 3.48Å; S64-F536 WeakPolarHBondContact OG-CZ 3.37Å; S64-P599 WeakPolarHBondContact O-CG 3.47Å
65	R	92	Very high	93.1	Very high	15 Å²	15	42.1 Å²	42.1	6%	0.057	21%	0.205	C	C	.	.	S	Bend	trans	-102.3	144.2	-172.8	-64.3	-62.4	-168.7	-173.3	-3.9	112.3	Y62 R63 E69 L70 Y133 D532 R589 H597	Y62-R65 HydrophobicContact CD1-CG 4.28Å; Y62-R65 PolarHBondContact O-N 2.82Å; R63-R65 VanDerWaalsContact C-N 3.27Å; R63-R65 PolarHBondContact O-N 3.47Å; R65-E69 WeakPolarHBondContact CA-OE2 3.29Å; R65-L70 HydrophobicContact CB-CD2 3.74Å; R65-L70 HydrophobicContact CB-CG 4.41Å; R65-L70 HydrophobicContact CG-CD2 4.27Å; R65-Y133 PolarHBondContact NH1-OH 2.94Å; R65-Y133 PolarHBondContact NH2-OH 3.31Å; R65-D532 IonicContact CZ-OD2 2.76Å; R65-D532 IonicContact NE-OD2 3.77Å; R65-D532 PolarHBondContact NE-OD2 3.12Å; R65-D532 IonicContact NH2-OD1 3.67Å; R65-D532 IonicContact NH2-OD2 3.69Å; R65-D532 PolarHBondContact NH2-OD2 3.24Å; R65-R589 VanDerWaalsContact O-CZ 3.3Å; R65-R589 PolarHBondContact O-NH1 2.72Å; R65-R589 PolarHBondContact O-NH2 3.31Å; R65-H597 PolarHBondContact O-CD2 3.38Å; R65-H597 VanDerWaalsContact O-CD2 3.26Å
66	R	93.1	Very high	93	Very high	134 Å²	134	42.1 Å²	42.1	51%	0.506	21%	0.205	S	C	.	.			trans	-78.1	155.4	168.5	-61	176.9	-176.8	-174.6	4.7	110.6	W68 E69 L70 R589 P599	R66-W68 VanDerWaalsContact C-N 3.29Å; R66-W68 PolarHBondContact O-N 2.94Å; R66-E69 HydrophobicContact CB-CG 4.13Å; R66-E69 PolarHBondContact N-OE2 3.35Å; R66-E69 WeakPolarHBondContact O-CB 3.42Å; R66-E69 PolarHBondContact O-N 3.26Å; R66-L70 PolarHBondContact O-N 3.19Å; R66-R589 VanDerWaalsContact C-NH1 3.33Å; R66-P599 HydrophobicContact CG-CG 4.35Å
67	T	93.4	Very high	92.9	Very high	15 Å²	15	40.4 Å²	40.4	9%	0.092	19%	0.187	C	C	.	.	H	α-helix	trans	-60.2	-38.3	-176	-50.1	0	0	0	0	112.9	E69 L70 A71 L586 R589 L595	T67-E69 VanDerWaalsContact C-N 3.28Å; T67-E69 PolarHBondContact O-N 3.08Å; T67-L70 WeakPolarHBondContact O-CB 3.4Å; T67-L70 PolarHBondContact O-N 2.93Å; T67-A71 PolarHBondContact O-N 2.91Å; T67-A71 VanDerWaalsContact O-N 3.16Å; T67-L586 HydrophobicContact CG2-CD1 3.67Å; T67-R589 VanDerWaalsContact N-NH1 3.16Å; T67-R589 WeakPolarHBondContact OG1-CD 3.18Å; T67-R589 PolarHBondContact OG1-NH1 3.4Å; T67-L595 WeakPolarHBondContact CB-O 3.34Å; T67-L595 HydrophobicContact CG2-CD2 4.34Å; T67-L595 PolarHBondContact OG1-O 2.8Å
68	W	92.5	Very high	92.7	Very high	128 Å²	128	44.6 Å²	44.6	49%	0.485	20%	0.199	S	C	.	.	H	α-helix	trans	-67.2	-29.7	176.6	76.4	-96	0	0	0	112.4	R66 L70 A71 R72	R66-W68 VanDerWaalsContact C-N 3.29Å; R66-W68 PolarHBondContact O-N 2.94Å; W68-L70 VanDerWaalsContact C-N 3.34Å; W68-A71 PolarHBondContact O-N 2.87Å; W68-R72 HydrophobicContact CE3-CB 4.44Å; W68-R72 HydrophobicContact CZ3-CB 4.47Å; W68-R72 VanDerWaalsContact CZ3-CZ 3.42Å; W68-R72 WeakPolarHBondContact O-CB 3.37Å; W68-R72 PolarHBondContact O-N 2.88Å
69	E	93.6	Very high	92.5	Very high	22 Å²	22	46.1 Å²	46.1	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-70.5	-34.2	176.6	-62.3	178.3	123.5	0	0	111.1	R65 R66 T67 R72 S73	R65-E69 WeakPolarHBondContact CA-OE2 3.29Å; R66-E69 HydrophobicContact CB-CG 4.13Å; R66-E69 PolarHBondContact N-OE2 3.35Å; R66-E69 WeakPolarHBondContact O-CB 3.42Å; R66-E69 PolarHBondContact O-N 3.26Å; T67-E69 VanDerWaalsContact C-N 3.28Å; T67-E69 PolarHBondContact O-N 3.08Å; E69-R72 PolarHBondContact O-N 2.67Å; E69-R72 IonicContact OE1-NH2 3.72Å; E69-S73 WeakPolarHBondContact O-CB 3.13Å; E69-S73 PolarHBondContact O-N 2.8Å; E69-S73 PolarHBondContact O-OG 3.31Å
70	L	94	Very high	92.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-64	-46.4	171.9	-55.3	-178.2	0	0	0	110.9	Y62 R65 R66 T67 W68 R72 S73 L74 L582 E585	Y62-L70 HydrophobicContact CD1-CD2 3.95Å; Y62-L70 HydrophobicContact CG-CD2 3.88Å; R65-L70 HydrophobicContact CB-CD2 3.74Å; R65-L70 HydrophobicContact CB-CG 4.41Å; R65-L70 HydrophobicContact CG-CD2 4.27Å; R66-L70 PolarHBondContact O-N 3.19Å; T67-L70 WeakPolarHBondContact O-CB 3.4Å; T67-L70 PolarHBondContact O-N 2.93Å; W68-L70 VanDerWaalsContact C-N 3.34Å; L70-R72 PolarHBondContact O-N 2.83Å; L70-S73 PolarHBondContact O-N 3.34Å; L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 WeakPolarHBondContact O-CG 3.45Å; L70-L74 PolarHBondContact O-N 2.9Å; L70-L582 HydrophobicContact CD2-CD2 3.67Å; L70-E585 HydrophobicContact CD1-CB 4.26Å; L70-E585 HydrophobicContact CD1-CG 3.58Å
71	A	94.4	Very high	92	Very high	47 Å²	47	40.2 Å²	40.2	39%	0.388	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-44.1	176.7	0	0	0	0	0	111.9	T67 W68 L74 L75	T67-A71 PolarHBondContact O-N 2.91Å; T67-A71 VanDerWaalsContact O-N 3.16Å; W68-A71 PolarHBondContact O-N 2.87Å; A71-L74 PolarHBondContact O-N 3.33Å; A71-L75 WeakPolarHBondContact O-CB 3.25Å; A71-L75 PolarHBondContact O-N 3.21Å
72	R	95.1	Very high	91.8	Very high	30 Å²	30	47.4 Å²	47.4	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-47.8	173.6	176.8	178.7	61.7	176.9	2.4	111.5	W68 E69 L70 L75 V76 M111 G115	W68-R72 HydrophobicContact CE3-CB 4.44Å; W68-R72 HydrophobicContact CZ3-CB 4.47Å; W68-R72 VanDerWaalsContact CZ3-CZ 3.42Å; W68-R72 WeakPolarHBondContact O-CB 3.37Å; W68-R72 PolarHBondContact O-N 2.88Å; E69-R72 PolarHBondContact O-N 2.67Å; E69-R72 IonicContact OE1-NH2 3.72Å; L70-R72 PolarHBondContact O-N 2.83Å; R72-L75 WeakPolarHBondContact O-CB 3.4Å; R72-L75 PolarHBondContact O-N 3.26Å; R72-V76 HydrophobicContact CG-CG2 4.33Å; R72-V76 WeakPolarHBondContact O-CG2 3.36Å; R72-V76 PolarHBondContact O-N 2.88Å; R72-M111 WeakPolarHBondContact CD-O 3.5Å; R72-M111 WeakPolarHBondContact CG-O 3.41Å; R72-G115 VanDerWaalsContact NH1-C 3.25Å; R72-G115 PolarHBondContact NH1-O 3.31Å; R72-G115 PolarHBondContact NH2-O 3.48Å
73	S	93.6	Very high	91.3	Very high	10 Å²	10	52.1 Å²	52.1	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-44.1	-178.6	-55.3	0	0	0	0	111.1	E69 L70 L75 V76 L77 H116	E69-S73 WeakPolarHBondContact O-CB 3.13Å; E69-S73 PolarHBondContact O-N 2.8Å; E69-S73 PolarHBondContact O-OG 3.31Å; L70-S73 PolarHBondContact O-N 3.34Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 2.84Å; S73-V76 PolarHBondContact O-N 3.48Å; S73-L77 WeakPolarHBondContact O-CB 3.44Å; S73-L77 VanDerWaalsContact O-CG 3.26Å; S73-L77 WeakPolarHBondContact O-CG 3.36Å; S73-L77 PolarHBondContact O-N 3.07Å; S73-H116 PolarHBondContact OG-ND1 2.92Å
74	L	93.1	Very high	91	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-41.8	174	-77.9	166.6	0	0	0	112.7	L70 A71 R78 R579 L582 W583 L586	L70-L74 WeakPolarHBondContact O-CB 3.43Å; L70-L74 WeakPolarHBondContact O-CG 3.45Å; L70-L74 PolarHBondContact O-N 2.9Å; A71-L74 PolarHBondContact O-N 3.33Å; L74-R78 WeakPolarHBondContact O-CB 3.47Å; L74-R78 VanDerWaalsContact O-CG 3.22Å; L74-R78 WeakPolarHBondContact O-CG 3.08Å; L74-R78 PolarHBondContact O-N 2.71Å; L74-R78 VanDerWaalsContact O-N 3.08Å; L74-R579 HydrophobicContact CD2-CB 4.45Å; L74-R579 WeakPolarHBondContact CD2-O 3.45Å; L74-L582 HydrophobicContact CD1-CB 4.27Å; L74-L582 HydrophobicContact CD2-CB 3.63Å; L74-L582 HydrophobicContact CD2-CD1 4.29Å; L74-L582 HydrophobicContact CG-CB 3.78Å; L74-L582 HydrophobicContact CG-CD1 4.32Å; L74-W583 HydrophobicContact CD1-CE3 4.08Å; L74-W583 HydrophobicContact CD2-CB 4.33Å; L74-L586 HydrophobicContact CD1-CB 4.32Å; L74-L586 HydrophobicContact CD1-CD2 3.57Å
75	L	93.6	Very high	90.8	Very high	85 Å²	85	51.2 Å²	51.2	45%	0.445	25%	0.253	S	S	.	.	H	α-helix	trans	-62.5	-53.9	176	174.9	63.8	0	0	0	110.8	A71 R72 S73 L77 R78 L79 T112	A71-L75 WeakPolarHBondContact O-CB 3.25Å; A71-L75 PolarHBondContact O-N 3.21Å; R72-L75 WeakPolarHBondContact O-CB 3.4Å; R72-L75 PolarHBondContact O-N 3.26Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 2.84Å; L75-L77 PolarHBondContact O-N 3.01Å; L75-R78 PolarHBondContact O-N 3.12Å; L75-L79 HydrophobicContact CD1-CD1 4.08Å; L75-L79 HydrophobicContact CD1-CG 4.21Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 WeakPolarHBondContact O-CG 3.37Å; L75-L79 PolarHBondContact O-N 2.9Å; L75-T112 HydrophobicContact CD2-CG2 4.48Å
76	V	92.4	Very high	90.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.1	-48.5	-177.2	172.6	0	0	0	0	110.8	R72 S73 R78 L79 C80 F113 H116 F117	R72-V76 HydrophobicContact CG-CG2 4.33Å; R72-V76 WeakPolarHBondContact O-CG2 3.36Å; R72-V76 PolarHBondContact O-N 2.88Å; S73-V76 PolarHBondContact O-N 3.48Å; V76-R78 VanDerWaalsContact C-N 3.27Å; V76-R78 PolarHBondContact O-N 3.27Å; V76-L79 PolarHBondContact O-N 3.1Å; V76-L79 VanDerWaalsContact O-N 3.08Å; V76-C80 PolarHBondContact O-N 2.78Å; V76-C80 PolarHBondContact O-SG 2.79Å; V76-F113 HydrophobicContact CG1-CD1 3.84Å; V76-F113 HydrophobicContact CG1-CE1 4.01Å; V76-F113 HydrophobicContact CG1-CG 4.35Å; V76-H116 HydrophobicContact CB-CB 4.43Å; V76-H116 HydrophobicContact CG1-CB 4.27Å; V76-H116 VanDerWaalsContact CG1-CD2 3.5Å; V76-H116 WeakPolarHBondContact CG1-CD2 3.37Å; V76-H116 HydrophobicContact CG2-CB 4.12Å; V76-F117 HydrophobicContact CG1-CD2 4.5Å; V76-F117 HydrophobicContact CG1-CE2 3.71Å; V76-F117 HydrophobicContact CG1-CZ 4.14Å
77	L	89.8	Confident	89.9	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-29.8	178.9	-65.4	178.7	0	0	0	113	S73 L75 A81 T575 E578 R579 L582	S73-L77 WeakPolarHBondContact O-CB 3.44Å; S73-L77 VanDerWaalsContact O-CG 3.26Å; S73-L77 WeakPolarHBondContact O-CG 3.36Å; S73-L77 PolarHBondContact O-N 3.07Å; L75-L77 PolarHBondContact O-N 3.01Å; L77-A81 WeakPolarHBondContact O-CB 3.19Å; L77-A81 PolarHBondContact O-N 3.27Å; L77-T575 HydrophobicContact CB-CG2 4.37Å; L77-T575 HydrophobicContact CD2-CG2 4.12Å; L77-E578 HydrophobicContact CD1-CG 3.98Å; L77-R579 HydrophobicContact CB-CG 3.92Å; L77-R579 HydrophobicContact CD1-CG 4.05Å; L77-L582 HydrophobicContact CD1-CD1 3.74Å
78	R	89.4	Confident	89.6	Confident	148 Å²	148	55.7 Å²	55.7	56%	0.558	29%	0.287	S	S	*	.	H	α-helix	trans	-70.8	-39.7	171.6	-79.4	-179.2	-178	-172.7	2.8	112.2	L74 L75 V76 A81	L74-R78 WeakPolarHBondContact O-CB 3.47Å; L74-R78 VanDerWaalsContact O-CG 3.22Å; L74-R78 WeakPolarHBondContact O-CG 3.08Å; L74-R78 PolarHBondContact O-N 2.71Å; L74-R78 VanDerWaalsContact O-N 3.08Å; L75-R78 PolarHBondContact O-N 3.12Å; V76-R78 VanDerWaalsContact C-N 3.27Å; V76-R78 PolarHBondContact O-N 3.27Å; R78-A81 PolarHBondContact O-N 3.42Å
79	L	89.9	Confident	89.3	Confident	43 Å²	43	51.5 Å²	51.5	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-40.9	176	-66.6	172.9	0	0	0	111.3	L75 V76 A81 W82 L85 F113	L75-L79 HydrophobicContact CD1-CD1 4.08Å; L75-L79 HydrophobicContact CD1-CG 4.21Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 WeakPolarHBondContact O-CG 3.37Å; L75-L79 PolarHBondContact O-N 2.9Å; V76-L79 PolarHBondContact O-N 3.1Å; V76-L79 VanDerWaalsContact O-N 3.08Å; L79-A81 PolarHBondContact O-N 2.68Å; L79-W82 PolarHBondContact O-N 3.09Å; L79-W82 VanDerWaalsContact O-N 3.12Å; L79-L85 HydrophobicContact CB-CD2 4.29Å; L79-L85 HydrophobicContact CD2-CD1 4.24Å; L79-F113 HydrophobicContact CB-CE2 4.42Å; L79-F113 HydrophobicContact CB-CZ 3.78Å; L79-F113 HydrophobicContact CD1-CE2 3.84Å; L79-F113 HydrophobicContact CD1-CZ 4.06Å
80	C	86.8	Confident	88.8	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-30.2	172	-64.9	0	0	0	0	112.4	V76 W82 L86 N568 S569	V76-C80 PolarHBondContact O-N 2.78Å; V76-C80 PolarHBondContact O-SG 2.79Å; C80-W82 PolarHBondContact O-N 2.79Å; C80-L86 WeakPolarHBondContact O-CD1 3.41Å; C80-N568 HydrophobicContact CB-CB 3.94Å; C80-S569 WeakPolarHBondContact O-CB 3.42Å
81	A	86.4	Confident	88.5	Confident	31 Å²	31	63.3 Å²	63.3	26%	0.256	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	6.5	177.6	0	0	0	0	0	113.7	L77 R78 L79 P83	L77-A81 WeakPolarHBondContact O-CB 3.19Å; L77-A81 PolarHBondContact O-N 3.27Å; R78-A81 PolarHBondContact O-N 3.42Å; L79-A81 PolarHBondContact O-N 2.68Å; A81-P83 WeakPolarHBondContact O-CD 3.3Å
82	W	87.1	Confident	88.2	Confident	152 Å²	152	65.1 Å²	65.1	58%	0.576	33%	0.33	S	S	*	.			trans	-108.4	99.9	-178.5	-164.7	3	0	0	0	112	L79 C80 A84 L85 L86	L79-W82 PolarHBondContact O-N 3.09Å; L79-W82 VanDerWaalsContact O-N 3.12Å; C80-W82 PolarHBondContact O-N 2.79Å; W82-A84 VanDerWaalsContact C-N 3.33Å; W82-A84 PolarHBondContact O-N 2.73Å; W82-L85 HydrophobicContact CB-CB 4.09Å; W82-L85 HydrophobicContact CD2-CB 4.18Å; W82-L85 HydrophobicContact CE3-CB 4.23Å; W82-L85 HydrophobicContact CE3-CD1 4.21Å; W82-L85 HydrophobicContact CG-CB 4.12Å; W82-L85 WeakPolarHBondContact O-CB 3.42Å; W82-L85 PolarHBondContact O-N 3.12Å; W82-L85 VanDerWaalsContact O-N 3.13Å; W82-L86 PolarHBondContact O-N 2.66Å
83	P	83.9	Confident	87.9	Confident	100 Å²	100	65.6 Å²	65.6	65%	0.649	34%	0.335	S	S	*	.	H	α-helix	trans	-59.6	-38.3	-173.9	-26.6	35	0	0	0	114.1	A81 L85 L86 A87	A81-P83 WeakPolarHBondContact O-CD 3.3Å; P83-L85 VanDerWaalsContact C-N 3.3Å; P83-L85 PolarHBondContact O-N 2.62Å; P83-L86 PolarHBondContact O-N 3.4Å; P83-A87 WeakPolarHBondContact O-CB 3.47Å; P83-A87 PolarHBondContact O-N 3.36Å
84	A	85.4	Confident	87.7	Confident	60 Å²	60	71.2 Å²	71.2	50%	0.496	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-34.1	-179.9	0	0	0	0	0	112.9	W82	W82-A84 VanDerWaalsContact C-N 3.33Å; W82-A84 PolarHBondContact O-N 2.73Å
85	L	86.4	Confident	87.6	Confident	44 Å²	44	74.1 Å²	74.1	23%	0.23	37%	0.374	C	S	.	.	H	α-helix	trans	-70.4	-45.7	175.5	-177.1	125	0	0	0	110.4	L79 W82 P83 A87 R88 H89 L92	L79-L85 HydrophobicContact CB-CD2 4.29Å; L79-L85 HydrophobicContact CD2-CD1 4.24Å; W82-L85 HydrophobicContact CB-CB 4.09Å; W82-L85 HydrophobicContact CD2-CB 4.18Å; W82-L85 HydrophobicContact CE3-CB 4.23Å; W82-L85 HydrophobicContact CE3-CD1 4.21Å; W82-L85 HydrophobicContact CG-CB 4.12Å; W82-L85 WeakPolarHBondContact O-CB 3.42Å; W82-L85 PolarHBondContact O-N 3.12Å; W82-L85 VanDerWaalsContact O-N 3.13Å; P83-L85 VanDerWaalsContact C-N 3.3Å; P83-L85 PolarHBondContact O-N 2.62Å; L85-A87 PolarHBondContact O-N 3.13Å; L85-R88 CarbonylContact O-C 3.54Å; L85-R88 PolarHBondContact O-N 2.93Å; L85-H89 PolarHBondContact O-N 3.46Å; L85-L92 HydrophobicContact CD1-CD1 4.27Å; L85-L92 HydrophobicContact CG-CD1 3.99Å
86	L	83.1	Confident	87.5	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.042	36%	0.362	C	S	.	.	H	α-helix	trans	-66.3	-35.5	178.9	-67.1	-177.5	0	0	0	112.9	C80 W82 P83 R88 H89 A565 L566	C80-L86 WeakPolarHBondContact O-CD1 3.41Å; W82-L86 PolarHBondContact O-N 2.66Å; P83-L86 PolarHBondContact O-N 3.4Å; L86-R88 PolarHBondContact O-N 3.14Å; L86-R88 VanDerWaalsContact O-N 3.11Å; L86-H89 PolarHBondContact O-N 3.46Å; L86-H89 PolarHBondContact O-ND1 2.84Å; L86-A565 HydrophobicContact CD2-CB 3.83Å; L86-L566 HydrophobicContact CB-CD2 4.22Å; L86-L566 HydrophobicContact CD1-CD2 4.38Å
87	A	83.3	Confident	87.4	Confident	84 Å²	84	76.1 Å²	76.1	69%	0.694	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.5	176.4	0	0	0	0	0	113.4	P83 L85	P83-A87 WeakPolarHBondContact O-CB 3.47Å; P83-A87 PolarHBondContact O-N 3.36Å; L85-A87 PolarHBondContact O-N 3.13Å
88	R	87.5	Confident	87.6	Confident	165 Å²	165	83.6 Å²	83.6	62%	0.623	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	18.7	-178.5	-56.8	-174.9	-174	-161.5	0.6	112.9	L85 L86 E90 Q91 L92	L85-R88 CarbonylContact O-C 3.54Å; L85-R88 PolarHBondContact O-N 2.93Å; L86-R88 PolarHBondContact O-N 3.14Å; L86-R88 VanDerWaalsContact O-N 3.11Å; R88-E90 VanDerWaalsContact C-N 3.34Å; R88-E90 PolarHBondContact O-N 3.35Å; R88-Q91 PolarHBondContact O-N 3.23Å; R88-L92 WeakPolarHBondContact O-CG 3.26Å; R88-L92 PolarHBondContact O-N 2.9Å
89	H	86.1	Confident	87.8	Confident	41 Å²	41	83.1 Å²	83.1	19%	0.19	42%	0.42	C	S	.	.	H	α-helix	trans	-59.8	-40.7	-170.5	70.4	-81.5	0	0	0	113	L85 L86 Q91 L92 L93 S562	L85-H89 PolarHBondContact O-N 3.46Å; L86-H89 PolarHBondContact O-N 3.46Å; L86-H89 PolarHBondContact O-ND1 2.84Å; H89-Q91 PolarHBondContact O-N 2.86Å; H89-L92 PolarHBondContact O-N 3.39Å; H89-L93 WeakPolarHBondContact O-CB 3.22Å; H89-L93 VanDerWaalsContact O-CG 3.28Å; H89-L93 WeakPolarHBondContact O-CG 3.44Å; H89-L93 PolarHBondContact O-N 2.73Å; H89-S562 PolarHBondContact CD2-OG 3.16Å; H89-S562 WeakPolarHBondContact NE2-CB 3.23Å; H89-S562 PolarHBondContact NE2-OG 3.28Å
90	E	83.6	Confident	88	Confident	142 Å²	142	84.3 Å²	84.3	66%	0.664	43%	0.426	S	S	*	.	H	α-helix	trans	-61.9	-46.2	177.9	-61.8	-176	164.4	0	0	112.2	R88 L92 L93 Y94	R88-E90 VanDerWaalsContact C-N 3.34Å; R88-E90 PolarHBondContact O-N 3.35Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.04Å; E90-L93 PolarHBondContact O-N 2.96Å; E90-Y94 WeakPolarHBondContact O-CB 3.45Å; E90-Y94 PolarHBondContact O-N 3.38Å
91	Q	87.6	Confident	88.3	Confident	128 Å²	128	85.8 Å²	85.8	60%	0.598	44%	0.442	S	S	*	.	H	α-helix	trans	-62.1	-41.7	176.4	-64.7	176.4	-0.4	0	0	111	R88 H89 Y94 V95	R88-Q91 PolarHBondContact O-N 3.23Å; H89-Q91 PolarHBondContact O-N 2.86Å; Q91-Y94 PolarHBondContact O-N 3.4Å; Q91-V95 WeakPolarHBondContact O-CB 3.41Å; Q91-V95 VanDerWaalsContact O-CG2 3.27Å; Q91-V95 WeakPolarHBondContact O-CG2 3.38Å; Q91-V95 PolarHBondContact O-N 2.94Å
92	L	89.1	Confident	88.6	Confident	86 Å²	86	88.3 Å²	88.3	45%	0.45	45%	0.448	S	S	.	.	H	α-helix	trans	-65	-42.7	177.3	-69.9	171.5	0	0	0	111.9	L85 R88 H89 E90 S96	L85-L92 HydrophobicContact CD1-CD1 4.27Å; L85-L92 HydrophobicContact CG-CD1 3.99Å; R88-L92 WeakPolarHBondContact O-CG 3.26Å; R88-L92 PolarHBondContact O-N 2.9Å; H89-L92 PolarHBondContact O-N 3.39Å; E90-L92 VanDerWaalsContact C-N 3.32Å; E90-L92 PolarHBondContact O-N 3.04Å; L92-S96 WeakPolarHBondContact O-CB 3.05Å; L92-S96 PolarHBondContact O-N 3.46Å; L92-S96 PolarHBondContact O-OG 3.32Å
93	L	88.8	Confident	88.9	Confident	40 Å²	40	92 Å²	92	21%	0.209	46%	0.462	C	S	.	.	H	α-helix	trans	-63.1	-43.6	175.1	-71.2	171.5	0	0	0	110.9	H89 E90 S96 R97 F105 M109	H89-L93 WeakPolarHBondContact O-CB 3.22Å; H89-L93 VanDerWaalsContact O-CG 3.28Å; H89-L93 WeakPolarHBondContact O-CG 3.44Å; H89-L93 PolarHBondContact O-N 2.73Å; E90-L93 PolarHBondContact O-N 2.96Å; L93-S96 WeakPolarHBondContact CA-OG 3.48Å; L93-S96 PolarHBondContact O-OG 3.45Å; L93-R97 VanDerWaalsContact O-CB 3.23Å; L93-R97 WeakPolarHBondContact O-CB 3.48Å; L93-R97 PolarHBondContact O-N 3.36Å; L93-F105 HydrophobicContact CD2-CE2 4.13Å; L93-F105 HydrophobicContact CD2-CZ 4Å; L93-M109 HydrophobicContact CD2-CE 4.3Å; L93-M109 HydrophobicContact CD2-SD 4.09Å
94	Y	88.4	Confident	89.4	Confident	128 Å²	128	91.7 Å²	91.7	50%	0.502	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-50.6	177	176.4	-102	0	0	0	112.5	E90 Q91 R97 K98	E90-Y94 WeakPolarHBondContact O-CB 3.45Å; E90-Y94 PolarHBondContact O-N 3.38Å; Q91-Y94 PolarHBondContact O-N 3.4Å; Y94-R97 PolarHBondContact O-N 3.07Å; Y94-K98 WeakPolarHBondContact O-CB 3.26Å; Y94-K98 PolarHBondContact O-N 2.96Å
95	V	92.1	Very high	89.8	Confident	72 Å²	72	88.9 Å²	88.9	44%	0.436	43%	0.431	S	S	.	.	H	α-helix	trans	-65.3	-45.6	-179.4	170.7	0	0	0	0	110.9	Q91 R97 K98 L99	Q91-V95 WeakPolarHBondContact O-CB 3.41Å; Q91-V95 VanDerWaalsContact O-CG2 3.27Å; Q91-V95 WeakPolarHBondContact O-CG2 3.38Å; Q91-V95 PolarHBondContact O-N 2.94Å; V95-R97 VanDerWaalsContact C-N 3.34Å; V95-R97 PolarHBondContact O-N 3.44Å; V95-K98 PolarHBondContact O-N 3.23Å; V95-L99 HydrophobicContact CG1-CD1 3.62Å; V95-L99 HydrophobicContact CG1-CG 4.16Å; V95-L99 WeakPolarHBondContact O-CB 3.23Å; V95-L99 VanDerWaalsContact O-CG 3.31Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.41Å
96	S	90.8	Very high	90.1	Very high	29 Å²	29	88.6 Å²	88.6	20%	0.203	43%	0.429	C	S	.	.	H	α-helix	trans	-62.2	-40.6	178.2	59.1	0	0	0	0	111.9	L92 L93 L99 L100 F105	L92-S96 WeakPolarHBondContact O-CB 3.05Å; L92-S96 PolarHBondContact O-N 3.46Å; L92-S96 PolarHBondContact O-OG 3.32Å; L93-S96 WeakPolarHBondContact CA-OG 3.48Å; L93-S96 PolarHBondContact O-OG 3.45Å; S96-L99 PolarHBondContact O-N 3.26Å; S96-L100 VanDerWaalsContact O-CB 3.25Å; S96-L100 WeakPolarHBondContact O-CB 3.06Å; S96-L100 VanDerWaalsContact O-CG 3.26Å; S96-L100 WeakPolarHBondContact O-CG 3.36Å; S96-L100 PolarHBondContact O-N 3.26Å; S96-F105 WeakPolarHBondContact OG-CE2 3.45Å
97	R	90.9	Very high	90.7	Very high	97 Å²	97	94.6 Å²	94.6	37%	0.366	46%	0.455	S	S	.	.	H	α-helix	trans	-61.4	-44.7	173.3	-175.6	177.7	68.9	-177.7	0.2	111.8	L93 Y94 V95 G101 F105	L93-R97 VanDerWaalsContact O-CB 3.23Å; L93-R97 WeakPolarHBondContact O-CB 3.48Å; L93-R97 PolarHBondContact O-N 3.36Å; Y94-R97 PolarHBondContact O-N 3.07Å; V95-R97 VanDerWaalsContact C-N 3.34Å; V95-R97 PolarHBondContact O-N 3.44Å; R97-G101 WeakPolarHBondContact O-CA 3.46Å; R97-G101 PolarHBondContact O-N 2.65Å; R97-F105 HydrophobicContact CB-CD2 4.01Å; R97-F105 HydrophobicContact CB-CE2 4.22Å; R97-F105 HydrophobicContact CB-CG 4.21Å; R97-F105 HydrophobicContact CG-CG 4.44Å
98	K	92.5	Very high	91.2	Very high	158 Å²	158	94.1 Å²	94.1	69%	0.687	44%	0.441	S	S	*	.	H	α-helix	trans	-65.4	-38.3	179.7	-171.3	174.7	-179.8	177	0	112.4	Y94 V95	Y94-K98 WeakPolarHBondContact O-CB 3.26Å; Y94-K98 PolarHBondContact O-N 2.96Å; V95-K98 PolarHBondContact O-N 3.23Å
99	L	95.1	Very high	91.5	Very high	138 Å²	138	86.8 Å²	86.8	72%	0.723	41%	0.414	S	S	*	.	H	α-helix	trans	-79.2	-44.3	-178.4	-69.5	175.4	0	0	0	113.3	V95 S96	V95-L99 HydrophobicContact CG1-CD1 3.62Å; V95-L99 HydrophobicContact CG1-CG 4.16Å; V95-L99 WeakPolarHBondContact O-CB 3.23Å; V95-L99 VanDerWaalsContact O-CG 3.31Å; V95-L99 WeakPolarHBondContact O-CG 3.33Å; V95-L99 PolarHBondContact O-N 3.41Å; S96-L99 PolarHBondContact O-N 3.26Å
100	L	93.9	Very high	91.9	Very high	67 Å²	67	88.9 Å²	88.9	35%	0.351	42%	0.422	S	S	.	.	H	α-helix	trans	-85.3	-21.5	-174.6	-59.9	174.6	0	0	0	112.6	S96 L104 F105 L108	S96-L100 VanDerWaalsContact O-CB 3.25Å; S96-L100 WeakPolarHBondContact O-CB 3.06Å; S96-L100 VanDerWaalsContact O-CG 3.26Å; S96-L100 WeakPolarHBondContact O-CG 3.36Å; S96-L100 PolarHBondContact O-N 3.26Å; L100-L104 HydrophobicContact CB-CB 4.05Å; L100-L104 HydrophobicContact CB-CD2 4.1Å; L100-L104 HydrophobicContact CB-CG 4.08Å; L100-L104 HydrophobicContact CD2-CD2 3.64Å; L100-L104 HydrophobicContact CD2-CG 4.16Å; L100-L104 HydrophobicContact CG-CD2 4.4Å; L100-L104 WeakPolarHBondContact O-CB 3.19Å; L100-F105 HydrophobicContact CB-CB 4.5Å; L100-L108 HydrophobicContact CD1-CD2 3.66Å
101	G	93.4	Very high	92.4	Very high	32 Å²	32	87.8 Å²	87.8	33%	0.33	42%	0.418	S	S	.	.	H	α-helix	trans	69.6	168.5	-166.3	0	0	0	0	0	112.6	R97 R103 F105	R97-G101 WeakPolarHBondContact O-CA 3.46Å; R97-G101 PolarHBondContact O-N 2.65Å; G101-R103 PolarHBondContact O-N 3.23Å; G101-F105 WeakPolarHBondContact O-CB 3.07Å; G101-F105 PolarHBondContact O-N 3.22Å
102	Q	90.8	Very high	92.7	Very high	84 Å²	84	82.6 Å²	82.6	39%	0.393	40%	0.395	S	S	.	.	H	α-helix	trans	-59.6	-43.4	-169.2	-170	62.9	42.6	0	0	114	N106 M555	Q102-N106 PolarHBondContact NE2-ND2 3.18Å; Q102-N106 PolarHBondContact NE2-OD1 2.65Å; Q102-N106 WeakPolarHBondContact O-CB 3.42Å; Q102-N106 VanDerWaalsContact O-CG 3.26Å; Q102-N106 PolarHBondContact O-N 2.75Å; Q102-N106 PolarHBondContact O-OD1 3.48Å; Q102-M555 PolarHBondContact NE2-SD 2.81Å
103	R	93.4	Very high	92.8	Very high	229 Å²	229	80 Å²	80	86%	0.864	38%	0.381	S	S	*	.	H	α-helix	trans	-66.4	-48.4	-174.8	-70	-177.7	179.2	171.4	0.1	112.1	G101 N106 K107	G101-R103 PolarHBondContact O-N 3.23Å; R103-N106 PolarHBondContact O-N 2.92Å; R103-K107 PolarHBondContact O-N 2.92Å; R103-K107 VanDerWaalsContact O-N 3.1Å
104	L	94.6	Very high	93	Very high	93 Å²	93	78.5 Å²	78.5	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-74.2	-35.3	-177.9	-176.7	59.8	0	0	0	111.1	L100 K107 L108	L100-L104 HydrophobicContact CB-CB 4.05Å; L100-L104 HydrophobicContact CB-CD2 4.1Å; L100-L104 HydrophobicContact CB-CG 4.08Å; L100-L104 HydrophobicContact CD2-CD2 3.64Å; L100-L104 HydrophobicContact CD2-CG 4.16Å; L100-L104 HydrophobicContact CG-CD2 4.4Å; L100-L104 WeakPolarHBondContact O-CB 3.19Å; L104-K107 PolarHBondContact O-N 2.98Å; L104-L108 WeakPolarHBondContact O-CB 3.33Å; L104-L108 PolarHBondContact O-N 2.85Å
105	F	94.3	Very high	93.2	Very high	1 Å²	1	73.2 Å²	73.2	0%	0.004	36%	0.357	C	S	.	.	H	α-helix	trans	-58.1	-50.8	169.9	178.1	-97.6	0	0	0	111.8	L93 S96 R97 L100 G101 K107 L108 M109 M555 L558	L93-F105 HydrophobicContact CD2-CE2 4.13Å; L93-F105 HydrophobicContact CD2-CZ 4Å; S96-F105 WeakPolarHBondContact OG-CE2 3.45Å; R97-F105 HydrophobicContact CB-CD2 4.01Å; R97-F105 HydrophobicContact CB-CE2 4.22Å; R97-F105 HydrophobicContact CB-CG 4.21Å; R97-F105 HydrophobicContact CG-CG 4.44Å; L100-F105 HydrophobicContact CB-CB 4.5Å; G101-F105 WeakPolarHBondContact O-CB 3.07Å; G101-F105 PolarHBondContact O-N 3.22Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 3.01Å; F105-L108 WeakPolarHBondContact O-CB 3.33Å; F105-L108 PolarHBondContact O-N 3.23Å; F105-L108 VanDerWaalsContact O-N 3.13Å; F105-M109 HydrophobicContact CD1-CG 4.16Å; F105-M109 HydrophobicContact CD2-CG 4.49Å; F105-M109 HydrophobicContact CE1-CG 3.72Å; F105-M109 HydrophobicContact CE2-CG 4.09Å; F105-M109 HydrophobicContact CE2-SD 4.19Å; F105-M109 HydrophobicContact CZ-CG 3.69Å; F105-M109 HydrophobicContact CZ-SD 4Å; F105-M109 WeakPolarHBondContact O-CG 3.43Å; F105-M109 PolarHBondContact O-N 2.8Å; F105-M555 HydrophobicContact CD1-SD 4.19Å; F105-M555 HydrophobicContact CE1-SD 3.85Å; F105-L558 HydrophobicContact CE1-CD1 4.43Å; F105-L558 HydrophobicContact CE1-CD2 4.42Å; F105-L558 HydrophobicContact CZ-CD1 4.44Å; F105-L558 HydrophobicContact CZ-CD2 4.3Å
106	N	93.4	Very high	93.2	Very high	38 Å²	38	70.4 Å²	70.4	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-58.9	-41.2	177.7	-77.3	4.6	0	0	0	111.9	Q102 R103 M109 K110	Q102-N106 PolarHBondContact NE2-ND2 3.18Å; Q102-N106 PolarHBondContact NE2-OD1 2.65Å; Q102-N106 WeakPolarHBondContact O-CB 3.42Å; Q102-N106 VanDerWaalsContact O-CG 3.26Å; Q102-N106 PolarHBondContact O-N 2.75Å; Q102-N106 PolarHBondContact O-OD1 3.48Å; R103-N106 PolarHBondContact O-N 2.92Å; N106-M109 PolarHBondContact O-N 2.79Å; N106-K110 WeakPolarHBondContact O-CB 3.49Å; N106-K110 VanDerWaalsContact O-CG 3.31Å; N106-K110 WeakPolarHBondContact O-CG 3.05Å; N106-K110 PolarHBondContact O-N 2.95Å
107	K	94.6	Very high	93.3	Very high	134 Å²	134	69 Å²	69	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-62.9	-44.9	176.1	-171.9	175.5	-179.4	179.3	0	111.6	R103 L104 F105 K110 M111	R103-K107 PolarHBondContact O-N 2.92Å; R103-K107 VanDerWaalsContact O-N 3.1Å; L104-K107 PolarHBondContact O-N 2.98Å; F105-K107 VanDerWaalsContact C-N 3.29Å; F105-K107 PolarHBondContact O-N 3.01Å; K107-K110 PolarHBondContact O-N 2.91Å; K107-M111 HydrophobicContact CG-SD 4.14Å; K107-M111 WeakPolarHBondContact O-CB 3.38Å; K107-M111 VanDerWaalsContact O-CG 3.28Å; K107-M111 WeakPolarHBondContact O-CG 3.47Å; K107-M111 PolarHBondContact O-N 3.25Å
108	L	94.5	Very high	93.3	Very high	74 Å²	74	64.6 Å²	64.6	39%	0.387	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-46.5	176.4	177.6	64.9	0	0	0	111.4	L100 L104 F105 M111 T112	L100-L108 HydrophobicContact CD1-CD2 3.66Å; L104-L108 WeakPolarHBondContact O-CB 3.33Å; L104-L108 PolarHBondContact O-N 2.85Å; F105-L108 WeakPolarHBondContact O-CB 3.33Å; F105-L108 PolarHBondContact O-N 3.23Å; F105-L108 VanDerWaalsContact O-N 3.13Å; L108-M111 PolarHBondContact O-N 3.33Å; L108-T112 HydrophobicContact CD1-CG2 4.27Å; L108-T112 WeakPolarHBondContact O-CG2 3.38Å; L108-T112 PolarHBondContact O-N 3.49Å; L108-T112 VanDerWaalsContact O-N 3.13Å; L108-T112 PolarHBondContact O-OG1 2.97Å
109	M	93.9	Very high	93.3	Very high	11 Å²	11	58.1 Å²	58.1	5%	0.054	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-48.5	178	-69.9	-54.2	-66.4	0	0	111.2	L93 F105 N106 M111 T112 F113 Y114 G115 V554 L558 L561	L93-M109 HydrophobicContact CD2-CE 4.3Å; L93-M109 HydrophobicContact CD2-SD 4.09Å; F105-M109 HydrophobicContact CD1-CG 4.16Å; F105-M109 HydrophobicContact CD2-CG 4.49Å; F105-M109 HydrophobicContact CE1-CG 3.72Å; F105-M109 HydrophobicContact CE2-CG 4.09Å; F105-M109 HydrophobicContact CE2-SD 4.19Å; F105-M109 HydrophobicContact CZ-CG 3.69Å; F105-M109 HydrophobicContact CZ-SD 4Å; F105-M109 WeakPolarHBondContact O-CG 3.43Å; F105-M109 PolarHBondContact O-N 2.8Å; N106-M109 PolarHBondContact O-N 2.79Å; M109-M111 PolarHBondContact O-N 3.42Å; M109-T112 CarbonylContact O-C 3.56Å; M109-T112 PolarHBondContact O-N 3.07Å; M109-T112 PolarHBondContact O-OG1 2.64Å; M109-F113 HydrophobicContact CE-CB 4.11Å; M109-F113 PolarHBondContact O-N 2.8Å; M109-Y114 VanDerWaalsContact O-CB 3.26Å; M109-Y114 WeakPolarHBondContact O-CB 3.45Å; M109-Y114 PolarHBondContact O-N 3.16Å; M109-G115 PolarHBondContact O-N 2.72Å; M109-V554 HydrophobicContact CB-CG1 3.81Å; M109-V554 HydrophobicContact CG-CG1 4.12Å; M109-L558 HydrophobicContact CE-CD2 3.93Å; M109-L561 HydrophobicContact CE-CD1 3.66Å
110	K	93.6	Very high	93.2	Very high	86 Å²	86	51.9 Å²	51.9	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-31.8	177.1	-73.7	178.4	179.5	-174.5	0	113.1	N106 K107 T112 Y114 G115 E121 V554	N106-K110 WeakPolarHBondContact O-CB 3.49Å; N106-K110 VanDerWaalsContact O-CG 3.31Å; N106-K110 WeakPolarHBondContact O-CG 3.05Å; N106-K110 PolarHBondContact O-N 2.95Å; K107-K110 PolarHBondContact O-N 2.91Å; K110-T112 VanDerWaalsContact C-N 3.31Å; K110-Y114 HydrophobicContact CB-CD1 4.44Å; K110-Y114 HydrophobicContact CG-CD1 3.77Å; K110-Y114 HydrophobicContact CG-CE1 4.11Å; K110-Y114 HydrophobicContact CG-CG 4.48Å; K110-G115 WeakPolarHBondContact O-CA 3.49Å; K110-G115 PolarHBondContact O-N 3.15Å; K110-E121 WeakPolarHBondContact CE-OE1 3.14Å; K110-E121 VanDerWaalsContact NZ-CD 3.34Å; K110-E121 IonicContact NZ-OE1 3.16Å; K110-E121 PolarHBondContact NZ-OE1 3.42Å; K110-E121 IonicContact NZ-OE2 2.75Å; K110-V554 HydrophobicContact CG-CG2 4.24Å
111	M	94	Very high	93.1	Very high	118 Å²	118	51.7 Å²	51.7	58%	0.581	26%	0.255	S	S	*	.	H	α-helix	trans	-79.2	-11.7	175.3	-70.4	179.6	67.4	0	0	113.7	R72 K107 L108 M109	R72-M111 WeakPolarHBondContact CD-O 3.5Å; R72-M111 WeakPolarHBondContact CG-O 3.41Å; K107-M111 HydrophobicContact CG-SD 4.14Å; K107-M111 WeakPolarHBondContact O-CB 3.38Å; K107-M111 VanDerWaalsContact O-CG 3.28Å; K107-M111 WeakPolarHBondContact O-CG 3.47Å; K107-M111 PolarHBondContact O-N 3.25Å; L108-M111 PolarHBondContact O-N 3.33Å; M109-M111 PolarHBondContact O-N 3.42Å
112	T	93.9	Very high	93	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.117	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-115.1	-173.8	58.7	0	0	0	0	111.6	L75 L108 M109 K110 G115 H116	L75-T112 HydrophobicContact CD2-CG2 4.48Å; L108-T112 HydrophobicContact CD1-CG2 4.27Å; L108-T112 WeakPolarHBondContact O-CG2 3.38Å; L108-T112 PolarHBondContact O-N 3.49Å; L108-T112 VanDerWaalsContact O-N 3.13Å; L108-T112 PolarHBondContact O-OG1 2.97Å; M109-T112 CarbonylContact O-C 3.56Å; M109-T112 PolarHBondContact O-N 3.07Å; M109-T112 PolarHBondContact O-OG1 2.64Å; K110-T112 VanDerWaalsContact C-N 3.31Å; T112-G115 PolarHBondContact O-N 3.4Å; T112-H116 WeakPolarHBondContact O-CB 3.27Å; T112-H116 PolarHBondContact O-N 2.56Å; T112-H116 VanDerWaalsContact O-N 3.16Å
113	F	91.5	Very high	92.8	Very high	32 Å²	32	51.3 Å²	51.3	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-46	-171.6	-71.5	-95.2	0	0	0	112.5	V76 L79 M109 H116 F117 A565	V76-F113 HydrophobicContact CG1-CD1 3.84Å; V76-F113 HydrophobicContact CG1-CE1 4.01Å; V76-F113 HydrophobicContact CG1-CG 4.35Å; L79-F113 HydrophobicContact CB-CE2 4.42Å; L79-F113 HydrophobicContact CB-CZ 3.78Å; L79-F113 HydrophobicContact CD1-CE2 3.84Å; L79-F113 HydrophobicContact CD1-CZ 4.06Å; M109-F113 HydrophobicContact CE-CB 4.11Å; M109-F113 PolarHBondContact O-N 2.8Å; F113-H116 PolarHBondContact O-N 3.45Å; F113-F117 HydrophobicContact CD1-CD2 4.48Å; F113-F117 HydrophobicContact CD1-CE2 4.13Å; F113-F117 PolarHBondContact O-N 2.75Å; F113-A565 HydrophobicContact CD1-CB 4.33Å; F113-A565 HydrophobicContact CE1-CB 4Å
114	Y	93.1	Very high	92.7	Very high	8 Å²	8	47.6 Å²	47.6	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-52.3	179.5	179.4	-81.5	0	0	0	110.3	M109 K110 H116 F117 V118 G120 E121 G552 V554 V557 L561	M109-Y114 VanDerWaalsContact O-CB 3.26Å; M109-Y114 WeakPolarHBondContact O-CB 3.45Å; M109-Y114 PolarHBondContact O-N 3.16Å; K110-Y114 HydrophobicContact CB-CD1 4.44Å; K110-Y114 HydrophobicContact CG-CD1 3.77Å; K110-Y114 HydrophobicContact CG-CE1 4.11Å; K110-Y114 HydrophobicContact CG-CG 4.48Å; Y114-H116 PolarHBondContact O-N 3.26Å; Y114-H116 VanDerWaalsContact O-N 3.11Å; Y114-F117 PolarHBondContact O-N 2.99Å; Y114-V118 HydrophobicContact CD1-CB 4.36Å; Y114-V118 HydrophobicContact CD2-CB 3.98Å; Y114-V118 HydrophobicContact CD2-CG1 4.11Å; Y114-V118 HydrophobicContact CD2-CG2 4.29Å; Y114-V118 HydrophobicContact CE1-CB 4.32Å; Y114-V118 HydrophobicContact CE1-CG1 4.15Å; Y114-V118 HydrophobicContact CE2-CB 3.94Å; Y114-V118 HydrophobicContact CE2-CG1 3.54Å; Y114-V118 HydrophobicContact CE2-CG2 4.46Å; Y114-V118 HydrophobicContact CG-CB 4.19Å; Y114-V118 CarbonylContact O-C 3.37Å; Y114-V118 WeakPolarHBondContact O-CA 3.35Å; Y114-V118 WeakPolarHBondContact O-CB 3.17Å; Y114-V118 PolarHBondContact O-N 3.29Å; Y114-G120 PolarHBondContact OH-O 3.48Å; Y114-E121 WeakPolarHBondContact OH-CA 3.13Å; Y114-E121 WeakPolarHBondContact OH-CG 3.42Å; Y114-E121 PolarHBondContact OH-N 3.41Å; Y114-E121 VanDerWaalsContact OH-N 3.16Å; Y114-G552 WeakPolarHBondContact CE2-O 3.48Å; Y114-G552 PolarHBondContact OH-O 3.38Å; Y114-V554 HydrophobicContact CD1-CG2 4.46Å; Y114-V554 HydrophobicContact CD2-CB 4.17Å; Y114-V554 HydrophobicContact CD2-CG1 4.23Å; Y114-V554 HydrophobicContact CD2-CG2 3.8Å; Y114-V554 HydrophobicContact CE1-CG2 4.36Å; Y114-V554 HydrophobicContact CE2-CB 4.17Å; Y114-V554 HydrophobicContact CE2-CG2 3.68Å; Y114-V554 HydrophobicContact CG-CG2 4.2Å; Y114-V557 HydrophobicContact CD2-CG2 3.6Å; Y114-V557 HydrophobicContact CE2-CG2 3.53Å; Y114-L561 HydrophobicContact CD2-CD1 4.22Å
115	G	92.4	Very high	92.5	Very high	18 Å²	18	45.6 Å²	45.6	19%	0.186	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-12	-178.1	0	0	0	0	0	114.7	R72 M109 K110 T112	R72-G115 VanDerWaalsContact NH1-C 3.25Å; R72-G115 PolarHBondContact NH1-O 3.31Å; R72-G115 PolarHBondContact NH2-O 3.48Å; M109-G115 PolarHBondContact O-N 2.72Å; K110-G115 WeakPolarHBondContact O-CA 3.49Å; K110-G115 PolarHBondContact O-N 3.15Å; T112-G115 PolarHBondContact O-N 3.4Å
116	H	92.9	Very high	92.5	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.056	23%	0.233	C	C	.	.	H	α-helix	trans	-90.8	-42.3	176.2	-177.7	68.2	0	0	0	112.1	S73 V76 T112 F113 Y114 G529	S73-H116 PolarHBondContact OG-ND1 2.92Å; V76-H116 HydrophobicContact CB-CB 4.43Å; V76-H116 HydrophobicContact CG1-CB 4.27Å; V76-H116 VanDerWaalsContact CG1-CD2 3.5Å; V76-H116 WeakPolarHBondContact CG1-CD2 3.37Å; V76-H116 HydrophobicContact CG2-CB 4.12Å; T112-H116 WeakPolarHBondContact O-CB 3.27Å; T112-H116 PolarHBondContact O-N 2.56Å; T112-H116 VanDerWaalsContact O-N 3.16Å; F113-H116 PolarHBondContact O-N 3.45Å; Y114-H116 PolarHBondContact O-N 3.26Å; Y114-H116 VanDerWaalsContact O-N 3.11Å; H116-G529 PolarHBondContact CE1-O 3.02Å; H116-G529 VanDerWaalsContact CE1-O 3.3Å; H116-G529 PolarHBondContact NE2-O 3.43Å; H116-G529 VanDerWaalsContact O-CA 3.31Å; H116-G529 WeakPolarHBondContact O-CA 3.45Å
117	F	92.1	Very high	92.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-102.9	-15.3	-175.5	-65.3	-59.2	0	0	0	114.6	V76 F113 Y114 L528 M530 P550 Y560 L561 R564 N568	V76-F117 HydrophobicContact CG1-CD2 4.5Å; V76-F117 HydrophobicContact CG1-CE2 3.71Å; V76-F117 HydrophobicContact CG1-CZ 4.14Å; F113-F117 HydrophobicContact CD1-CD2 4.48Å; F113-F117 HydrophobicContact CD1-CE2 4.13Å; F113-F117 PolarHBondContact O-N 2.75Å; Y114-F117 PolarHBondContact O-N 2.99Å; F117-L528 WeakPolarHBondContact O-CD2 3.31Å; F117-M530 HydrophobicContact CE1-CG 4.21Å; F117-P550 WeakPolarHBondContact O-CG 3.43Å; F117-Y560 HydrophobicContact CB-CE1 4.41Å; F117-L561 HydrophobicContact CB-CD2 3.72Å; F117-L561 HydrophobicContact CD2-CD2 4.22Å; F117-L561 HydrophobicContact CG-CD2 4.46Å; F117-R564 HydrophobicContact CB-CB 4.48Å; F117-R564 HydrophobicContact CB-CG 4.44Å; F117-R564 HydrophobicContact CD1-CB 4.11Å; F117-R564 HydrophobicContact CD1-CG 4.39Å; F117-R564 HydrophobicContact CD2-CB 4.03Å; F117-R564 HydrophobicContact CE1-CB 4.33Å; F117-R564 HydrophobicContact CE2-CB 4.23Å; F117-R564 HydrophobicContact CG-CB 3.96Å; F117-R564 HydrophobicContact CG-CG 4.34Å; F117-R564 HydrophobicContact CZ-CB 4.37Å; F117-N568 WeakPolarHBondContact CE1-ND2 3.26Å; F117-N568 WeakPolarHBondContact CZ-ND2 3.27Å
118	V	92.3	Very high	92.2	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.03	23%	0.227	C	C	.	.			trans	-125.1	135.3	-175	-178.4	0	0	0	0	110.2	Y114 P550 V557 Y560 L561	Y114-V118 HydrophobicContact CD1-CB 4.36Å; Y114-V118 HydrophobicContact CD2-CB 3.98Å; Y114-V118 HydrophobicContact CD2-CG1 4.11Å; Y114-V118 HydrophobicContact CD2-CG2 4.29Å; Y114-V118 HydrophobicContact CE1-CB 4.32Å; Y114-V118 HydrophobicContact CE1-CG1 4.15Å; Y114-V118 HydrophobicContact CE2-CB 3.94Å; Y114-V118 HydrophobicContact CE2-CG1 3.54Å; Y114-V118 HydrophobicContact CE2-CG2 4.46Å; Y114-V118 HydrophobicContact CG-CB 4.19Å; Y114-V118 CarbonylContact O-C 3.37Å; Y114-V118 WeakPolarHBondContact O-CA 3.35Å; Y114-V118 WeakPolarHBondContact O-CB 3.17Å; Y114-V118 PolarHBondContact O-N 3.29Å; V118-P550 HydrophobicContact CG2-CG 4.23Å; V118-V557 HydrophobicContact CG2-CG2 4.14Å; V118-Y560 HydrophobicContact CG2-CD1 4.06Å; V118-Y560 HydrophobicContact CG2-CE1 4.11Å; V118-L561 HydrophobicContact CG2-CD2 3.69Å; V118-L561 HydrophobicContact CG2-CG 4.3Å
119	A	92.2	Very high	92.1	Very high	21 Å²	21	40.5 Å²	40.5	17%	0.174	22%	0.217	C	C	.	.			trans	-79.2	-34.5	-171.9	0	0	0	0	0	114.4	I126 L129 L528 V549 P550	A119-I126 HydrophobicContact CB-CB 4.34Å; A119-I126 HydrophobicContact CB-CG2 3.71Å; A119-L129 HydrophobicContact CB-CD2 3.35Å; A119-L528 HydrophobicContact CB-CD2 4.01Å; A119-V549 HydrophobicContact CB-CG1 3.31Å; A119-P550 PolarHBondContact N-O 3.46Å
120	G	93	Very high	92	Very high	7 Å²	7	40.4 Å²	40.4	7%	0.072	22%	0.217	C	C	.	.			trans	176.5	173.7	-170.8	0	0	0	0	0	111.6	Y114 Y551 G552	Y114-G120 PolarHBondContact OH-O 3.48Å; G120-Y551 CarbonylContact O-C 3.58Å; G120-Y551 WeakPolarHBondContact O-CA 3.37Å; G120-Y551 WeakPolarHBondContact O-CB 3.15Å; G120-G552 PolarHBondContact O-N 3.46Å
121	E	91.9	Very high	91.9	Very high	63 Å²	63	44.1 Å²	44.1	29%	0.294	23%	0.228	S	C	.	.	S	Bend	trans	-85	-26.4	-174.8	-69.2	-176.5	174.9	0	0	112.6	K110 Y114 S125 G552	K110-E121 WeakPolarHBondContact CE-OE1 3.14Å; K110-E121 VanDerWaalsContact NZ-CD 3.34Å; K110-E121 IonicContact NZ-OE1 3.16Å; K110-E121 PolarHBondContact NZ-OE1 3.42Å; K110-E121 IonicContact NZ-OE2 2.75Å; Y114-E121 WeakPolarHBondContact OH-CA 3.13Å; Y114-E121 WeakPolarHBondContact OH-CG 3.42Å; Y114-E121 PolarHBondContact OH-N 3.41Å; Y114-E121 VanDerWaalsContact OH-N 3.16Å; E121-S125 PolarHBondContact N-OG 3.42Å; E121-G552 WeakPolarHBondContact CA-O 3.07Å; E121-G552 CarbonylContact O-C 3.5Å; E121-G552 VanDerWaalsContact O-CA 3.3Å; E121-G552 WeakPolarHBondContact O-CA 3.48Å
122	D	91.1	Very high	91.8	Very high	72 Å²	72	40.9 Å²	40.9	39%	0.385	21%	0.212	S	C	.	.	S	Bend	trans	-153.3	179	-170.4	57.1	46.1	0	0	0	111	E124 S125 I126	D122-E124 PolarHBondContact O-N 2.89Å; D122-E124 PolarHBondContact OD1-N 3.26Å; D122-S125 PolarHBondContact N-OG 3.37Å; D122-S125 PolarHBondContact O-OG 3.01Å; D122-S125 VanDerWaalsContact O-OG 3.04Å; D122-S125 VanDerWaalsContact OD1-CB 3.31Å; D122-S125 WeakPolarHBondContact OD1-CB 3.42Å; D122-S125 PolarHBondContact OD1-N 3.02Å; D122-S125 PolarHBondContact OD1-OG 3.29Å; D122-I126 WeakPolarHBondContact O-CG2 3.43Å; D122-I126 PolarHBondContact O-N 2.86Å
123	Q	87.1	Confident	91.8	Very high	37 Å²	37	40.1 Å²	40.1	17%	0.173	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.3	-176.3	-62.3	169.8	36.3	0	0	114.3	I126 Q127 A221 Y551	Q123-I126 VanDerWaalsContact O-CG1 3.31Å; Q123-I126 WeakPolarHBondContact O-CG1 3.4Å; Q123-Q127 VanDerWaalsContact O-CG 3.28Å; Q123-Q127 WeakPolarHBondContact O-CG 3.43Å; Q123-Q127 PolarHBondContact O-NE2 3.26Å; Q123-A221 HydrophobicContact CB-CB 3.92Å; Q123-A221 HydrophobicContact CG-CB 3.8Å; Q123-Y551 HydrophobicContact CG-CE2 4.12Å
124	E	89.6	Confident	91.8	Very high	151 Å²	151	44.5 Å²	44.5	71%	0.706	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-44.9	-178.6	-63.8	-171.8	171.8	0	0	110.4	D122 I126 Q127	D122-E124 PolarHBondContact O-N 2.89Å; D122-E124 PolarHBondContact OD1-N 3.26Å; E124-I126 VanDerWaalsContact C-N 3.25Å; E124-I126 PolarHBondContact O-N 2.79Å; E124-Q127 WeakPolarHBondContact O-CB 3.33Å; E124-Q127 WeakPolarHBondContact O-CG 3.45Å; E124-Q127 PolarHBondContact O-N 3.06Å; E124-Q127 VanDerWaalsContact O-N 3.15Å
125	S	92.1	Very high	91.7	Very high	51 Å²	51	47.8 Å²	47.8	36%	0.357	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.9	-179.8	57.5	0	0	0	0	113.6	E121 D122 P128	E121-S125 PolarHBondContact N-OG 3.42Å; D122-S125 PolarHBondContact N-OG 3.37Å; D122-S125 PolarHBondContact O-OG 3.01Å; D122-S125 VanDerWaalsContact O-OG 3.04Å; D122-S125 VanDerWaalsContact OD1-CB 3.31Å; D122-S125 WeakPolarHBondContact OD1-CB 3.42Å; D122-S125 PolarHBondContact OD1-N 3.02Å; D122-S125 PolarHBondContact OD1-OG 3.29Å; S125-P128 WeakPolarHBondContact O-CD 3.32Å
126	I	92.6	Very high	91.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-24.6	174.2	62.5	177.8	0	0	0	113.5	A119 D122 Q123 E124 P128 L129 L130 L142 Y551	A119-I126 HydrophobicContact CB-CB 4.34Å; A119-I126 HydrophobicContact CB-CG2 3.71Å; D122-I126 WeakPolarHBondContact O-CG2 3.43Å; D122-I126 PolarHBondContact O-N 2.86Å; Q123-I126 VanDerWaalsContact O-CG1 3.31Å; Q123-I126 WeakPolarHBondContact O-CG1 3.4Å; E124-I126 VanDerWaalsContact C-N 3.25Å; E124-I126 PolarHBondContact O-N 2.79Å; I126-P128 VanDerWaalsContact C-CD 3.44Å; I126-L129 WeakPolarHBondContact O-CB 3.34Å; I126-L129 PolarHBondContact O-N 2.9Å; I126-L130 HydrophobicContact CB-CD1 4.41Å; I126-L130 HydrophobicContact CD1-CD1 4Å; I126-L130 HydrophobicContact CG1-CD1 4Å; I126-L130 WeakPolarHBondContact O-CG 3.45Å; I126-L130 PolarHBondContact O-N 3.42Å; I126-L130 VanDerWaalsContact O-N 3.13Å; I126-L142 HydrophobicContact CD1-CD1 4.01Å; I126-L142 HydrophobicContact CD1-CD2 4.06Å; I126-Y551 HydrophobicContact CD1-CD1 4.13Å; I126-Y551 HydrophobicContact CD1-CD2 4.44Å; I126-Y551 HydrophobicContact CD1-CE1 4.34Å; I126-Y551 HydrophobicContact CD1-CG 4.18Å; I126-Y551 VanDerWaalsContact CG2-CB 3.47Å; I126-Y551 HydrophobicContact CG2-CD2 4.36Å; I126-Y551 HydrophobicContact CG2-CG 3.98Å
127	Q	91.4	Very high	91.8	Very high	19 Å²	19	48.8 Å²	48.8	9%	0.089	26%	0.26	C	S	.	.	H	α-helix	trans	-53.5	-43.2	-172.8	-61.4	-66.6	-43.9	0	0	114	Q123 E124 L129 L130 R131	Q123-Q127 VanDerWaalsContact O-CG 3.28Å; Q123-Q127 WeakPolarHBondContact O-CG 3.43Å; Q123-Q127 PolarHBondContact O-NE2 3.26Å; E124-Q127 WeakPolarHBondContact O-CB 3.33Å; E124-Q127 WeakPolarHBondContact O-CG 3.45Å; E124-Q127 PolarHBondContact O-N 3.06Å; E124-Q127 VanDerWaalsContact O-N 3.15Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.33Å; Q127-L130 PolarHBondContact O-N 2.95Å; Q127-R131 WeakPolarHBondContact O-CG 3.09Å; Q127-R131 PolarHBondContact O-N 3.42Å
128	P	92.2	Very high	91.9	Very high	86 Å²	86	48.8 Å²	48.8	56%	0.558	26%	0.26	S	S	*	.	H	α-helix	trans	-61.2	-39.9	178.2	-23.6	35.8	0	0	0	113	S125 I126 H132	S125-P128 WeakPolarHBondContact O-CD 3.32Å; I126-P128 VanDerWaalsContact C-CD 3.44Å; P128-H132 VanDerWaalsContact O-CB 3.26Å; P128-H132 WeakPolarHBondContact O-CB 3.3Å; P128-H132 PolarHBondContact O-N 3.5Å
129	L	91.4	Very high	92	Very high	35 Å²	35	49.8 Å²	49.8	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-66.7	-42.5	177.9	-176.4	71.9	0	0	0	110.9	A119 I126 Q127 H132 Y133 L528	A119-L129 HydrophobicContact CB-CD2 3.35Å; I126-L129 WeakPolarHBondContact O-CB 3.34Å; I126-L129 PolarHBondContact O-N 2.9Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.33Å; L129-H132 WeakPolarHBondContact O-CB 3.48Å; L129-H132 PolarHBondContact O-N 3.09Å; L129-Y133 HydrophobicContact CD1-CD1 4.1Å; L129-Y133 HydrophobicContact CD1-CE1 3.53Å; L129-Y133 HydrophobicContact CG-CD1 4.4Å; L129-Y133 HydrophobicContact CG-CE1 4.11Å; L129-Y133 HydrophobicContact CG-CE2 4.47Å; L129-Y133 PolarHBondContact O-N 2.92Å; L129-L528 HydrophobicContact CD2-CD1 4.44Å; L129-L528 HydrophobicContact CD2-CD2 4.4Å
130	L	91.9	Very high	92	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-43.6	-179	-59.2	-179.6	0	0	0	111.7	I126 Q127 H132 Y133 R134 A140 L142 V225 V549	I126-L130 HydrophobicContact CB-CD1 4.41Å; I126-L130 HydrophobicContact CD1-CD1 4Å; I126-L130 HydrophobicContact CG1-CD1 4Å; I126-L130 WeakPolarHBondContact O-CG 3.45Å; I126-L130 PolarHBondContact O-N 3.42Å; I126-L130 VanDerWaalsContact O-N 3.13Å; Q127-L130 PolarHBondContact O-N 2.95Å; L130-H132 VanDerWaalsContact C-N 3.33Å; L130-Y133 PolarHBondContact O-N 3.1Å; L130-R134 WeakPolarHBondContact O-CB 3.48Å; L130-R134 PolarHBondContact O-N 2.91Å; L130-A140 HydrophobicContact CD2-CB 3.41Å; L130-A140 VanDerWaalsContact CD2-CB 3.41Å; L130-L142 HydrophobicContact CD1-CD1 4.48Å; L130-L142 HydrophobicContact CD1-CD2 3.99Å; L130-L142 HydrophobicContact CD2-CD2 4.01Å; L130-V225 HydrophobicContact CB-CG1 4.02Å; L130-V225 HydrophobicContact CB-CG2 4.14Å; L130-V225 HydrophobicContact CD1-CG2 3.89Å; L130-V549 HydrophobicContact CD2-CG1 4.38Å
131	R	91.6	Very high	92.1	Very high	165 Å²	165	49.3 Å²	49.3	62%	0.623	26%	0.261	S	S	*	.	H	α-helix	trans	-63.2	-40.9	173.7	-68.2	176.6	-168.1	160.7	4.4	111.7	Q127 R134 A135	Q127-R131 WeakPolarHBondContact O-CG 3.09Å; Q127-R131 PolarHBondContact O-N 3.42Å; R131-R134 PolarHBondContact O-N 3.33Å; R131-A135 PolarHBondContact O-N 2.7Å
132	H	92	Very high	92.1	Very high	50 Å²	50	46.3 Å²	46.3	23%	0.231	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-48.4	176	-179.3	74	0	0	0	111.5	S64 P128 L129 L130 R134 A135 F136	S64-H132 PolarHBondContact O-CE1 2.87Å; S64-H132 PolarHBondContact O-NE2 2.8Å; P128-H132 VanDerWaalsContact O-CB 3.26Å; P128-H132 WeakPolarHBondContact O-CB 3.3Å; P128-H132 PolarHBondContact O-N 3.5Å; L129-H132 WeakPolarHBondContact O-CB 3.48Å; L129-H132 PolarHBondContact O-N 3.09Å; L130-H132 VanDerWaalsContact C-N 3.33Å; H132-R134 VanDerWaalsContact C-N 3.3Å; H132-R134 PolarHBondContact O-N 3.22Å; H132-A135 WeakPolarHBondContact O-CB 3.33Å; H132-A135 PolarHBondContact O-N 2.92Å; H132-F136 AromaticContact CE1-CE2 3.52Å; H132-F136 WeakPolarHBondContact O-CD2 3.23Å
133	Y	92.8	Very high	91.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.008	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-41.8	177.1	-78.1	10.9	0	0	0	111.6	R65 L129 L130 A135 F136 G137 V138 L528 F536 K547	R65-Y133 PolarHBondContact NH1-OH 2.94Å; R65-Y133 PolarHBondContact NH2-OH 3.31Å; L129-Y133 HydrophobicContact CD1-CD1 4.1Å; L129-Y133 HydrophobicContact CD1-CE1 3.53Å; L129-Y133 HydrophobicContact CG-CD1 4.4Å; L129-Y133 HydrophobicContact CG-CE1 4.11Å; L129-Y133 HydrophobicContact CG-CE2 4.47Å; L129-Y133 PolarHBondContact O-N 2.92Å; L130-Y133 PolarHBondContact O-N 3.1Å; Y133-A135 VanDerWaalsContact C-N 3.28Å; Y133-A135 PolarHBondContact O-N 2.97Å; Y133-F136 CarbonylContact O-C 3.57Å; Y133-F136 WeakPolarHBondContact O-CA 3.48Å; Y133-F136 PolarHBondContact O-N 2.94Å; Y133-G137 PolarHBondContact O-N 3.33Å; Y133-V138 CarbonylContact C-O 3.59Å; Y133-V138 VanDerWaalsContact CB-O 3.24Å; Y133-V138 WeakPolarHBondContact CB-O 3.39Å; Y133-V138 HydrophobicContact CD2-CG1 4.07Å; Y133-V138 HydrophobicContact CG-CG1 4.4Å; Y133-V138 PolarHBondContact O-N 3.25Å; Y133-V138 VanDerWaalsContact O-O 3.06Å; Y133-L528 HydrophobicContact CE2-CD1 3.88Å; Y133-L528 WeakPolarHBondContact OH-CD1 3.36Å; Y133-F536 HydrophobicContact CD1-CE1 4.21Å; Y133-F536 AromaticContact CD1-CZ 3.76Å; Y133-F536 HydrophobicContact CD1-CZ 3.76Å; Y133-F536 AromaticContact CE1-CZ 3.68Å; Y133-F536 HydrophobicContact CE1-CZ 3.68Å; Y133-F536 HydrophobicContact CG-CZ 4.31Å; Y133-K547 HydrophobicContact CD2-CB 4.31Å; Y133-K547 HydrophobicContact CD2-CG 4.19Å; Y133-K547 HydrophobicContact CE2-CB 4.07Å; Y133-K547 HydrophobicContact CE2-CG 3.89Å
134	R	91.6	Very high	91.6	Very high	124 Å²	124	43.7 Å²	43.7	47%	0.468	23%	0.232	S	C	.	.	H	α-helix	trans	-60.7	-37.8	179.3	-171.8	179.3	179.2	127.6	11.6	112.2	L130 R131 H132 F136 G137 V138 V225 S226	L130-R134 WeakPolarHBondContact O-CB 3.48Å; L130-R134 PolarHBondContact O-N 2.91Å; R131-R134 PolarHBondContact O-N 3.33Å; H132-R134 VanDerWaalsContact C-N 3.3Å; H132-R134 PolarHBondContact O-N 3.22Å; R134-F136 PolarHBondContact O-N 2.78Å; R134-F136 VanDerWaalsContact O-N 3.17Å; R134-G137 PolarHBondContact O-N 3.33Å; R134-V138 VanDerWaalsContact CA-O 3.28Å; R134-V138 WeakPolarHBondContact CA-O 3.29Å; R134-V138 PolarHBondContact N-O 2.79Å; R134-V225 PolarHBondContact NH1-O 3.34Å; R134-S226 PolarHBondContact NH1-OG 3.4Å
135	A	92.5	Very high	91	Very high	78 Å²	78	36.5 Å²	36.5	65%	0.645	20%	0.198	S	C	*	.	H	α-helix	trans	-60.6	-22.5	175.6	0	0	0	0	0	113.3	R131 H132 Y133	R131-A135 PolarHBondContact O-N 2.7Å; H132-A135 WeakPolarHBondContact O-CB 3.33Å; H132-A135 PolarHBondContact O-N 2.92Å; Y133-A135 VanDerWaalsContact C-N 3.28Å; Y133-A135 PolarHBondContact O-N 2.97Å
136	F	93.3	Very high	90.3	Very high	17 Å²	17	35.3 Å²	35.3	8%	0.075	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	22.5	175.7	-66	-85.7	0	0	0	113	R63 H132 Y133 R134 V138 F536 G539 P599	R63-F136 HydrophobicContact CG-CE1 4.29Å; H132-F136 AromaticContact CE1-CE2 3.52Å; H132-F136 WeakPolarHBondContact O-CD2 3.23Å; Y133-F136 CarbonylContact O-C 3.57Å; Y133-F136 WeakPolarHBondContact O-CA 3.48Å; Y133-F136 PolarHBondContact O-N 2.94Å; R134-F136 PolarHBondContact O-N 2.78Å; R134-F136 VanDerWaalsContact O-N 3.17Å; F136-V138 VanDerWaalsContact C-N 3.32Å; F136-V138 PolarHBondContact O-N 3.35Å; F136-F536 HydrophobicContact CB-CD1 3.8Å; F136-F536 HydrophobicContact CB-CE1 3.95Å; F136-G539 CarbonylContact O-C 3.51Å; F136-P599 HydrophobicContact CE2-CB 3.97Å; F136-P599 HydrophobicContact CZ-CB 3.63Å
137	G	92.4	Very high	89.5	Confident	33 Å²	33	36 Å²	36	34%	0.34	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	16.4	175.4	0	0	0	0	0	115	Y133 R134 G539	Y133-G137 PolarHBondContact O-N 3.33Å; R134-G137 PolarHBondContact O-N 3.33Å; G137-G539 WeakPolarHBondContact O-CA 3.44Å
138	V	94.4	Very high	88.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.9	179.6	179.2	0	0	0	0	110.1	Y133 R134 F136 F536 V545 K547	Y133-V138 CarbonylContact C-O 3.59Å; Y133-V138 VanDerWaalsContact CB-O 3.24Å; Y133-V138 WeakPolarHBondContact CB-O 3.39Å; Y133-V138 HydrophobicContact CD2-CG1 4.07Å; Y133-V138 HydrophobicContact CG-CG1 4.4Å; Y133-V138 PolarHBondContact O-N 3.25Å; Y133-V138 VanDerWaalsContact O-O 3.06Å; R134-V138 VanDerWaalsContact CA-O 3.28Å; R134-V138 WeakPolarHBondContact CA-O 3.29Å; R134-V138 PolarHBondContact N-O 2.79Å; F136-V138 VanDerWaalsContact C-N 3.32Å; F136-V138 PolarHBondContact O-N 3.35Å; V138-F536 HydrophobicContact CB-CE1 4.41Å; V138-F536 HydrophobicContact CG2-CD1 3.87Å; V138-F536 HydrophobicContact CG2-CE1 4.03Å; V138-F536 HydrophobicContact CG2-CG 4.36Å; V138-V545 HydrophobicContact CG1-CG1 4.32Å; V138-V545 HydrophobicContact CG2-CB 4.38Å; V138-V545 HydrophobicContact CG2-CG1 4.26Å; V138-K547 HydrophobicContact CG1-CB 4.45Å; V138-K547 HydrophobicContact CG1-CG 3.72Å
139	S	94.7	Very high	88	Confident	26 Å²	26	40 Å²	40	18%	0.182	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-176.8	174.8	-68.7	0	0	0	0	111.1	V545 Y546 K547	S139-V545 PolarHBondContact N-O 2.91Å; S139-Y546 VanDerWaalsContact CB-CD1 3.4Å; S139-Y546 CarbonylContact O-C 3.39Å; S139-Y546 WeakPolarHBondContact O-CA 3.42Å; S139-K547 PolarHBondContact O-N 2.8Å
140	A	92.9	Very high	87.5	Confident	12 Å²	12	39.5 Å²	39.5	10%	0.099	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147	-179.3	0	0	0	0	0	113.2	L130 L142 F230 K547 V549	L130-A140 HydrophobicContact CD2-CB 3.41Å; L130-A140 VanDerWaalsContact CD2-CB 3.41Å; A140-L142 HydrophobicContact CB-CD2 4.06Å; A140-F230 PolarHBondContact O-N 3.28Å; A140-K547 CarbonylContact C-O 3.47Å; A140-K547 VanDerWaalsContact CA-O 3.26Å; A140-K547 WeakPolarHBondContact CA-O 3.3Å; A140-V549 HydrophobicContact CB-CB 4.21Å; A140-V549 HydrophobicContact CB-CG2 3.81Å
141	I	93.8	Very high	87.2	Confident	6 Å²	6	41 Å²	41	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.2	160.2	-58.7	146.5	0	0	0	105.2	F230 A232 M378 M494 Y546 K547 Y548 V549	I141-F230 WeakPolarHBondContact CA-O 3.46Å; I141-F230 HydrophobicContact CB-CB 4.12Å; I141-F230 HydrophobicContact CG1-CB 3.58Å; I141-F230 HydrophobicContact CG1-CG 4.25Å; I141-F230 HydrophobicContact CG2-CB 4.1Å; I141-A232 HydrophobicContact CG2-CB 4.11Å; I141-M378 HydrophobicContact CD1-CE 3.83Å; I141-M378 HydrophobicContact CD1-SD 4.48Å; I141-M378 HydrophobicContact CG1-CE 3.86Å; I141-M378 HydrophobicContact CG2-CE 4.18Å; I141-M378 HydrophobicContact CG2-SD 4.43Å; I141-M494 HydrophobicContact CD1-CE 4.24Å; I141-Y546 HydrophobicContact CG1-CD1 4.33Å; I141-Y546 HydrophobicContact CG1-CG 4.41Å; I141-K547 PolarHBondContact N-O 2.87Å; I141-Y548 HydrophobicContact CB-CD2 4.17Å; I141-Y548 HydrophobicContact CG2-CD2 3.81Å; I141-Y548 HydrophobicContact CG2-CE2 4.16Å; I141-Y548 WeakPolarHBondContact O-CA 3.37Å; I141-V549 PolarHBondContact O-N 3.07Å
142	L	91.6	Very high	86.9	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	138.8	-178	-60.5	-174.5	0	0	0	111.4	I126 L130 A140 A221 F230 I231 A232 V549 Y551	I126-L142 HydrophobicContact CD1-CD1 4.01Å; I126-L142 HydrophobicContact CD1-CD2 4.06Å; L130-L142 HydrophobicContact CD1-CD1 4.48Å; L130-L142 HydrophobicContact CD1-CD2 3.99Å; L130-L142 HydrophobicContact CD2-CD2 4.01Å; A140-L142 HydrophobicContact CB-CD2 4.06Å; L142-A221 HydrophobicContact CD1-CB 3.93Å; L142-F230 PolarHBondContact N-O 2.79Å; L142-F230 VanDerWaalsContact N-O 3.11Å; L142-I231 HydrophobicContact CB-CG2 4.3Å; L142-A232 PolarHBondContact O-N 3.18Å; L142-V549 HydrophobicContact CD2-CB 4.17Å; L142-V549 HydrophobicContact CD2-CG1 4.16Å; L142-Y551 HydrophobicContact CB-CE1 4.43Å
143	D	85.8	Confident	86.7	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.043	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.4	171.9	180	22.7	0	0	0	109.7	G145 Y548 V549 P550 Y551	D143-G145 PolarHBondContact O-N 3.36Å; D143-Y548 HydrophobicContact CB-CD1 4.26Å; D143-Y548 HydrophobicContact CB-CE1 3.38Å; D143-Y548 HydrophobicContact CB-CE2 4.29Å; D143-Y548 VanDerWaalsContact CB-CZ 3.41Å; D143-Y548 VanDerWaalsContact CB-OH 3.3Å; D143-Y548 WeakPolarHBondContact CB-OH 3.28Å; D143-Y548 WeakPolarHBondContact OD2-CE1 3.47Å; D143-Y548 VanDerWaalsContact OD2-CZ 3.26Å; D143-Y548 PolarHBondContact OD2-OH 3.31Å; D143-V549 PolarHBondContact N-O 3.15Å; D143-P550 CarbonylContact O-C 3.49Å; D143-P550 WeakPolarHBondContact O-CA 3.46Å; D143-Y551 WeakPolarHBondContact O-CD1 3.36Å; D143-Y551 PolarHBondContact O-N 3.24Å
144	Y	83.5	Confident	86.5	Confident	46 Å²	46	46.3 Å²	46.3	18%	0.18	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	95	176.1	-173.6	-114.1	0	0	0	109.2	V146 R198 T214 Y551	Y144-V146 HydrophobicContact CD1-CB 3.79Å; Y144-V146 HydrophobicContact CD1-CG2 3.91Å; Y144-V146 HydrophobicContact CE1-CB 3.42Å; Y144-V146 VanDerWaalsContact CE1-CB 3.42Å; Y144-V146 HydrophobicContact CE1-CG1 4.17Å; Y144-V146 HydrophobicContact CE1-CG2 3.26Å; Y144-V146 HydrophobicContact CE2-CG2 3.98Å; Y144-V146 PolarHBondContact O-N 3.43Å; Y144-V146 WeakPolarHBondContact OH-CG2 3.45Å; Y144-R198 PolarHBondContact O-NH1 3.09Å; Y144-T214 HydrophobicContact CD1-CG2 3.22Å; Y144-T214 HydrophobicContact CD2-CG2 4.38Å; Y144-T214 HydrophobicContact CE1-CG2 3.92Å; Y144-T214 HydrophobicContact CG-CG2 3.46Å; Y144-T214 VanDerWaalsContact CG-CG2 3.46Å; Y144-Y551 CarbonylContact C-O 3.37Å; Y144-Y551 AromaticContact CD2-CD2 3.89Å; Y144-Y551 HydrophobicContact CD2-CD2 3.89Å; Y144-Y551 HydrophobicContact CD2-CE1 4.19Å; Y144-Y551 AromaticContact CD2-CE2 3.44Å; Y144-Y551 HydrophobicContact CD2-CE2 3.44Å; Y144-Y551 VanDerWaalsContact CD2-CE2 3.44Å; Y144-Y551 HydrophobicContact CD2-CG 4.44Å; Y144-Y551 AromaticContact CD2-CZ 3.61Å; Y144-Y551 WeakPolarHBondContact CD2-O 3.38Å; Y144-Y551 HydrophobicContact CE2-CD2 4.24Å; Y144-Y551 AromaticContact CE2-CE2 3.87Å; Y144-Y551 HydrophobicContact CE2-CE2 3.87Å
145	G	75.6	Confident	86.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.			trans	-73.3	15	-166.7	0	0	0	0	0	116.6	D143 Y551 V557	D143-G145 PolarHBondContact O-N 3.36Å; G145-Y551 PolarHBondContact N-O 3.49Å; G145-V557 WeakPolarHBondContact O-CG1 3.47Å
146	V	77.6	Confident	86.3	Confident	25 Å²	25	39.2 Å²	39.2	15%	0.152	21%	0.213	C	C	.	.			trans	-71.9	127.3	175.6	165.6	0	0	0	0	109.8	Y144 R198 E556	Y144-V146 HydrophobicContact CD1-CB 3.79Å; Y144-V146 HydrophobicContact CD1-CG2 3.91Å; Y144-V146 HydrophobicContact CE1-CB 3.42Å; Y144-V146 VanDerWaalsContact CE1-CB 3.42Å; Y144-V146 HydrophobicContact CE1-CG1 4.17Å; Y144-V146 HydrophobicContact CE1-CG2 3.26Å; Y144-V146 HydrophobicContact CE2-CG2 3.98Å; Y144-V146 PolarHBondContact O-N 3.43Å; Y144-V146 WeakPolarHBondContact OH-CG2 3.45Å; V146-R198 PolarHBondContact O-NH1 3.43Å; V146-R198 PolarHBondContact O-NH2 3.39Å; V146-E556 HydrophobicContact CB-CB 4.16Å; V146-E556 HydrophobicContact CG1-CB 3.89Å; V146-E556 HydrophobicContact CG1-CG 4.42Å; V146-E556 WeakPolarHBondContact CG1-OE2 3.28Å; V146-E556 HydrophobicContact CG2-CB 3.64Å; V146-E556 VanDerWaalsContact CG2-OE2 3.29Å; V146-E556 WeakPolarHBondContact CG2-OE2 3.49Å
147	E	76.6	Confident	86.2	Confident	15 Å²	15	43.5 Å²	43.5	7%	0.07	23%	0.233	C	C	.	.			trans	-125.2	151.8	-177.3	-58.8	-159.9	-152.3	0	0	112.3	D149 R198 E556 P559 R563	E147-D149 PolarHBondContact O-N 3.32Å; E147-R198 HydrophobicContact CG-CG 4.22Å; E147-E556 PolarHBondContact N-O 2.99Å; E147-E556 VanDerWaalsContact N-O 3.11Å; E147-P559 HydrophobicContact CB-CB 4.27Å; E147-P559 HydrophobicContact CB-CG 4.47Å; E147-R563 IonicContact OE1-CZ 3.57Å; E147-R563 IonicContact OE1-NH1 2.73Å; E147-R563 PolarHBondContact OE1-NH1 3.33Å; E147-R563 IonicContact OE1-NH2 2.69Å; E147-R563 PolarHBondContact OE1-NH2 3.27Å; E147-R563 IonicContact OE2-CZ 3.19Å; E147-R563 IonicContact OE2-NH1 3.65Å; E147-R563 PolarHBondContact OE2-NH1 3.38Å; E147-R563 IonicContact OE2-NH2 2.76Å; E147-R563 PolarHBondContact OE2-NH2 2.89Å
148	E	76.6	Confident	86.2	Confident	45 Å²	45	44.6 Å²	44.6	21%	0.21	23%	0.229	C	C	.	.			trans	-73.1	124.6	176.1	-58.7	-164.7	170.4	0	0	110.2	L150 K158 K207	E148-L150 VanDerWaalsContact C-N 3.29Å; E148-L150 HydrophobicContact CB-CD1 4.35Å; E148-L150 HydrophobicContact CB-CD2 4.39Å; E148-L150 HydrophobicContact CB-CG 3.91Å; E148-L150 PolarHBondContact O-N 3.35Å; E148-L150 VanDerWaalsContact O-N 3.15Å; E148-K158 IonicContact OE2-NZ 2.66Å; E148-K207 WeakPolarHBondContact OE1-CE 3.33Å; E148-K207 IonicContact OE1-NZ 2.88Å; E148-K207 PolarHBondContact OE1-NZ 3.01Å
149	D	75.1	Confident	86	Confident	145 Å²	145	45 Å²	45	78%	0.775	23%	0.23	S	C	*	.			trans	-86.7	72.4	173.4	-164.4	20.8	0	0	0	109.1	E147	E147-D149 PolarHBondContact O-N 3.32Å
150	L	82.3	Confident	85.8	Confident	23 Å²	23	44.7 Å²	44.7	12%	0.12	23%	0.226	C	C	.	.			trans	-91.6	142.6	175.4	-57.4	178.3	0	0	0	110.5	E148 E154 A155 K158 R191 F201	E148-L150 VanDerWaalsContact C-N 3.29Å; E148-L150 HydrophobicContact CB-CD1 4.35Å; E148-L150 HydrophobicContact CB-CD2 4.39Å; E148-L150 HydrophobicContact CB-CG 3.91Å; E148-L150 PolarHBondContact O-N 3.35Å; E148-L150 VanDerWaalsContact O-N 3.15Å; L150-E154 HydrophobicContact CB-CB 4.34Å; L150-A155 HydrophobicContact CB-CB 4.3Å; L150-A155 HydrophobicContact CD1-CB 4.44Å; L150-K158 HydrophobicContact CD1-CD 3.9Å; L150-K158 VanDerWaalsContact CD2-NZ 3.31Å; L150-R191 PolarHBondContact O-NH1 2.85Å; L150-R191 PolarHBondContact O-NH2 3.09Å; L150-F201 HydrophobicContact CD1-CB 3.95Å; L150-F201 HydrophobicContact CD1-CD2 3.55Å; L150-F201 HydrophobicContact CD1-CE2 4.22Å; L150-F201 HydrophobicContact CD1-CG 3.8Å
151	S	85.1	Confident	85.7	Confident	41 Å²	41	49 Å²	49	29%	0.287	24%	0.244	S	C	.	.			trans	-62.5	156.5	165.8	83.6	0	0	0	0	110.3	E153 E154 A155 R191	S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 2.98Å; S151-E154 PolarHBondContact N-OE2 3.35Å; S151-E154 PolarHBondContact O-N 3.14Å; S151-E154 WeakPolarHBondContact OG-CB 3.38Å; S151-E154 VanDerWaalsContact OG-CG 3.25Å; S151-E154 WeakPolarHBondContact OG-CG 3.38Å; S151-E154 PolarHBondContact OG-N 3.05Å; S151-E154 VanDerWaalsContact OG-N 3.09Å; S151-A155 WeakPolarHBondContact O-CB 3.22Å; S151-A155 PolarHBondContact O-N 2.94Å; S151-R191 PolarHBondContact O-NH2 3.11Å
152	P	85.3	Confident	85.5	Confident	70 Å²	70	48.9 Å²	48.9	46%	0.455	24%	0.244	S	C	.	.	H	α-helix	trans	-55.2	-41.6	175.1	-27.5	36.1	0	0	0	112.8	A155 E156	P152-A155 PolarHBondContact O-N 3.34Å; P152-E156 WeakPolarHBondContact O-CB 2.9Å; P152-E156 VanDerWaalsContact O-CG 3.31Å; P152-E156 WeakPolarHBondContact O-CG 3.46Å; P152-E156 PolarHBondContact O-N 2.93Å
153	E	87.5	Confident	85.2	Confident	155 Å²	155	49 Å²	49	72%	0.724	25%	0.245	S	C	*	.	H	α-helix	trans	-64.8	-42.5	179.1	-63.7	166	-174	0	0	112.2	S151 E156 H157	S151-E153 VanDerWaalsContact C-N 3.25Å; S151-E153 PolarHBondContact O-N 2.98Å; E153-E156 PolarHBondContact O-N 3.5Å; E153-H157 WeakPolarHBondContact O-CB 3.45Å; E153-H157 PolarHBondContact O-N 3.39Å
154	E	88.9	Confident	85.1	Confident	102 Å²	102	50 Å²	50	48%	0.477	25%	0.251	S	S	.	.	H	α-helix	trans	-65.7	-40.6	176.1	-73.1	170.5	166.6	0	0	111.8	L150 S151 K158	L150-E154 HydrophobicContact CB-CB 4.34Å; S151-E154 PolarHBondContact N-OE2 3.35Å; S151-E154 PolarHBondContact O-N 3.14Å; S151-E154 WeakPolarHBondContact OG-CB 3.38Å; S151-E154 VanDerWaalsContact OG-CG 3.25Å; S151-E154 WeakPolarHBondContact OG-CG 3.38Å; S151-E154 PolarHBondContact OG-N 3.05Å; S151-E154 VanDerWaalsContact OG-N 3.09Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.48Å
155	A	88.5	Confident	84.9	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-46.5	176.4	0	0	0	0	0	111.3	L150 S151 P152 K158 E159 D189 F201	L150-A155 HydrophobicContact CB-CB 4.3Å; L150-A155 HydrophobicContact CD1-CB 4.44Å; S151-A155 WeakPolarHBondContact O-CB 3.22Å; S151-A155 PolarHBondContact O-N 2.94Å; P152-A155 PolarHBondContact O-N 3.34Å; A155-K158 PolarHBondContact O-N 3.4Å; A155-E159 WeakPolarHBondContact O-CB 3.4Å; A155-E159 PolarHBondContact O-N 3.24Å; A155-D189 HydrophobicContact CB-CB 4Å; A155-F201 HydrophobicContact CB-CD1 4.36Å; A155-F201 HydrophobicContact CB-CE1 3.72Å; A155-F201 HydrophobicContact CB-CE2 4.08Å; A155-F201 HydrophobicContact CB-CZ 3.56Å
156	E	91.4	Very high	84.8	Confident	53 Å²	53	49.6 Å²	49.6	25%	0.248	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-51.2	174.7	-75.9	171.5	-164.8	0	0	111.5	P152 E153 K158 E159 M160 W185 D189	P152-E156 WeakPolarHBondContact O-CB 2.9Å; P152-E156 VanDerWaalsContact O-CG 3.31Å; P152-E156 WeakPolarHBondContact O-CG 3.46Å; P152-E156 PolarHBondContact O-N 2.93Å; E153-E156 PolarHBondContact O-N 3.5Å; E156-K158 PolarHBondContact O-N 3.48Å; E156-E159 PolarHBondContact O-N 2.99Å; E156-M160 VanDerWaalsContact O-CG 3.26Å; E156-M160 WeakPolarHBondContact O-CG 3.32Å; E156-M160 PolarHBondContact O-N 2.81Å; E156-W185 HydrophobicContact CB-CE3 4.4Å; E156-W185 HydrophobicContact CB-CZ3 4.47Å; E156-D189 HydrophobicContact CG-CB 4.08Å; E156-D189 VanDerWaalsContact CG-N 3.32Å
157	H	90.8	Very high	84.3	Confident	108 Å²	108	49.9 Å²	49.9	50%	0.5	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-46.5	-179.1	-172.1	-76.5	0	0	0	112.3	E153 E159 M160 E161	E153-H157 WeakPolarHBondContact O-CB 3.45Å; E153-H157 PolarHBondContact O-N 3.39Å; H157-E159 PolarHBondContact O-N 3.48Å; H157-M160 PolarHBondContact O-N 3.3Å; H157-E161 IonicContact CE1-OE2 3.4Å; H157-E161 IonicContact ND1-OE2 3.35Å; H157-E161 WeakPolarHBondContact O-CB 3.34Å; H157-E161 PolarHBondContact O-N 2.92Å
158	K	91.9	Very high	84.1	Confident	56 Å²	56	50.2 Å²	50.2	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-42	177.5	-79.1	-176	178.6	178.7	0	112.2	E148 L150 E154 A155 E156 S162 F201	E148-K158 IonicContact OE2-NZ 2.66Å; L150-K158 HydrophobicContact CD1-CD 3.9Å; L150-K158 VanDerWaalsContact CD2-NZ 3.31Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.48Å; E154-K158 PolarHBondContact O-N 3.48Å; A155-K158 PolarHBondContact O-N 3.4Å; E156-K158 PolarHBondContact O-N 3.48Å; K158-S162 WeakPolarHBondContact O-CB 3.43Å; K158-S162 PolarHBondContact O-N 3.21Å; K158-S162 PolarHBondContact O-OG 3.36Å; K158-F201 HydrophobicContact CB-CB 4.49Å; K158-F201 HydrophobicContact CD-CB 4.25Å
159	E	90.8	Very high	83.9	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-48.9	178.4	-174	68.5	-163	0	0	110.6	A155 E156 H157 E161 S162 C163 G188 R190 F201	A155-E159 WeakPolarHBondContact O-CB 3.4Å; A155-E159 PolarHBondContact O-N 3.24Å; E156-E159 PolarHBondContact O-N 2.99Å; H157-E159 PolarHBondContact O-N 3.48Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.48Å; E159-S162 PolarHBondContact O-N 3.25Å; E159-S162 PolarHBondContact O-OG 3.39Å; E159-S162 VanDerWaalsContact O-OG 3.13Å; E159-C163 VanDerWaalsContact O-CB 3.32Å; E159-C163 WeakPolarHBondContact O-CB 3.31Å; E159-C163 PolarHBondContact O-N 2.89Å; E159-C163 PolarHBondContact OE1-SG 2.93Å; E159-G188 WeakPolarHBondContact CB-O 3.47Å; E159-G188 VanDerWaalsContact CG-O 3.29Å; E159-G188 WeakPolarHBondContact CG-O 3.19Å; E159-R190 HydrophobicContact CG-CG 4.4Å; E159-R190 WeakPolarHBondContact OE1-CD 3.41Å; E159-R190 IonicContact OE1-CZ 2.95Å; E159-R190 IonicContact OE1-NE 2.81Å; E159-R190 PolarHBondContact OE1-NE 2.87Å; E159-R190 IonicContact OE1-NH2 3.87Å; E159-R190 IonicContact OE2-CZ 3.13Å; E159-R190 IonicContact OE2-NE 3.75Å; E159-R190 PolarHBondContact OE2-NE 3.3Å; E159-R190 IonicContact OE2-NH2 2.53Å; E159-R190 PolarHBondContact OE2-NH2 3.22Å; E159-F201 HydrophobicContact CB-CD1 4.34Å; E159-F201 HydrophobicContact CB-CE1 4.34Å
160	M	91.1	Very high	83.5	Confident	20 Å²	20	54 Å²	54	10%	0.099	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-45	178.3	-67.3	-54.8	-59.2	0	0	111.6	E156 H157 S162 T164 A183 W185	E156-M160 VanDerWaalsContact O-CG 3.26Å; E156-M160 WeakPolarHBondContact O-CG 3.32Å; E156-M160 PolarHBondContact O-N 2.81Å; H157-M160 PolarHBondContact O-N 3.3Å; M160-S162 PolarHBondContact O-N 3.31Å; M160-T164 VanDerWaalsContact O-CB 3.24Å; M160-T164 WeakPolarHBondContact O-CB 3.3Å; M160-T164 PolarHBondContact O-N 2.82Å; M160-T164 VanDerWaalsContact O-N 3.16Å; M160-T164 PolarHBondContact O-OG1 3.24Å; M160-A183 HydrophobicContact CE-CB 3.77Å; M160-A183 HydrophobicContact SD-CB 3.77Å; M160-W185 HydrophobicContact CB-CH2 4.06Å; M160-W185 HydrophobicContact CB-CZ2 4.09Å; M160-W185 HydrophobicContact CB-CZ3 4.34Å; M160-W185 HydrophobicContact CE-CD2 4.34Å; M160-W185 HydrophobicContact CE-CG 4.27Å; M160-W185 HydrophobicContact CG-CD2 3.66Å; M160-W185 HydrophobicContact CG-CE3 3.66Å; M160-W185 HydrophobicContact CG-CG 4.3Å; M160-W185 HydrophobicContact CG-CH2 3.92Å; M160-W185 HydrophobicContact CG-CZ2 3.93Å; M160-W185 HydrophobicContact CG-CZ3 3.79Å; M160-W185 HydrophobicContact SD-CD2 4.25Å; M160-W185 HydrophobicContact SD-CG 4.27Å
161	E	89.5	Confident	82.5	Confident	102 Å²	102	55.4 Å²	55.4	48%	0.477	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-44	177.5	-172.2	-179.4	179.7	0	0	112	H157 E159 R169 R240	H157-E161 IonicContact CE1-OE2 3.4Å; H157-E161 IonicContact ND1-OE2 3.35Å; H157-E161 WeakPolarHBondContact O-CB 3.34Å; H157-E161 PolarHBondContact O-N 2.92Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 3.48Å; E161-R169 PolarHBondContact O-NH2 2.85Å; E161-R240 PolarHBondContact O-NH2 3.31Å
162	S	89.4	Confident	80.9	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.028	31%	0.313	C	S	.	.	H	α-helix	trans	-78.9	-25.1	-173.7	69.2	0	0	0	0	114.3	K158 E159 M160 R240 P241 Q242	K158-S162 WeakPolarHBondContact O-CB 3.43Å; K158-S162 PolarHBondContact O-N 3.21Å; K158-S162 PolarHBondContact O-OG 3.36Å; E159-S162 PolarHBondContact O-N 3.25Å; E159-S162 PolarHBondContact O-OG 3.39Å; E159-S162 VanDerWaalsContact O-OG 3.13Å; M160-S162 PolarHBondContact O-N 3.31Å; S162-R240 VanDerWaalsContact O-CG 3.23Å; S162-R240 WeakPolarHBondContact O-CG 3.46Å; S162-R240 PolarHBondContact O-NE 2.75Å; S162-P241 WeakPolarHBondContact OG-CG 3.44Å; S162-Q242 VanDerWaalsContact O-CB 3.24Å; S162-Q242 WeakPolarHBondContact O-CB 3.27Å; S162-Q242 PolarHBondContact O-N 3.42Å
163	C	86.4	Confident	79.4	Confident	2 Å²	2	55.5 Å²	55.5	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-95.1	-14.2	178.6	-77.2	0	0	0	0	114.2	E159 A183 P241 L245	E159-C163 VanDerWaalsContact O-CB 3.32Å; E159-C163 WeakPolarHBondContact O-CB 3.31Å; E159-C163 PolarHBondContact O-N 2.89Å; E159-C163 PolarHBondContact OE1-SG 2.93Å; C163-A183 HydrophobicContact CB-CB 3.76Å; C163-P241 VanDerWaalsContact SG-CG 3.51Å; C163-L245 HydrophobicContact CB-CD2 4.43Å
164	T	83.9	Confident	77.6	Confident	30 Å²	30	51.1 Å²	51.1	18%	0.184	29%	0.285	C	S	.	.			trans	-90	125.5	179.1	-52.4	0	0	0	0	111.3	M160 E168 R169 R240	M160-T164 VanDerWaalsContact O-CB 3.24Å; M160-T164 WeakPolarHBondContact O-CB 3.3Å; M160-T164 PolarHBondContact O-N 2.82Å; M160-T164 VanDerWaalsContact O-N 3.16Å; M160-T164 PolarHBondContact O-OG1 3.24Å; T164-E168 HydrophobicContact CG2-CB 3.64Å; T164-R169 HydrophobicContact CG2-CG 3.85Å; T164-R240 PolarHBondContact O-NH2 2.95Å
165	S	78.4	Confident	75.7	Confident	3 Å²	3	53.9 Å²	53.9	2%	0.021	30%	0.303	C	S	.	.			trans	-72.4	161.6	176.7	65.1	0	0	0	0	113.3	A167 E168 R169 Q242	S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 PolarHBondContact O-N 3.15Å; S165-E168 WeakPolarHBondContact CB-OE2 3.42Å; S165-E168 PolarHBondContact N-OE2 2.95Å; S165-E168 PolarHBondContact O-N 3Å; S165-E168 WeakPolarHBondContact OG-CB 3.24Å; S165-E168 VanDerWaalsContact OG-CD 3.26Å; S165-E168 WeakPolarHBondContact OG-CG 3.38Å; S165-E168 PolarHBondContact OG-N 3.25Å; S165-E168 PolarHBondContact OG-OE2 3.05Å; S165-R169 WeakPolarHBondContact O-CG 3.2Å; S165-R169 PolarHBondContact O-N 2.83Å; S165-Q242 VanDerWaalsContact CA-NE2 3.27Å
166	A	74.3	Confident	74.3	Confident	35 Å²	35	58.4 Å²	58.4	29%	0.289	32%	0.322	S	S	.	.	H	α-helix	trans	-57.7	-44	173.9	0	0	0	0	0	111.9	E168 R169 D170 T349 E352	A166-E168 VanDerWaalsContact C-N 3.29Å; A166-E168 PolarHBondContact O-N 3.44Å; A166-R169 PolarHBondContact O-N 3.29Å; A166-D170 PolarHBondContact O-N 3.04Å; A166-T349 HydrophobicContact CB-CG2 3.89Å; A166-E352 PolarHBondContact N-OE1 2.84Å
167	A	67.4	Low	73.2	Confident	31 Å²	31	57.2 Å²	57.2	26%	0.256	32%	0.316	S	S	.	.	H	α-helix	trans	-62.5	-32.4	-179.6	0	0	0	0	0	113.8	S165 S172 G173	S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 PolarHBondContact O-N 3.15Å; A167-S172 PolarHBondContact O-N 2.77Å; A167-S172 PolarHBondContact O-OG 3.14Å; A167-G173 PolarHBondContact O-N 3.31Å
168	E	72.4	Confident	72.6	Confident	21 Å²	21	54.5 Å²	54.5	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-74.3	-37.1	175.9	-75.3	166.7	140.7	0	0	112.6	T164 S165 A166 D170 G171 T174 R177	T164-E168 HydrophobicContact CG2-CB 3.64Å; S165-E168 WeakPolarHBondContact CB-OE2 3.42Å; S165-E168 PolarHBondContact N-OE2 2.95Å; S165-E168 PolarHBondContact O-N 3Å; S165-E168 WeakPolarHBondContact OG-CB 3.24Å; S165-E168 VanDerWaalsContact OG-CD 3.26Å; S165-E168 WeakPolarHBondContact OG-CG 3.38Å; S165-E168 PolarHBondContact OG-N 3.25Å; S165-E168 PolarHBondContact OG-OE2 3.05Å; A166-E168 VanDerWaalsContact C-N 3.29Å; A166-E168 PolarHBondContact O-N 3.44Å; E168-D170 PolarHBondContact O-N 3.5Å; E168-G171 PolarHBondContact O-N 3.08Å; E168-G171 VanDerWaalsContact O-N 3.08Å; E168-T174 HydrophobicContact CB-CG2 4.39Å; E168-T174 HydrophobicContact CG-CG2 4.46Å; E168-R177 WeakPolarHBondContact OE1-CD 3.23Å; E168-R177 IonicContact OE1-CZ 2.56Å; E168-R177 IonicContact OE1-NE 3.32Å; E168-R177 IonicContact OE1-NH1 3.53Å; E168-R177 PolarHBondContact OE1-NH1 2.91Å; E168-R177 IonicContact OE2-NH1 3.38Å
169	R	72.4	Confident	72.3	Confident	138 Å²	138	57 Å²	57	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-35.4	175.4	-67	177.3	-172.6	-164.4	-1.3	111.6	E161 T164 S165 A166 G171	E161-R169 PolarHBondContact O-NH2 2.85Å; T164-R169 HydrophobicContact CG2-CG 3.85Å; S165-R169 WeakPolarHBondContact O-CG 3.2Å; S165-R169 PolarHBondContact O-N 2.83Å; A166-R169 PolarHBondContact O-N 3.29Å; R169-G171 PolarHBondContact O-N 2.64Å
170	D	65.6	Low	72.3	Confident	133 Å²	133	58.2 Å²	58.2	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	3.5	178.7	-63	-18.4	0	0	0	113.2	A166 E168 S172	A166-D170 PolarHBondContact O-N 3.04Å; E168-D170 PolarHBondContact O-N 3.5Å; D170-S172 PolarHBondContact O-N 3.09Å
171	G	61.1	Low	72.2	Confident	52 Å²	52	57.9 Å²	57.9	54%	0.536	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	4.3	178.4	0	0	0	0	0	114.9	E168 R169	E168-G171 PolarHBondContact O-N 3.08Å; E168-G171 VanDerWaalsContact O-N 3.08Å; R169-G171 PolarHBondContact O-N 2.64Å
172	S	52.9	Low	72	Confident	93 Å²	93	55.4 Å²	55.4	65%	0.65	31%	0.307	S	S	*	.	S	Bend	trans	-83.8	-12.5	-175.1	72.8	0	0	0	0	114.4	A167 D170	A167-S172 PolarHBondContact O-N 2.77Å; A167-S172 PolarHBondContact O-OG 3.14Å; D170-S172 PolarHBondContact O-N 3.09Å
173	G	51.8	Low	71.9	Confident	20 Å²	20	56.5 Å²	56.5	21%	0.206	32%	0.317	C	S	.	.	S	Bend	trans	-124	-6.4	-171.1	0	0	0	0	0	117.3	A167	A167-G173 PolarHBondContact O-N 3.31Å
174	T	50.7	Low	72	Confident	62 Å²	62	60 Å²	60	38%	0.38	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-73.9	-31.8	-167.6	47	0	0	0	0	114.8	E168 K176	E168-T174 HydrophobicContact CB-CG2 4.39Å; E168-T174 HydrophobicContact CG-CG2 4.46Å; T174-K176 VanDerWaalsContact C-N 3.29Å; T174-K176 PolarHBondContact O-N 3.16Å
175	N	48.5	Very low	72.3	Confident	160 Å²	160	65.5 Å²	65.5	86%	0.856	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-80.3	2	-174.2	-77.4	-16.5	0	0	0	115.3
176	K	58.7	Low	72.8	Confident	95 Å²	95	68 Å²	68	41%	0.413	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-126.4	-9.2	-170.8	-70.3	179.1	164.5	-153.5	0	115.7	T174 E342	T174-K176 VanDerWaalsContact C-N 3.29Å; T174-K176 PolarHBondContact O-N 3.16Å; K176-E342 VanDerWaalsContact CD-OE1 3.27Å; K176-E342 WeakPolarHBondContact CD-OE1 3.39Å; K176-E342 IonicContact NZ-OE1 2.92Å
177	R	68.3	Low	73.5	Confident	29 Å²	29	67.7 Å²	67.7	11%	0.109	36%	0.363	C	S	.	.	S	Bend	trans	-81.7	150.1	-177.9	-67.4	-169.3	75.6	-160	-7	111.5	E168 K179 Y181 Q182 E249	E168-R177 WeakPolarHBondContact OE1-CD 3.23Å; E168-R177 IonicContact OE1-CZ 2.56Å; E168-R177 IonicContact OE1-NE 3.32Å; E168-R177 IonicContact OE1-NH1 3.53Å; E168-R177 PolarHBondContact OE1-NH1 2.91Å; E168-R177 IonicContact OE2-NH1 3.38Å; R177-K179 PolarHBondContact O-N 3.49Å; R177-Y181 VanDerWaalsContact CZ-O 3.24Å; R177-Y181 PolarHBondContact NH1-O 3.3Å; R177-Y181 PolarHBondContact NH2-O 2.97Å; R177-Q182 VanDerWaalsContact C-NE2 3.35Å; R177-Q182 HydrophobicContact CB-CG 3.86Å; R177-Q182 VanDerWaalsContact CB-NE2 3.35Å; R177-Q182 PolarHBondContact O-NE2 3.39Å; R177-E249 WeakPolarHBondContact CA-OE1 3.21Å; R177-E249 IonicContact CZ-OE2 3.58Å; R177-E249 IonicContact NE-OE2 3.1Å; R177-E249 PolarHBondContact NE-OE2 3.46Å; R177-E249 IonicContact NH2-OE2 2.9Å; R177-E249 PolarHBondContact NH2-OE2 2.83Å
178	D	80	Confident	74.5	Confident	50 Å²	50	66.2 Å²	66.2	27%	0.267	35%	0.351	S	S	.	.			trans	-65.2	131.1	170.2	-172.4	-43.6	0	0	0	109.6	Q180 Y181 Q182 E249	D178-Q180 PolarHBondContact O-N 3.16Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.22Å; D178-Q180 PolarHBondContact OD1-N 3.42Å; D178-Y181 HydrophobicContact CB-CD2 4.01Å; D178-Y181 PolarHBondContact O-N 3.01Å; D178-Y181 VanDerWaalsContact O-N 3.1Å; D178-Q182 WeakPolarHBondContact O-CG 3.28Å; D178-E249 HydrophobicContact CB-CG 4.28Å; D178-E249 PolarHBondContact N-OE1 3.39Å
179	K	85.8	Confident	75.3	Confident	108 Å²	108	65.4 Å²	65.4	47%	0.47	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-59.6	-31.1	-176.2	-58.7	-177.5	179.6	179.1	0	112.7	R177 Y181 Q182 I457	R177-K179 PolarHBondContact O-N 3.49Å; K179-Y181 VanDerWaalsContact C-N 3.25Å; K179-Y181 PolarHBondContact O-N 3.46Å; K179-Q182 PolarHBondContact O-N 3.12Å; K179-I457 HydrophobicContact CB-CG2 3.67Å; K179-I457 HydrophobicContact CD-CG2 4.36Å
180	Q	88.8	Confident	76.1	Confident	35 Å²	35	58.8 Å²	58.8	16%	0.164	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-61.4	-38.8	178.7	-178.4	175.9	-7.2	0	0	110.9	D178 Q182 Y385 R453 Y459	D178-Q180 PolarHBondContact O-N 3.16Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.22Å; D178-Q180 PolarHBondContact OD1-N 3.42Å; Q180-Q182 PolarHBondContact O-N 3.36Å; Q180-Y385 WeakPolarHBondContact O-CB 3.07Å; Q180-R453 PolarHBondContact O-NH1 3.11Å; Q180-R453 PolarHBondContact O-NH2 2.88Å; Q180-Y459 HydrophobicContact CB-CD1 4.29Å; Q180-Y459 HydrophobicContact CB-CD2 4.06Å; Q180-Y459 HydrophobicContact CB-CE2 4.34Å; Q180-Y459 HydrophobicContact CB-CG 4.04Å; Q180-Y459 HydrophobicContact CG-CD2 4Å; Q180-Y459 HydrophobicContact CG-CE2 3.86Å; Q180-Y459 HydrophobicContact CG-CG 4.46Å
181	Y	89.2	Confident	77.1	Confident	13 Å²	13	54.9 Å²	54.9	5%	0.051	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-99.6	31.2	-173.9	-56.5	-80.5	0	0	0	113.1	R177 D178 K179 L245 S248 E249 A252 Y385 P388	R177-Y181 VanDerWaalsContact CZ-O 3.24Å; R177-Y181 PolarHBondContact NH1-O 3.3Å; R177-Y181 PolarHBondContact NH2-O 2.97Å; D178-Y181 HydrophobicContact CB-CD2 4.01Å; D178-Y181 PolarHBondContact O-N 3.01Å; D178-Y181 VanDerWaalsContact O-N 3.1Å; K179-Y181 VanDerWaalsContact C-N 3.25Å; K179-Y181 PolarHBondContact O-N 3.46Å; Y181-L245 WeakPolarHBondContact O-CD2 3.46Å; Y181-L245 WeakPolarHBondContact O-CG 3.48Å; Y181-S248 VanDerWaalsContact CE1-CB 3.49Å; Y181-E249 HydrophobicContact CD1-CB 4.27Å; Y181-E249 HydrophobicContact CD2-CB 3.9Å; Y181-E249 HydrophobicContact CD2-CG 3.91Å; Y181-E249 HydrophobicContact CG-CB 3.67Å; Y181-E249 HydrophobicContact CG-CG 4.1Å; Y181-A252 HydrophobicContact CE2-CB 3.68Å; Y181-A252 WeakPolarHBondContact OH-CB 3.37Å; Y181-Y385 WeakPolarHBondContact CD1-O 3.42Å; Y181-P388 HydrophobicContact CE1-CG 4.47Å
182	Q	86.1	Confident	78.1	Confident	49 Å²	49	56.2 Å²	56.2	23%	0.229	29%	0.293	C	S	.	.	S	Bend	trans	-114.7	146.4	172.6	-69.7	177.5	39.4	0	0	111.4	R177 D178 K179 Q180 R453	R177-Q182 VanDerWaalsContact C-NE2 3.35Å; R177-Q182 HydrophobicContact CB-CG 3.86Å; R177-Q182 VanDerWaalsContact CB-NE2 3.35Å; R177-Q182 PolarHBondContact O-NE2 3.39Å; D178-Q182 WeakPolarHBondContact O-CG 3.28Å; K179-Q182 PolarHBondContact O-N 3.12Å; Q180-Q182 PolarHBondContact O-N 3.36Å; Q182-R453 PolarHBondContact O-NH2 3.46Å
183	A	87	Confident	79.3	Confident	28 Å²	28	54.2 Å²	54.2	23%	0.231	29%	0.287	C	S	.	.			trans	-68.2	139.6	170.6	0	0	0	0	0	109.8	M160 C163	M160-A183 HydrophobicContact CE-CB 3.77Å; M160-A183 HydrophobicContact SD-CB 3.77Å; C163-A183 HydrophobicContact CB-CB 3.76Å
184	H	89.4	Confident	80.6	Confident	74 Å²	74	53.6 Å²	53.6	34%	0.343	28%	0.279	S	S	.	.			trans	-137.6	128.6	-178.2	-158.1	-88.8	0	0	0	110.3	A186 F187 G188 I457	H184-A186 VanDerWaalsContact C-N 3.32Å; H184-A186 PolarHBondContact O-N 2.98Å; H184-F187 HydrophobicContact CB-CD2 4.41Å; H184-F187 CarbonylContact O-C 3.35Å; H184-F187 PolarHBondContact O-N 2.88Å; H184-G188 PolarHBondContact O-N 3.16Å; H184-G188 VanDerWaalsContact O-N 3.08Å; H184-I457 HydrophobicContact CB-CD1 3.7Å; H184-I457 HydrophobicContact CB-CG1 4.48Å
185	W	88.5	Confident	81.3	Confident	146 Å²	146	53.8 Å²	53.8	55%	0.553	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-54.3	-44.9	-174.6	-76.2	100.1	0	0	0	113.1	E156 M160 F187 G188	E156-W185 HydrophobicContact CB-CE3 4.4Å; E156-W185 HydrophobicContact CB-CZ3 4.47Å; M160-W185 HydrophobicContact CB-CH2 4.06Å; M160-W185 HydrophobicContact CB-CZ2 4.09Å; M160-W185 HydrophobicContact CB-CZ3 4.34Å; M160-W185 HydrophobicContact CE-CD2 4.34Å; M160-W185 HydrophobicContact CE-CG 4.27Å; M160-W185 HydrophobicContact CG-CD2 3.66Å; M160-W185 HydrophobicContact CG-CE3 3.66Å; M160-W185 HydrophobicContact CG-CG 4.3Å; M160-W185 HydrophobicContact CG-CH2 3.92Å; M160-W185 HydrophobicContact CG-CZ2 3.93Å; M160-W185 HydrophobicContact CG-CZ3 3.79Å; M160-W185 HydrophobicContact SD-CD2 4.25Å; M160-W185 HydrophobicContact SD-CG 4.27Å; W185-F187 PolarHBondContact O-N 2.98Å; W185-G188 PolarHBondContact O-N 3.47Å
186	A	89.3	Confident	82.1	Confident	55 Å²	55	47.9 Å²	47.9	46%	0.455	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-58.4	-16.9	178.4	0	0	0	0	0	114.5	H184	H184-A186 VanDerWaalsContact C-N 3.32Å; H184-A186 PolarHBondContact O-N 2.98Å
187	F	90.2	Very high	83	Confident	29 Å²	29	43.9 Å²	43.9	13%	0.127	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-125	18.3	178.9	-57.8	-82.5	0	0	0	112.2	H184 W185 Q449 A452 R453 E456 I457	H184-F187 HydrophobicContact CB-CD2 4.41Å; H184-F187 CarbonylContact O-C 3.35Å; H184-F187 PolarHBondContact O-N 2.88Å; W185-F187 PolarHBondContact O-N 2.98Å; F187-Q449 HydrophobicContact CD1-CG 4.35Å; F187-A452 HydrophobicContact CE1-CB 4.24Å; F187-R453 HydrophobicContact CD1-CB 3.85Å; F187-R453 HydrophobicContact CD1-CG 4.1Å; F187-R453 HydrophobicContact CD2-CB 4.19Å; F187-R453 HydrophobicContact CD2-CG 3.68Å; F187-R453 HydrophobicContact CE1-CB 3.67Å; F187-R453 HydrophobicContact CE1-CG 4.24Å; F187-R453 HydrophobicContact CE2-CB 4.02Å; F187-R453 HydrophobicContact CE2-CG 3.84Å; F187-R453 HydrophobicContact CG-CB 4.12Å; F187-R453 HydrophobicContact CG-CG 3.83Å; F187-R453 HydrophobicContact CZ-CB 3.78Å; F187-R453 HydrophobicContact CZ-CG 4.15Å; F187-E456 HydrophobicContact CE2-CB 3.73Å; F187-E456 HydrophobicContact CE2-CG 3.76Å; F187-E456 HydrophobicContact CZ-CB 3.8Å; F187-E456 HydrophobicContact CZ-CG 4.15Å; F187-I457 HydrophobicContact CD2-CD1 4.19Å; F187-I457 HydrophobicContact CE2-CD1 4.42Å; F187-I457 HydrophobicContact CE2-CG1 4.31Å
188	G	87.3	Confident	83.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	23%	0.232	C	C	.	.			trans	-65.4	-40.7	179.7	0	0	0	0	0	112	E159 H184 W185 R190	E159-G188 WeakPolarHBondContact CB-O 3.47Å; E159-G188 VanDerWaalsContact CG-O 3.29Å; E159-G188 WeakPolarHBondContact CG-O 3.19Å; H184-G188 PolarHBondContact O-N 3.16Å; H184-G188 VanDerWaalsContact O-N 3.08Å; W185-G188 PolarHBondContact O-N 3.47Å; G188-R190 PolarHBondContact O-N 3.5Å
189	D	89.8	Confident	84.1	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.016	22%	0.222	C	C	.	.	S	Bend	trans	-78.4	91.2	165.7	-169.7	-11.1	0	0	0	110.2	A155 E156 R191 N192	A155-D189 HydrophobicContact CB-CB 4Å; E156-D189 HydrophobicContact CG-CB 4.08Å; E156-D189 VanDerWaalsContact CG-N 3.32Å; D189-R191 PolarHBondContact O-N 2.99Å; D189-R191 WeakPolarHBondContact OD1-CB 3.24Å; D189-R191 WeakPolarHBondContact OD1-CG 3.21Å; D189-R191 IonicContact OD1-CZ 3.37Å; D189-R191 PolarHBondContact OD1-N 3.04Å; D189-R191 IonicContact OD1-NE 3.18Å; D189-R191 PolarHBondContact OD1-NE 2.88Å; D189-R191 IonicContact OD1-NH2 3.13Å; D189-R191 IonicContact OD2-CZ 2.83Å; D189-R191 IonicContact OD2-NE 3.93Å; D189-R191 PolarHBondContact OD2-NE 3.03Å; D189-R191 IonicContact OD2-NH2 2.77Å; D189-R191 PolarHBondContact OD2-NH2 2.91Å; D189-N192 WeakPolarHBondContact O-CB 3.45Å; D189-N192 PolarHBondContact O-N 3.36Å
190	R	89.3	Confident	84.2	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-6	177.8	-75.1	-166.8	-64.9	130.7	-2.5	114.4	E159 G188 V194 T199 Y200 E382 Y385 Q449	E159-R190 HydrophobicContact CG-CG 4.4Å; E159-R190 WeakPolarHBondContact OE1-CD 3.41Å; E159-R190 IonicContact OE1-CZ 2.95Å; E159-R190 IonicContact OE1-NE 2.81Å; E159-R190 PolarHBondContact OE1-NE 2.87Å; E159-R190 IonicContact OE1-NH2 3.87Å; E159-R190 IonicContact OE2-CZ 3.13Å; E159-R190 IonicContact OE2-NE 3.75Å; E159-R190 PolarHBondContact OE2-NE 3.3Å; E159-R190 IonicContact OE2-NH2 2.53Å; E159-R190 PolarHBondContact OE2-NH2 3.22Å; G188-R190 PolarHBondContact O-N 3.5Å; R190-V194 WeakPolarHBondContact O-CG2 3.43Å; R190-T199 HydrophobicContact CB-CG2 3.65Å; R190-Y200 PolarHBondContact NH2-O 2.99Å; R190-E382 IonicContact NH1-OE2 2.76Å; R190-Y385 WeakPolarHBondContact CD-OH 3.41Å; R190-Y385 WeakPolarHBondContact CG-OH 3.14Å; R190-Q449 PolarHBondContact O-NE2 3.35Å
191	R	85.9	Confident	84.3	Confident	50 Å²	50	35.6 Å²	35.6	19%	0.189	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-20.4	173.3	-55.3	169.1	-66.9	179.1	7.8	112.2	L150 S151 D189 G193 V194 T199 F201	L150-R191 PolarHBondContact O-NH1 2.85Å; L150-R191 PolarHBondContact O-NH2 3.09Å; S151-R191 PolarHBondContact O-NH2 3.11Å; D189-R191 PolarHBondContact O-N 2.99Å; D189-R191 WeakPolarHBondContact OD1-CB 3.24Å; D189-R191 WeakPolarHBondContact OD1-CG 3.21Å; D189-R191 IonicContact OD1-CZ 3.37Å; D189-R191 PolarHBondContact OD1-N 3.04Å; D189-R191 IonicContact OD1-NE 3.18Å; D189-R191 PolarHBondContact OD1-NE 2.88Å; D189-R191 IonicContact OD1-NH2 3.13Å; D189-R191 IonicContact OD2-CZ 2.83Å; D189-R191 IonicContact OD2-NE 3.93Å; D189-R191 PolarHBondContact OD2-NE 3.03Å; D189-R191 IonicContact OD2-NH2 2.77Å; D189-R191 PolarHBondContact OD2-NH2 2.91Å; R191-G193 PolarHBondContact O-N 3.28Å; R191-V194 WeakPolarHBondContact O-CB 3.36Å; R191-V194 PolarHBondContact O-N 2.82Å; R191-T199 HydrophobicContact CG-CG2 4.35Å; R191-F201 HydrophobicContact CG-CE2 4.1Å; R191-F201 HydrophobicContact CG-CZ 4.15Å
192	N	83.7	Confident	84.4	Confident	81 Å²	81	36.4 Å²	36.4	43%	0.433	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	125	-176.3	-74.9	-16.8	0	0	0	111.8	D189 V194 Q449	D189-N192 WeakPolarHBondContact O-CB 3.45Å; D189-N192 PolarHBondContact O-N 3.36Å; N192-V194 PolarHBondContact O-N 3Å; N192-Q449 PolarHBondContact O-NE2 2.75Å
193	G	76.3	Confident	84.6	Confident	50 Å²	50	36.3 Å²	36.3	52%	0.515	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	7.5	-176.6	0	0	0	0	0	114.6	R191	R191-G193 PolarHBondContact O-N 3.28Å
194	V	79.7	Confident	84.9	Confident	7 Å²	7	38.9 Å²	38.9	4%	0.042	22%	0.215	C	C	.	.			trans	-108.5	108.8	180	-178.2	0	0	0	0	109.5	R190 R191 N192 A197 Y446 Q449	R190-V194 WeakPolarHBondContact O-CG2 3.43Å; R191-V194 WeakPolarHBondContact O-CB 3.36Å; R191-V194 PolarHBondContact O-N 2.82Å; N192-V194 PolarHBondContact O-N 3Å; V194-A197 HydrophobicContact CG1-CB 3.89Å; V194-Y446 HydrophobicContact CB-CD1 4.4Å; V194-Y446 HydrophobicContact CG1-CD1 3.75Å; V194-Y446 HydrophobicContact CG1-CE1 3.74Å; V194-Y446 HydrophobicContact CG2-CD1 3.68Å; V194-Y446 HydrophobicContact CG2-CE1 4.28Å; V194-Q449 HydrophobicContact CG2-CB 4.13Å; V194-Q449 HydrophobicContact CG2-CG 4.48Å
195	I	66.6	Low	85.1	Confident	66 Å²	66	36.5 Å²	36.5	34%	0.338	20%	0.204	S	C	.	.	S	Bend	trans	-97.3	-28.1	-170	-49.1	177.1	0	0	0	111.6	R563 L566 E567	I195-R563 VanDerWaalsContact O-CB 3.23Å; I195-R563 WeakPolarHBondContact O-CB 3.49Å; I195-R563 WeakPolarHBondContact O-CG 3.36Å; I195-L566 HydrophobicContact CG2-CB 3.69Å; I195-E567 HydrophobicContact CG2-CB 3.84Å; I195-E567 VanDerWaalsContact CG2-N 3.29Å
196	S	65.3	Low	85.4	Confident	36 Å²	36	32.7 Å²	32.7	25%	0.252	20%	0.204	S	C	.	.	S	Bend	trans	-116.1	-10.8	-167	59.8	0	0	0	0	115.9	A445 R564 E567	S196-A445 WeakPolarHBondContact OG-CB 3.41Å; S196-R564 VanDerWaalsContact C-NH2 3.34Å; S196-R564 PolarHBondContact O-NH2 3.47Å; S196-E567 WeakPolarHBondContact CB-OE1 3.39Å
197	A	77.6	Confident	85.6	Confident	12 Å²	12	33.5 Å²	33.5	10%	0.099	20%	0.197	C	C	.	.			trans	-109.7	150	-179.4	0	0	0	0	0	112.6	V194 A445 Y446 R563	V194-A197 HydrophobicContact CG1-CB 3.89Å; A197-A445 HydrophobicContact CB-CB 3.71Å; A197-Y446 HydrophobicContact CB-CE1 3.75Å; A197-Y446 HydrophobicContact CB-CE2 4.24Å; A197-Y446 VanDerWaalsContact CB-CZ 3.48Å; A197-Y446 VanDerWaalsContact CB-OH 3.25Å; A197-Y446 WeakPolarHBondContact CB-OH 3.25Å; A197-R563 PolarHBondContact O-NH2 3.46Å
198	R	83.4	Confident	85.8	Confident	23 Å²	23	32.2 Å²	32.2	9%	0.087	19%	0.192	C	C	.	.			trans	-83.2	146.1	167.7	173.7	176.4	176	175.7	7.4	110.2	Y144 V146 E147 Y200 K234	Y144-R198 PolarHBondContact O-NH1 3.09Å; V146-R198 PolarHBondContact O-NH1 3.43Å; V146-R198 PolarHBondContact O-NH2 3.39Å; E147-R198 HydrophobicContact CG-CG 4.22Å; R198-Y200 HydrophobicContact CG-CD2 4.36Å; R198-Y200 HydrophobicContact CG-CE2 4.05Å; R198-Y200 PolarHBondContact NE-OH 3.44Å; R198-Y200 PolarHBondContact NH1-OH 3.24Å; R198-Y200 PolarHBondContact NH2-OH 3.07Å; R198-K234 VanDerWaalsContact O-CE 3.29Å; R198-K234 WeakPolarHBondContact O-CE 3.29Å
199	T	86.1	Confident	86.2	Confident	9 Å²	9	35.2 Å²	35.2	6%	0.055	21%	0.208	C	C	.	.			trans	-120.6	136	176.3	-59.9	0	0	0	0	109.5	R190 R191 F201	R190-T199 HydrophobicContact CB-CG2 3.65Å; R191-T199 HydrophobicContact CG-CG2 4.35Å; T199-F201 HydrophobicContact CG2-CD2 4.4Å; T199-F201 HydrophobicContact CG2-CE1 4.29Å; T199-F201 HydrophobicContact CG2-CE2 3.85Å; T199-F201 HydrophobicContact CG2-CZ 3.78Å
200	Y	89.3	Confident	86.4	Confident	13 Å²	13	37.3 Å²	37.3	5%	0.051	22%	0.223	C	C	.	.			trans	-109.2	129.1	172.6	-70.2	-96.3	0	0	0	109.5	R190 R198 H211 F215 K234 A237	R190-Y200 PolarHBondContact NH2-O 2.99Å; R198-Y200 HydrophobicContact CG-CD2 4.36Å; R198-Y200 HydrophobicContact CG-CE2 4.05Å; R198-Y200 PolarHBondContact NE-OH 3.44Å; R198-Y200 PolarHBondContact NH1-OH 3.24Å; R198-Y200 PolarHBondContact NH2-OH 3.07Å; Y200-H211 AromaticContact CD1-CE1 3.55Å; Y200-H211 AromaticContact CD1-ND1 3.79Å; Y200-H211 AromaticContact CD1-NE2 3.88Å; Y200-F215 WeakPolarHBondContact OH-CZ 3.27Å; Y200-K234 HydrophobicContact CD2-CB 4.1Å; Y200-K234 HydrophobicContact CD2-CD 4.05Å; Y200-K234 HydrophobicContact CE2-CB 3.98Å; Y200-K234 HydrophobicContact CE2-CD 3.94Å; Y200-K234 HydrophobicContact CE2-CG 4.35Å; Y200-A237 HydrophobicContact CD1-CB 3.56Å; Y200-A237 HydrophobicContact CD2-CB 3.74Å; Y200-A237 HydrophobicContact CE1-CB 3.57Å; Y200-A237 HydrophobicContact CE2-CB 3.8Å; Y200-A237 HydrophobicContact CG-CB 3.6Å
201	F	90.5	Very high	86.7	Confident	3 Å²	3	38.1 Å²	38.1	1%	0.013	23%	0.226	C	C	.	.			trans	-98	130.8	172.3	-63.9	-85	0	0	0	109	L150 A155 K158 E159 R191 T199 A203	L150-F201 HydrophobicContact CD1-CB 3.95Å; L150-F201 HydrophobicContact CD1-CD2 3.55Å; L150-F201 HydrophobicContact CD1-CE2 4.22Å; L150-F201 HydrophobicContact CD1-CG 3.8Å; A155-F201 HydrophobicContact CB-CD1 4.36Å; A155-F201 HydrophobicContact CB-CE1 3.72Å; A155-F201 HydrophobicContact CB-CE2 4.08Å; A155-F201 HydrophobicContact CB-CZ 3.56Å; K158-F201 HydrophobicContact CB-CB 4.49Å; K158-F201 HydrophobicContact CD-CB 4.25Å; E159-F201 HydrophobicContact CB-CD1 4.34Å; E159-F201 HydrophobicContact CB-CE1 4.34Å; R191-F201 HydrophobicContact CG-CE2 4.1Å; R191-F201 HydrophobicContact CG-CZ 4.15Å; T199-F201 HydrophobicContact CG2-CD2 4.4Å; T199-F201 HydrophobicContact CG2-CE1 4.29Å; T199-F201 HydrophobicContact CG2-CE2 3.85Å; T199-F201 HydrophobicContact CG2-CZ 3.78Å; F201-A203 PolarHBondContact O-N 3.21Å
202	Y	91.3	Very high	87.2	Confident	30 Å²	30	37.1 Å²	37.1	12%	0.118	22%	0.224	C	C	.	.			trans	-71.4	131.3	176.6	176.2	-92.1	0	0	0	109.7	E205 R240	Y202-E205 PolarHBondContact OH-OE1 3.13Å; Y202-R240 HydrophobicContact CD1-CB 4.47Å; Y202-R240 HydrophobicContact CD1-CG 4.05Å; Y202-R240 HydrophobicContact CD2-CB 4.01Å; Y202-R240 HydrophobicContact CD2-CG 4.42Å; Y202-R240 HydrophobicContact CE1-CB 4.33Å; Y202-R240 HydrophobicContact CE1-CG 4.06Å; Y202-R240 HydrophobicContact CE2-CB 3.86Å; Y202-R240 HydrophobicContact CE2-CG 4.44Å; Y202-R240 HydrophobicContact CG-CB 4.31Å; Y202-R240 HydrophobicContact CG-CG 4.23Å
203	A	91.1	Very high	87.7	Confident	46 Å²	46	38.5 Å²	38.5	38%	0.38	23%	0.228	S	C	.	.			trans	-114.9	-50.7	174.6	0	0	0	0	0	111.1	F201 K207	F201-A203 PolarHBondContact O-N 3.21Å; A203-K207 HydrophobicContact CB-CB 4.23Å; A203-K207 HydrophobicContact CB-CG 4.28Å
204	N	92.5	Very high	88.5	Confident	82 Å²	82	36.9 Å²	36.9	44%	0.439	21%	0.208	S	C	.	.			trans	-170.9	172.2	176.1	51.3	57.3	0	0	0	109.9	A206 K207 C208	N204-A206 VanDerWaalsContact C-N 3.33Å; N204-A206 PolarHBondContact O-N 2.53Å; N204-A206 PolarHBondContact OD1-N 3.16Å; N204-K207 WeakPolarHBondContact O-CB 3.34Å; N204-K207 PolarHBondContact O-N 3.19Å; N204-K207 VanDerWaalsContact O-N 3.15Å; N204-K207 PolarHBondContact OD1-N 2.85Å; N204-C208 PolarHBondContact O-N 2.86Å
205	E	94	Very high	89.2	Confident	24 Å²	24	36.8 Å²	36.8	11%	0.112	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-36.8	179.1	-67.7	-62.4	129	0	0	113.6	Y202 K207 C208 D209 R358 R362	Y202-E205 PolarHBondContact OH-OE1 3.13Å; E205-K207 VanDerWaalsContact C-N 3.26Å; E205-K207 PolarHBondContact O-N 2.98Å; E205-C208 WeakPolarHBondContact O-CA 3.47Å; E205-C208 WeakPolarHBondContact O-CB 3.3Å; E205-C208 PolarHBondContact O-N 3.4Å; E205-C208 VanDerWaalsContact O-N 3.08Å; E205-D209 PolarHBondContact O-N 3.05Å; E205-R358 WeakPolarHBondContact OE2-CB 3.3Å; E205-R358 WeakPolarHBondContact OE2-CD 3.24Å; E205-R362 PolarHBondContact O-NH2 3.23Å; E205-R362 IonicContact OE2-CZ 2.96Å; E205-R362 IonicContact OE2-NH1 3.92Å; E205-R362 PolarHBondContact OE2-NH1 3.5Å; E205-R362 IonicContact OE2-NH2 2.65Å; E205-R362 PolarHBondContact OE2-NH2 3.32Å
206	A	94.8	Very high	90.6	Very high	67 Å²	67	35.4 Å²	35.4	55%	0.554	20%	0.2	S	C	*	.	H	α-helix	trans	-63.6	-33.4	177.6	0	0	0	0	0	112.1	N204 D209 S210	N204-A206 VanDerWaalsContact C-N 3.33Å; N204-A206 PolarHBondContact O-N 2.53Å; N204-A206 PolarHBondContact OD1-N 3.16Å; A206-D209 PolarHBondContact O-N 3.23Å; A206-S210 PolarHBondContact O-N 3.38Å
207	K	93.3	Very high	91.9	Very high	71 Å²	71	38.7 Å²	38.7	31%	0.309	21%	0.207	S	C	.	.	H	α-helix	trans	-68.3	-39.8	173	-173	59.7	166.9	-177.5	0	111.7	E148 A203 N204 E205 D209 S210 H211	E148-K207 WeakPolarHBondContact OE1-CE 3.33Å; E148-K207 IonicContact OE1-NZ 2.88Å; E148-K207 PolarHBondContact OE1-NZ 3.01Å; A203-K207 HydrophobicContact CB-CB 4.23Å; A203-K207 HydrophobicContact CB-CG 4.28Å; N204-K207 WeakPolarHBondContact O-CB 3.34Å; N204-K207 PolarHBondContact O-N 3.19Å; N204-K207 VanDerWaalsContact O-N 3.15Å; N204-K207 PolarHBondContact OD1-N 2.85Å; E205-K207 VanDerWaalsContact C-N 3.26Å; E205-K207 PolarHBondContact O-N 2.98Å; K207-D209 VanDerWaalsContact C-N 3.32Å; K207-D209 PolarHBondContact O-N 2.55Å; K207-S210 WeakPolarHBondContact O-CB 3.39Å; K207-S210 PolarHBondContact O-N 3.19Å; K207-H211 WeakPolarHBondContact CE-NE2 3.24Å; K207-H211 PolarHBondContact O-N 2.88Å; K207-H211 PolarHBondContact O-ND1 3.17Å
208	C	94.9	Very high	92.6	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.02	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-37.9	172.5	-66	0	0	0	0	112.1	N204 E205 H211 M212 R362	N204-C208 PolarHBondContact O-N 2.86Å; E205-C208 WeakPolarHBondContact O-CA 3.47Å; E205-C208 WeakPolarHBondContact O-CB 3.3Å; E205-C208 PolarHBondContact O-N 3.4Å; E205-C208 VanDerWaalsContact O-N 3.08Å; C208-H211 PolarHBondContact O-N 3.41Å; C208-M212 PolarHBondContact O-N 3.16Å; C208-R362 VanDerWaalsContact CB-CZ 3.47Å
209	D	96.1	Very high	93.1	Very high	64 Å²	64	37.1 Å²	37.1	34%	0.342	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-42.8	173.6	-64.6	-27	0	0	0	111.4	E205 A206 K207 H211 M212 E213 R362	E205-D209 PolarHBondContact O-N 3.05Å; A206-D209 PolarHBondContact O-N 3.23Å; K207-D209 VanDerWaalsContact C-N 3.32Å; K207-D209 PolarHBondContact O-N 2.55Å; D209-H211 VanDerWaalsContact C-N 3.32Å; D209-H211 PolarHBondContact O-N 3.27Å; D209-M212 WeakPolarHBondContact O-CB 3.29Å; D209-M212 PolarHBondContact O-N 3Å; D209-M212 VanDerWaalsContact O-N 3.13Å; D209-E213 WeakPolarHBondContact O-CG 3.46Å; D209-E213 PolarHBondContact O-N 3.42Å; D209-R362 IonicContact OD1-CZ 2.73Å; D209-R362 IonicContact OD1-NE 3.38Å; D209-R362 PolarHBondContact OD1-NE 2.96Å; D209-R362 IonicContact OD1-NH2 2.65Å; D209-R362 PolarHBondContact OD1-NH2 3.11Å; D209-R362 IonicContact OD2-NH2 2.68Å
210	S	94.2	Very high	93.5	Very high	47 Å²	47	39.3 Å²	39.3	33%	0.329	21%	0.208	S	C	.	.	H	α-helix	trans	-61.9	-37.3	174.5	-174.2	0	0	0	0	113	A206 K207 T214	A206-S210 PolarHBondContact O-N 3.38Å; K207-S210 WeakPolarHBondContact O-CB 3.39Å; K207-S210 PolarHBondContact O-N 3.19Å; S210-T214 WeakPolarHBondContact O-CB 3.35Å; S210-T214 PolarHBondContact O-N 3.36Å; S210-T214 VanDerWaalsContact O-N 3.09Å; S210-T214 PolarHBondContact O-OG1 3.22Å
211	H	94	Very high	93.5	Very high	16 Å²	16	38.7 Å²	38.7	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-65.2	-43.9	171.7	-64	155.1	0	0	0	111.5	Y200 K207 C208 D209 E213 T214 F215 A237	Y200-H211 AromaticContact CD1-CE1 3.55Å; Y200-H211 AromaticContact CD1-ND1 3.79Å; Y200-H211 AromaticContact CD1-NE2 3.88Å; K207-H211 WeakPolarHBondContact CE-NE2 3.24Å; K207-H211 PolarHBondContact O-N 2.88Å; K207-H211 PolarHBondContact O-ND1 3.17Å; C208-H211 PolarHBondContact O-N 3.41Å; D209-H211 VanDerWaalsContact C-N 3.32Å; D209-H211 PolarHBondContact O-N 3.27Å; H211-E213 PolarHBondContact O-N 3.34Å; H211-T214 WeakPolarHBondContact O-CB 3.48Å; H211-T214 PolarHBondContact O-N 2.91Å; H211-T214 VanDerWaalsContact O-N 3.15Å; H211-F215 HydrophobicContact CB-CE2 4.3Å; H211-F215 WeakPolarHBondContact O-CD2 3.45Å; H211-F215 WeakPolarHBondContact O-CG 3.32Å; H211-F215 PolarHBondContact O-N 2.88Å; H211-A237 HydrophobicContact CB-CB 4.29Å; H211-A237 PolarHBondContact ND1-O 3.04Å
212	M	95.9	Very high	93.5	Very high	30 Å²	30	38.8 Å²	38.8	15%	0.148	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-47	175	-177.9	-172.3	61.9	0	0	111.7	C208 D209 T214 F215 L216 L238 R362 V365 L366	C208-M212 PolarHBondContact O-N 3.16Å; D209-M212 WeakPolarHBondContact O-CB 3.29Å; D209-M212 PolarHBondContact O-N 3Å; D209-M212 VanDerWaalsContact O-N 3.13Å; M212-T214 PolarHBondContact O-N 2.93Å; M212-F215 PolarHBondContact O-N 3.41Å; M212-F215 VanDerWaalsContact O-N 3.08Å; M212-L216 HydrophobicContact CG-CD1 4.35Å; M212-L216 WeakPolarHBondContact O-CG 3.43Å; M212-L216 PolarHBondContact O-N 2.83Å; M212-L238 HydrophobicContact CB-CD2 4.29Å; M212-R362 HydrophobicContact CB-CG 4.48Å; M212-R362 HydrophobicContact CG-CB 4.35Å; M212-R362 HydrophobicContact CG-CG 4.48Å; M212-R362 HydrophobicContact SD-CB 3.76Å; M212-R362 HydrophobicContact SD-CG 3.61Å; M212-V365 HydrophobicContact SD-CB 4.05Å; M212-V365 HydrophobicContact SD-CG1 3.86Å; M212-L366 HydrophobicContact CG-CD2 3.98Å; M212-L366 HydrophobicContact CG-CG 4.13Å
213	E	95.3	Very high	93.5	Very high	109 Å²	109	38 Å²	38	51%	0.509	21%	0.208	S	C	.	.	H	α-helix	trans	-58.3	-35.6	175.7	-73.7	177.7	178.8	0	0	112.5	D209 H211 R217	D209-E213 WeakPolarHBondContact O-CG 3.46Å; D209-E213 PolarHBondContact O-N 3.42Å; H211-E213 PolarHBondContact O-N 3.34Å; E213-R217 WeakPolarHBondContact O-CB 3.24Å; E213-R217 WeakPolarHBondContact O-CG 3.41Å; E213-R217 PolarHBondContact O-N 2.84Å; E213-R217 PolarHBondContact O-NE 2.7Å
214	T	92.6	Very high	93.3	Very high	17 Å²	17	43.1 Å²	43.1	10%	0.104	22%	0.217	C	C	.	.	H	α-helix	trans	-67.5	-43.6	174.6	-60.4	0	0	0	0	111.4	Y144 S210 H211 M212 R217 C218	Y144-T214 HydrophobicContact CD1-CG2 3.22Å; Y144-T214 HydrophobicContact CD2-CG2 4.38Å; Y144-T214 HydrophobicContact CE1-CG2 3.92Å; Y144-T214 HydrophobicContact CG-CG2 3.46Å; Y144-T214 VanDerWaalsContact CG-CG2 3.46Å; S210-T214 WeakPolarHBondContact O-CB 3.35Å; S210-T214 PolarHBondContact O-N 3.36Å; S210-T214 VanDerWaalsContact O-N 3.09Å; S210-T214 PolarHBondContact O-OG1 3.22Å; H211-T214 WeakPolarHBondContact O-CB 3.48Å; H211-T214 PolarHBondContact O-N 2.91Å; H211-T214 VanDerWaalsContact O-N 3.15Å; M212-T214 PolarHBondContact O-N 2.93Å; T214-R217 WeakPolarHBondContact O-CB 3.45Å; T214-R217 PolarHBondContact O-N 3.21Å; T214-R217 PolarHBondContact OG1-NH2 3.38Å; T214-R217 VanDerWaalsContact OG1-NH2 3.16Å; T214-C218 PolarHBondContact O-N 3.19Å; T214-C218 PolarHBondContact O-SG 3.01Å; T214-C218 VanDerWaalsContact O-SG 3.33Å
215	F	95.1	Very high	92.8	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-65.3	-40.1	174.6	-64.4	-51.5	0	0	0	112.5	Y200 H211 M212 R217 C218 I219 I233 A237 L238 L366	Y200-F215 WeakPolarHBondContact OH-CZ 3.27Å; H211-F215 HydrophobicContact CB-CE2 4.3Å; H211-F215 WeakPolarHBondContact O-CD2 3.45Å; H211-F215 WeakPolarHBondContact O-CG 3.32Å; H211-F215 PolarHBondContact O-N 2.88Å; M212-F215 PolarHBondContact O-N 3.41Å; M212-F215 VanDerWaalsContact O-N 3.08Å; F215-R217 VanDerWaalsContact C-N 3.27Å; F215-R217 PolarHBondContact O-N 2.95Å; F215-C218 WeakPolarHBondContact O-CA 3.23Å; F215-C218 WeakPolarHBondContact O-CB 2.96Å; F215-C218 PolarHBondContact O-N 2.96Å; F215-C218 VanDerWaalsContact O-N 3.08Å; F215-I219 WeakPolarHBondContact O-CG1 3.34Å; F215-I219 PolarHBondContact O-N 3.46Å; F215-I233 HydrophobicContact CB-CG2 4.29Å; F215-I233 HydrophobicContact CD1-CG2 3.78Å; F215-I233 HydrophobicContact CD2-CG2 4.22Å; F215-I233 HydrophobicContact CE1-CB 4.39Å; F215-I233 HydrophobicContact CE1-CG2 4.09Å; F215-I233 HydrophobicContact CE2-CB 4.49Å; F215-I233 HydrophobicContact CE2-CG2 4.5Å; F215-I233 HydrophobicContact CG-CG2 3.85Å; F215-I233 HydrophobicContact CZ-CB 4.36Å; F215-I233 HydrophobicContact CZ-CG2 4.43Å; F215-A237 HydrophobicContact CE2-CB 3.85Å; F215-A237 HydrophobicContact CZ-CB 4Å; F215-L238 HydrophobicContact CD2-CD2 3.88Å; F215-L238 HydrophobicContact CE2-CD2 3.87Å; F215-L238 HydrophobicContact CE2-CG 4.46Å; F215-L366 HydrophobicContact CB-CD1 4.16Å; F215-L366 HydrophobicContact CB-CD2 3.59Å; F215-L366 HydrophobicContact CD2-CD1 4.11Å; F215-L366 HydrophobicContact CG-CD1 4.49Å
216	L	95.8	Very high	92.1	Very high	37 Å²	37	40.1 Å²	40.1	19%	0.194	20%	0.204	C	C	.	.	H	α-helix	trans	-56.9	-44.1	173.6	-72	171.4	0	0	0	111.2	M212 I219 E220 V365 L366 K369	M212-L216 HydrophobicContact CG-CD1 4.35Å; M212-L216 WeakPolarHBondContact O-CG 3.43Å; M212-L216 PolarHBondContact O-N 2.83Å; L216-I219 WeakPolarHBondContact O-CB 3.23Å; L216-I219 PolarHBondContact O-N 2.93Å; L216-E220 WeakPolarHBondContact O-CG 3.43Å; L216-E220 PolarHBondContact O-N 2.98Å; L216-V365 HydrophobicContact CD1-CG1 4.37Å; L216-V365 HydrophobicContact CD2-CG1 4.23Å; L216-L366 HydrophobicContact CD2-CD2 3.84Å; L216-L366 HydrophobicContact CG-CD2 3.83Å; L216-K369 HydrophobicContact CD2-CB 3.57Å; L216-K369 HydrophobicContact CD2-CG 3.63Å
217	R	92.6	Very high	91.3	Very high	106 Å²	106	42.9 Å²	42.9	40%	0.4	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-40.8	173.6	-86.2	-173.2	-61.4	175.8	2.5	113	E213 T214 F215 E220 A221	E213-R217 WeakPolarHBondContact O-CB 3.24Å; E213-R217 WeakPolarHBondContact O-CG 3.41Å; E213-R217 PolarHBondContact O-N 2.84Å; E213-R217 PolarHBondContact O-NE 2.7Å; T214-R217 WeakPolarHBondContact O-CB 3.45Å; T214-R217 PolarHBondContact O-N 3.21Å; T214-R217 PolarHBondContact OG1-NH2 3.38Å; T214-R217 VanDerWaalsContact OG1-NH2 3.16Å; F215-R217 VanDerWaalsContact C-N 3.27Å; F215-R217 PolarHBondContact O-N 2.95Å; R217-E220 PolarHBondContact O-N 3.3Å; R217-A221 WeakPolarHBondContact O-CB 3.36Å; R217-A221 PolarHBondContact O-N 3.37Å
218	C	92.3	Very high	90.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-62.1	-42.6	172	-66.2	0	0	0	0	112.1	T214 F215 E220 A221 S222 I231 Y551	T214-C218 PolarHBondContact O-N 3.19Å; T214-C218 PolarHBondContact O-SG 3.01Å; T214-C218 VanDerWaalsContact O-SG 3.33Å; F215-C218 WeakPolarHBondContact O-CA 3.23Å; F215-C218 WeakPolarHBondContact O-CB 2.96Å; F215-C218 PolarHBondContact O-N 2.96Å; F215-C218 VanDerWaalsContact O-N 3.08Å; C218-E220 VanDerWaalsContact C-N 3.34Å; C218-E220 PolarHBondContact O-N 3.41Å; C218-A221 PolarHBondContact O-N 2.89Å; C218-S222 WeakPolarHBondContact O-CB 3.23Å; C218-S222 PolarHBondContact O-N 3.42Å; C218-I231 HydrophobicContact CB-CG2 4.07Å; C218-Y551 PolarHBondContact SG-OH 3.32Å
219	I	94.4	Very high	90.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.4	-47.9	177.7	-65.9	167.8	0	0	0	109.6	F215 L216 A221 S222 G223 I231 L366 K369 A370 M373 V375 L377	F215-I219 WeakPolarHBondContact O-CG1 3.34Å; F215-I219 PolarHBondContact O-N 3.46Å; L216-I219 WeakPolarHBondContact O-CB 3.23Å; L216-I219 PolarHBondContact O-N 2.93Å; I219-A221 PolarHBondContact O-N 2.87Å; I219-S222 PolarHBondContact O-N 3.37Å; I219-G223 PolarHBondContact O-N 2.94Å; I219-I231 HydrophobicContact CD1-CD1 3.94Å; I219-I231 HydrophobicContact CG1-CD1 3.33Å; I219-I231 HydrophobicContact CG1-CG1 3.88Å; I219-L366 HydrophobicContact CD1-CB 4.45Å; I219-L366 HydrophobicContact CD1-CD2 4.06Å; I219-K369 HydrophobicContact CB-CG 4.41Å; I219-K369 HydrophobicContact CD1-CB 4.25Å; I219-K369 HydrophobicContact CD1-CG 4.3Å; I219-K369 HydrophobicContact CG2-CG 3.95Å; I219-A370 HydrophobicContact CD1-CB 4.26Å; I219-M373 HydrophobicContact CG2-CB 3.83Å; I219-M373 HydrophobicContact CG2-CG 3.89Å; I219-V375 HydrophobicContact CG2-CB 4.15Å; I219-V375 HydrophobicContact CG2-CG2 4.32Å; I219-L377 HydrophobicContact CD1-CD2 4.02Å; I219-L377 HydrophobicContact CG1-CD2 4.18Å
220	E	92.7	Very high	90.6	Very high	55 Å²	55	38.4 Å²	38.4	26%	0.257	19%	0.189	S	C	.	.	H	α-helix	trans	-62.4	-44.1	178.7	-70.1	-177.8	171.8	0	0	112.4	L216 R217 C218 S222 G223 R224 K369	L216-E220 WeakPolarHBondContact O-CG 3.43Å; L216-E220 PolarHBondContact O-N 2.98Å; R217-E220 PolarHBondContact O-N 3.3Å; C218-E220 VanDerWaalsContact C-N 3.34Å; C218-E220 PolarHBondContact O-N 3.41Å; E220-S222 VanDerWaalsContact C-N 3.32Å; E220-S222 PolarHBondContact O-N 3.01Å; E220-G223 PolarHBondContact O-N 3.22Å; E220-R224 VanDerWaalsContact O-CG 3.28Å; E220-R224 WeakPolarHBondContact O-CG 3.13Å; E220-R224 PolarHBondContact O-N 2.87Å; E220-R224 VanDerWaalsContact O-N 3.09Å; E220-K369 WeakPolarHBondContact OE1-CE 3.46Å; E220-K369 IonicContact OE1-NZ 3.66Å; E220-K369 PolarHBondContact OE1-NZ 2.89Å
221	A	90.3	Very high	90.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.6	-37.4	178	0	0	0	0	0	112.7	Q123 L142 R217 C218 I219	Q123-A221 HydrophobicContact CB-CB 3.92Å; Q123-A221 HydrophobicContact CG-CB 3.8Å; L142-A221 HydrophobicContact CD1-CB 3.93Å; R217-A221 WeakPolarHBondContact O-CB 3.36Å; R217-A221 PolarHBondContact O-N 3.37Å; C218-A221 PolarHBondContact O-N 2.89Å; I219-A221 PolarHBondContact O-N 2.87Å
222	S	91.2	Very high	90.6	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-69.3	-47.6	177	-165.3	0	0	0	0	111.3	C218 I219 E220 R224 V225 S226	C218-S222 WeakPolarHBondContact O-CB 3.23Å; C218-S222 PolarHBondContact O-N 3.42Å; I219-S222 PolarHBondContact O-N 3.37Å; E220-S222 VanDerWaalsContact C-N 3.32Å; E220-S222 PolarHBondContact O-N 3.01Å; S222-R224 VanDerWaalsContact C-N 3.29Å; S222-R224 PolarHBondContact O-N 3.43Å; S222-V225 PolarHBondContact O-N 2.98Å; S222-S226 PolarHBondContact O-N 3.33Å; S222-S226 VanDerWaalsContact O-N 3.08Å
223	G	90.3	Very high	90.5	Very high	12 Å²	12	34.3 Å²	34.3	12%	0.124	17%	0.165	C	C	.	.	H	α-helix	trans	-64.6	-28.2	-180	0	0	0	0	0	113.9	I219 E220 V225	I219-G223 PolarHBondContact O-N 2.94Å; E220-G223 PolarHBondContact O-N 3.22Å; G223-V225 PolarHBondContact O-N 3.37Å
224	R	87.7	Confident	90.5	Very high	155 Å²	155	29.7 Å²	29.7	59%	0.585	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.3	173.1	-74.6	172.4	-170.9	177.9	6.7	113.8	E220 S222	E220-R224 VanDerWaalsContact O-CG 3.28Å; E220-R224 WeakPolarHBondContact O-CG 3.13Å; E220-R224 PolarHBondContact O-N 2.87Å; E220-R224 VanDerWaalsContact O-N 3.09Å; S222-R224 VanDerWaalsContact C-N 3.29Å; S222-R224 PolarHBondContact O-N 3.43Å
225	V	81.1	Confident	90.6	Very high	31 Å²	31	28.9 Å²	28.9	19%	0.188	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-37.9	-178.3	178.9	0	0	0	0	111.5	L130 R134 S222 G223	L130-V225 HydrophobicContact CB-CG1 4.02Å; L130-V225 HydrophobicContact CB-CG2 4.14Å; L130-V225 HydrophobicContact CD1-CG2 3.89Å; R134-V225 PolarHBondContact NH1-O 3.34Å; S222-V225 PolarHBondContact O-N 2.98Å; G223-V225 PolarHBondContact O-N 3.37Å
226	S	80	Confident	90.5	Very high	11 Å²	11	28.8 Å²	28.8	8%	0.077	14%	0.138	C	C	.	.			trans	-154.1	137.3	-172	-164.6	0	0	0	0	113.4	R134 S222 D228	R134-S226 PolarHBondContact NH1-OG 3.4Å; S222-S226 PolarHBondContact O-N 3.33Å; S222-S226 VanDerWaalsContact O-N 3.08Å; S226-D228 PolarHBondContact O-N 3.09Å; S226-D228 VanDerWaalsContact O-N 3.16Å; S226-D228 PolarHBondContact OG-N 3.34Å
227	D	77.8	Confident	90.5	Very high	126 Å²	126	27 Å²	27	67%	0.674	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	6.9	168.1	-48.4	-38.5	0	0	0	113	G374	D227-G374 CarbonylContact C-O 3.56Å
228	D	83.5	Confident	90.6	Very high	40 Å²	40	22 Å²	22	21%	0.214	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.3	20	-178	-142.8	52	0	0	0	113.4	S226 R376 Y546	S226-D228 PolarHBondContact O-N 3.09Å; S226-D228 VanDerWaalsContact O-N 3.16Å; S226-D228 PolarHBondContact OG-N 3.34Å; D228-R376 VanDerWaalsContact CG-CZ 3.42Å; D228-R376 PolarHBondContact O-NH1 3.5Å; D228-R376 IonicContact OD1-CZ 3.16Å; D228-R376 IonicContact OD1-NE 3.22Å; D228-R376 IonicContact OD1-NH1 2.9Å; D228-R376 PolarHBondContact OD1-NH1 3.46Å; D228-R376 VanDerWaalsContact OD1-NH1 3.13Å; D228-R376 IonicContact OD1-NH2 2.78Å; D228-R376 PolarHBondContact OD1-NH2 3.47Å; D228-R376 IonicContact OD2-CZ 2.83Å; D228-R376 IonicContact OD2-NH1 3.71Å; D228-R376 PolarHBondContact OD2-NH1 3.03Å; D228-R376 IonicContact OD2-NH2 3.99Å; D228-R376 PolarHBondContact OD2-NH2 2.8Å; D228-R376 VanDerWaalsContact OD2-NH2 3.17Å; D228-Y546 WeakPolarHBondContact O-CE1 3.47Å; D228-Y546 PolarHBondContact O-OH 3.25Å; D228-Y546 PolarHBondContact OD2-OH 3.12Å
229	G	90.8	Very high	90.5	Very high	3 Å²	3	22 Å²	22	3%	0.031	11%	0.11	C	C	.	.			trans	-69.7	161.3	179.3	0	0	0	0	0	113	R376	G229-R376 PolarHBondContact O-N 3Å
230	F	94.8	Very high	90.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	154.8	169.4	-76.7	-97.6	0	0	0	110.1	A140 I141 L142 R376 M378 F409 M494 Y523 Y546	A140-F230 PolarHBondContact O-N 3.28Å; I141-F230 WeakPolarHBondContact CA-O 3.46Å; I141-F230 HydrophobicContact CB-CB 4.12Å; I141-F230 HydrophobicContact CG1-CB 3.58Å; I141-F230 HydrophobicContact CG1-CG 4.25Å; I141-F230 HydrophobicContact CG2-CB 4.1Å; L142-F230 PolarHBondContact N-O 2.79Å; L142-F230 VanDerWaalsContact N-O 3.11Å; F230-R376 CarbonylContact C-O 3.51Å; F230-R376 WeakPolarHBondContact CA-O 3.43Å; F230-R376 HydrophobicContact CD1-CB 3.46Å; F230-R376 VanDerWaalsContact CD1-CB 3.46Å; F230-R376 HydrophobicContact CD1-CG 4.46Å; F230-R376 HydrophobicContact CE1-CB 3.59Å; F230-R376 VanDerWaalsContact CE1-CD 3.46Å; F230-R376 HydrophobicContact CE1-CG 4.2Å; F230-R376 VanDerWaalsContact CE2-NH1 3.34Å; F230-R376 HydrophobicContact CG-CB 4.02Å; F230-R376 HydrophobicContact CZ-CB 4.23Å; F230-R376 HydrophobicContact CZ-CG 4.41Å; F230-M378 HydrophobicContact CB-CE 4.01Å; F230-M378 HydrophobicContact CD1-CE 3.37Å; F230-M378 HydrophobicContact CE1-CE 3.95Å; F230-M378 HydrophobicContact CG-CE 3.82Å; F230-F409 HydrophobicContact CE1-CD1 4.29Å; F230-F409 AromaticContact CE1-CD2 3.78Å; F230-F409 HydrophobicContact CE1-CD2 3.78Å; F230-F409 HydrophobicContact CE1-CE1 4.22Å; F230-F409 AromaticContact CE1-CE2 3.71Å; F230-F409 HydrophobicContact CE1-CE2 3.71Å; F230-F409 HydrophobicContact CE1-CG 4.1Å; F230-F409 AromaticContact CE1-CZ 3.94Å; F230-F409 HydrophobicContact CE1-CZ 3.94Å; F230-F409 HydrophobicContact CZ-CE1 4.36Å; F230-F409 HydrophobicContact CZ-CE2 4.16Å; F230-F409 HydrophobicContact CZ-CZ 4.01Å; F230-M494 HydrophobicContact CD2-CE 4.35Å; F230-M494 HydrophobicContact CE2-CE 3.97Å; F230-M494 HydrophobicContact CZ-CE 4.05Å; F230-Y523 HydrophobicContact CE2-CD1 4.46Å; F230-Y523 HydrophobicContact CZ-CD2 4.17Å; F230-Y523 HydrophobicContact CZ-CE2 4.16Å; F230-Y523 HydrophobicContact CZ-CG 4.44Å; F230-Y546 AromaticContact CD2-CD1 3.65Å; F230-Y546 HydrophobicContact CD2-CD1 3.65Å; F230-Y546 AromaticContact CD2-CE1 3.37Å; F230-Y546 HydrophobicContact CD2-CE1 3.37Å; F230-Y546 HydrophobicContact CD2-CE2 4.31Å; F230-Y546 HydrophobicContact CD2-CG 4.22Å; F230-Y546 AromaticContact CD2-CZ 3.72Å; F230-Y546 HydrophobicContact CE2-CD1 4.24Å; F230-Y546 HydrophobicContact CE2-CD2 4.36Å; F230-Y546 AromaticContact CE2-CE1 3.77Å; F230-Y546 HydrophobicContact CE2-CE1 3.77Å; F230-Y546 AromaticContact CE2-CE2 3.94Å; F230-Y546 HydrophobicContact CE2-CE2 3.94Å; F230-Y546 AromaticContact CE2-CZ 3.59Å
231	I	94.9	Very high	90.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.7	160	66	140.7	0	0	0	109.9	L142 C218 I219 I233 V375 R376 L377 M378	L142-I231 HydrophobicContact CB-CG2 4.3Å; C218-I231 HydrophobicContact CB-CG2 4.07Å; I219-I231 HydrophobicContact CD1-CD1 3.94Å; I219-I231 HydrophobicContact CG1-CD1 3.33Å; I219-I231 HydrophobicContact CG1-CG1 3.88Å; I231-I233 HydrophobicContact CD1-CG2 3.77Å; I231-V375 HydrophobicContact CG1-CG1 4.37Å; I231-V375 HydrophobicContact CG2-CG1 3.95Å; I231-R376 PolarHBondContact N-O 3.05Å; I231-L377 HydrophobicContact CD1-CD2 3.42Å; I231-L377 VanDerWaalsContact CD1-CD2 3.42Å; I231-L377 HydrophobicContact CG1-CD2 3.23Å; I231-M378 VanDerWaalsContact O-CB 3.31Å; I231-M378 WeakPolarHBondContact O-CB 3.29Å; I231-M378 PolarHBondContact O-N 3.37Å
232	A	92.9	Very high	90.3	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.5	174	0	0	0	0	0	110.9	I141 L142 M378 Y548	I141-A232 HydrophobicContact CG2-CB 4.11Å; L142-A232 PolarHBondContact O-N 3.18Å; A232-M378 WeakPolarHBondContact CA-O 3.09Å; A232-Y548 HydrophobicContact CB-CE2 3.62Å
233	I	94.7	Very high	90.1	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.026	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	153.6	175.1	66.1	174.3	0	0	0	110.1	F215 I231 L238 L366 L377 M378 V379 D380	F215-I233 HydrophobicContact CB-CG2 4.29Å; F215-I233 HydrophobicContact CD1-CG2 3.78Å; F215-I233 HydrophobicContact CD2-CG2 4.22Å; F215-I233 HydrophobicContact CE1-CB 4.39Å; F215-I233 HydrophobicContact CE1-CG2 4.09Å; F215-I233 HydrophobicContact CE2-CB 4.49Å; F215-I233 HydrophobicContact CE2-CG2 4.5Å; F215-I233 HydrophobicContact CG-CG2 3.85Å; F215-I233 HydrophobicContact CZ-CB 4.36Å; F215-I233 HydrophobicContact CZ-CG2 4.43Å; I231-I233 HydrophobicContact CD1-CG2 3.77Å; I233-L238 HydrophobicContact CD1-CD1 4.46Å; I233-L366 HydrophobicContact CD1-CD1 4.28Å; I233-L366 HydrophobicContact CG2-CD1 4.39Å; I233-L377 HydrophobicContact CD1-CD1 4.5Å; I233-M378 PolarHBondContact N-O 3.28Å; I233-V379 HydrophobicContact CD1-CG2 4.18Å; I233-V379 HydrophobicContact CG1-CG2 4.15Å; I233-D380 PolarHBondContact O-N 3.05Å
234	K	94.6	Very high	90.1	Very high	11 Å²	11	20.8 Å²	20.8	5%	0.048	10%	0.099	C	C	.	.			trans	-121.5	139.4	173.6	-75.2	-175.2	172.7	-71.4	0	109.8	R198 Y200 A237 D380 A381 E382 Y446	R198-K234 VanDerWaalsContact O-CE 3.29Å; R198-K234 WeakPolarHBondContact O-CE 3.29Å; Y200-K234 HydrophobicContact CD2-CB 4.1Å; Y200-K234 HydrophobicContact CD2-CD 4.05Å; Y200-K234 HydrophobicContact CE2-CB 3.98Å; Y200-K234 HydrophobicContact CE2-CD 3.94Å; Y200-K234 HydrophobicContact CE2-CG 4.35Å; K234-A237 VanDerWaalsContact O-CB 3.3Å; K234-A237 WeakPolarHBondContact O-CB 3.41Å; K234-A237 PolarHBondContact O-N 3.28Å; K234-D380 HydrophobicContact CG-CB 3.82Å; K234-A381 PolarHBondContact NZ-O 2.96Å; K234-E382 HydrophobicContact CD-CG 4.49Å; K234-E382 HydrophobicContact CG-CG 4.47Å; K234-Y446 PolarHBondContact NZ-OH 2.94Å
235	L	94.4	Very high	90.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-74.4	-31.3	-176.5	-93.8	61.3	0	0	0	111.5	A237 L238 G239 L244 M363 V379 E382 I390 L393	L235-A237 PolarHBondContact O-N 3.37Å; L235-A237 VanDerWaalsContact O-N 3.13Å; L235-L238 PolarHBondContact O-N 3.12Å; L235-G239 PolarHBondContact O-N 2.81Å; L235-L244 HydrophobicContact CB-CD1 3.98Å; L235-L244 HydrophobicContact CB-CD2 4.5Å; L235-L244 HydrophobicContact CD2-CD2 4.22Å; L235-M363 HydrophobicContact CD1-CE 3.97Å; L235-M363 HydrophobicContact CD1-SD 4.21Å; L235-M363 HydrophobicContact CD2-CE 4.03Å; L235-M363 HydrophobicContact CD2-SD 3.91Å; L235-M363 HydrophobicContact CG-CE 4.17Å; L235-M363 HydrophobicContact CG-SD 3.85Å; L235-V379 HydrophobicContact CD1-CG1 3.33Å; L235-E382 PolarHBondContact N-OE1 3.2Å; L235-E382 VanDerWaalsContact N-OE1 3.08Å; L235-I390 HydrophobicContact CB-CD1 4.46Å; L235-I390 HydrophobicContact CB-CG1 4.07Å; L235-I390 HydrophobicContact CD2-CB 4.17Å; L235-I390 HydrophobicContact CD2-CG1 3.93Å; L235-I390 HydrophobicContact CD2-CG2 4.17Å; L235-L393 HydrophobicContact CD2-CB 4.13Å; L235-L393 HydrophobicContact CD2-CD1 3.9Å
236	T	94.5	Very high	90.2	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.012	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-62.8	-16.5	172.4	59.8	0	0	0	0	113.4	P241 L244 E382 F386	T236-P241 HydrophobicContact CG2-CB 4.42Å; T236-L244 HydrophobicContact CG2-CD1 4Å; T236-E382 WeakPolarHBondContact CB-OE2 3.46Å; T236-E382 WeakPolarHBondContact CG2-OE2 3.49Å; T236-E382 PolarHBondContact N-OE1 3.12Å; T236-E382 VanDerWaalsContact N-OE1 3.13Å; T236-E382 VanDerWaalsContact OG1-CD 3.32Å; T236-E382 PolarHBondContact OG1-OE1 3.1Å; T236-E382 PolarHBondContact OG1-OE2 3.38Å; T236-F386 HydrophobicContact CG2-CD2 4.1Å; T236-F386 HydrophobicContact CG2-CE2 4.13Å
237	A	94.6	Very high	90.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.008	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-79.1	-23.4	172.1	0	0	0	0	0	113.1	Y200 H211 F215 K234 L235	Y200-A237 HydrophobicContact CD1-CB 3.56Å; Y200-A237 HydrophobicContact CD2-CB 3.74Å; Y200-A237 HydrophobicContact CE1-CB 3.57Å; Y200-A237 HydrophobicContact CE2-CB 3.8Å; Y200-A237 HydrophobicContact CG-CB 3.6Å; H211-A237 HydrophobicContact CB-CB 4.29Å; H211-A237 PolarHBondContact ND1-O 3.04Å; F215-A237 HydrophobicContact CE2-CB 3.85Å; F215-A237 HydrophobicContact CZ-CB 4Å; K234-A237 VanDerWaalsContact O-CB 3.3Å; K234-A237 WeakPolarHBondContact O-CB 3.41Å; K234-A237 PolarHBondContact O-N 3.28Å; L235-A237 PolarHBondContact O-N 3.37Å; L235-A237 VanDerWaalsContact O-N 3.13Å
238	L	94.7	Very high	91	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-4	-168.3	-61.1	-179.7	0	0	0	113.8	M212 F215 I233 L235 M359 R362 M363 L366	M212-L238 HydrophobicContact CB-CD2 4.29Å; F215-L238 HydrophobicContact CD2-CD2 3.88Å; F215-L238 HydrophobicContact CE2-CD2 3.87Å; F215-L238 HydrophobicContact CE2-CG 4.46Å; I233-L238 HydrophobicContact CD1-CD1 4.46Å; L235-L238 PolarHBondContact O-N 3.12Å; L238-M359 HydrophobicContact CB-CG 4.25Å; L238-M359 WeakPolarHBondContact O-CA 3.42Å; L238-R362 HydrophobicContact CB-CB 4.41Å; L238-R362 HydrophobicContact CD2-CB 4.28Å; L238-R362 WeakPolarHBondContact O-CD 3.42Å; L238-R362 PolarHBondContact O-NH1 2.74Å; L238-M363 HydrophobicContact CD1-CG 3.78Å; L238-L366 HydrophobicContact CD1-CD1 3.84Å; L238-L366 HydrophobicContact CD2-CD1 3.95Å
239	G	91.6	Very high	91.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.027	C	C	.	.	S	Bend	trans	179.6	-174.1	174.1	0	0	0	0	0	112.5	L235 M359	L235-G239 PolarHBondContact O-N 2.81Å; G239-M359 VanDerWaalsContact CA-CE 3.41Å
240	R	91.6	Very high	90.6	Very high	28 Å²	28	6 Å²	6	11%	0.106	3%	0.028	C	C	.	.			trans	-70.4	126.6	-175.5	-167.8	177.1	177.7	-165.6	-4.4	112	E161 S162 T164 Y202 Q242 F243 M359	E161-R240 PolarHBondContact O-NH2 3.31Å; S162-R240 VanDerWaalsContact O-CG 3.23Å; S162-R240 WeakPolarHBondContact O-CG 3.46Å; S162-R240 PolarHBondContact O-NE 2.75Å; T164-R240 PolarHBondContact O-NH2 2.95Å; Y202-R240 HydrophobicContact CD1-CB 4.47Å; Y202-R240 HydrophobicContact CD1-CG 4.05Å; Y202-R240 HydrophobicContact CD2-CB 4.01Å; Y202-R240 HydrophobicContact CD2-CG 4.42Å; Y202-R240 HydrophobicContact CE1-CB 4.33Å; Y202-R240 HydrophobicContact CE1-CG 4.06Å; Y202-R240 HydrophobicContact CE2-CB 3.86Å; Y202-R240 HydrophobicContact CE2-CG 4.44Å; Y202-R240 HydrophobicContact CG-CB 4.31Å; Y202-R240 HydrophobicContact CG-CG 4.23Å; R240-Q242 VanDerWaalsContact C-N 3.32Å; R240-Q242 HydrophobicContact CG-CB 4.26Å; R240-Q242 VanDerWaalsContact NH1-OE1 3.07Å; R240-Q242 PolarHBondContact O-N 2.86Å; R240-F243 PolarHBondContact O-N 2.76Å; R240-M359 WeakPolarHBondContact O-CE 3.4Å
241	P	92.3	Very high	90.1	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-68.7	-23	-174.6	25.9	-35.6	0	0	0	114.5	S162 C163 T236 F243 L244 L245 F386	S162-P241 WeakPolarHBondContact OG-CG 3.44Å; C163-P241 VanDerWaalsContact SG-CG 3.51Å; T236-P241 HydrophobicContact CG2-CB 4.42Å; P241-F243 PolarHBondContact O-N 3.15Å; P241-L244 WeakPolarHBondContact O-CB 3.35Å; P241-L244 PolarHBondContact O-N 3.16Å; P241-L245 PolarHBondContact O-N 3.32Å; P241-F386 HydrophobicContact CB-CE1 3.87Å; P241-F386 HydrophobicContact CB-CZ 3.73Å
242	Q	89.3	Confident	89.8	Confident	3 Å²	3	8.5 Å²	8.5	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-48.2	-44.4	173	178.1	-155.1	-19.9	0	0	112.4	S162 S165 R240 L244 L245 Q246 E352	S162-Q242 VanDerWaalsContact O-CB 3.24Å; S162-Q242 WeakPolarHBondContact O-CB 3.27Å; S162-Q242 PolarHBondContact O-N 3.42Å; S165-Q242 VanDerWaalsContact CA-NE2 3.27Å; R240-Q242 VanDerWaalsContact C-N 3.32Å; R240-Q242 HydrophobicContact CG-CB 4.26Å; R240-Q242 VanDerWaalsContact NH1-OE1 3.07Å; R240-Q242 PolarHBondContact O-N 2.86Å; Q242-L244 VanDerWaalsContact C-N 3.34Å; Q242-L244 PolarHBondContact O-N 3.05Å; Q242-L245 WeakPolarHBondContact O-CB 3.37Å; Q242-L245 PolarHBondContact O-N 2.97Å; Q242-Q246 HydrophobicContact CG-CG 4.47Å; Q242-Q246 PolarHBondContact O-N 3.46Å; Q242-E352 VanDerWaalsContact NE2-CD 3.31Å; Q242-E352 PolarHBondContact NE2-OE1 2.84Å; Q242-E352 PolarHBondContact OE1-OE1 2.76Å
243	F	85.6	Confident	89.3	Confident	17 Å²	17	10.6 Å²	10.6	8%	0.075	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-45.3	178.8	164	-115.4	0	0	0	111.4	R240 P241 L245 Q246 F247 F348 M356 M359 L393	R240-F243 PolarHBondContact O-N 2.76Å; P241-F243 PolarHBondContact O-N 3.15Å; F243-L245 VanDerWaalsContact C-N 3.28Å; F243-L245 PolarHBondContact O-N 3.37Å; F243-Q246 PolarHBondContact O-N 3.17Å; F243-F247 HydrophobicContact CD2-CB 4.35Å; F243-F247 HydrophobicContact CE2-CB 3.88Å; F243-F247 HydrophobicContact CE2-CD1 4.25Å; F243-F247 HydrophobicContact CE2-CG 4.2Å; F243-F247 HydrophobicContact CZ-CB 4.25Å; F243-F247 AromaticContact CZ-CD1 3.86Å; F243-F247 HydrophobicContact CZ-CD1 3.86Å; F243-F247 HydrophobicContact CZ-CG 4.27Å; F243-F247 VanDerWaalsContact O-CB 3.23Å; F243-F247 WeakPolarHBondContact O-CB 3.49Å; F243-F247 PolarHBondContact O-N 2.76Å; F243-F348 HydrophobicContact CD2-CZ 4.03Å; F243-M356 HydrophobicContact CD1-CB 4.36Å; F243-M356 HydrophobicContact CD1-CG 4.04Å; F243-M356 HydrophobicContact CD2-CB 4.03Å; F243-M356 HydrophobicContact CD2-CG 3.73Å; F243-M356 HydrophobicContact CD2-SD 3.76Å; F243-M356 HydrophobicContact CE1-CG 3.79Å; F243-M356 HydrophobicContact CE2-CB 4.31Å; F243-M356 HydrophobicContact CE2-CG 3.5Å; F243-M356 HydrophobicContact CE2-SD 3.23Å; F243-M356 WeakPolarHBondContact CE2-SD 3.5Å; F243-M356 HydrophobicContact CG-CB 4.07Å; F243-M356 HydrophobicContact CG-CG 4.01Å; F243-M356 HydrophobicContact CZ-CG 3.54Å; F243-M356 HydrophobicContact CZ-SD 3.68Å; F243-M359 HydrophobicContact CD1-CE 4.32Å; F243-M359 HydrophobicContact CD1-SD 3.94Å; F243-M359 HydrophobicContact CE1-SD 4.28Å; F243-L393 HydrophobicContact CE1-CD1 3.79Å; F243-L393 HydrophobicContact CZ-CD1 4.36Å
244	L	90.3	Very high	88.7	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-63	-37.6	177.7	-59.6	175.3	0	0	0	111.4	L235 T236 P241 Q242 S248 M359 F386 A389 I390 L393	L235-L244 HydrophobicContact CB-CD1 3.98Å; L235-L244 HydrophobicContact CB-CD2 4.5Å; L235-L244 HydrophobicContact CD2-CD2 4.22Å; T236-L244 HydrophobicContact CG2-CD1 4Å; P241-L244 WeakPolarHBondContact O-CB 3.35Å; P241-L244 PolarHBondContact O-N 3.16Å; Q242-L244 VanDerWaalsContact C-N 3.34Å; Q242-L244 PolarHBondContact O-N 3.05Å; L244-S248 WeakPolarHBondContact O-CB 3.09Å; L244-S248 PolarHBondContact O-N 2.69Å; L244-S248 PolarHBondContact O-OG 3.32Å; L244-M359 HydrophobicContact CD1-CE 4.29Å; L244-M359 HydrophobicContact CD2-CE 4.41Å; L244-M359 HydrophobicContact CD2-SD 3.91Å; L244-M359 HydrophobicContact CG-CE 4.12Å; L244-M359 HydrophobicContact CG-SD 4.28Å; L244-F386 HydrophobicContact CB-CB 4.29Å; L244-F386 HydrophobicContact CB-CD1 3.81Å; L244-F386 HydrophobicContact CB-CG 4.36Å; L244-A389 HydrophobicContact CB-CB 4.27Å; L244-A389 HydrophobicContact CD2-CB 4.03Å; L244-A389 VanDerWaalsContact O-CB 3.31Å; L244-A389 WeakPolarHBondContact O-CB 3.19Å; L244-I390 HydrophobicContact CD1-CD1 4.39Å; L244-I390 HydrophobicContact CD1-CG1 4.16Å; L244-I390 HydrophobicContact CD2-CG1 4.28Å; L244-L393 HydrophobicContact CD2-CD1 3.93Å
245	L	89.4	Confident	88.3	Confident	2 Å²	2	12.7 Å²	12.7	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-64.2	-52.5	177.8	-164	79.4	0	0	0	111.3	C163 Y181 P241 Q242 F243 S248 E249 Y385 F386	C163-L245 HydrophobicContact CB-CD2 4.43Å; Y181-L245 WeakPolarHBondContact O-CD2 3.46Å; Y181-L245 WeakPolarHBondContact O-CG 3.48Å; P241-L245 PolarHBondContact O-N 3.32Å; Q242-L245 WeakPolarHBondContact O-CB 3.37Å; Q242-L245 PolarHBondContact O-N 2.97Å; F243-L245 VanDerWaalsContact C-N 3.28Å; F243-L245 PolarHBondContact O-N 3.37Å; L245-S248 PolarHBondContact O-N 3.19Å; L245-E249 PolarHBondContact O-N 2.96Å; L245-Y385 HydrophobicContact CD1-CD2 3.6Å; L245-Y385 HydrophobicContact CD1-CE2 4.49Å; L245-Y385 HydrophobicContact CD1-CG 4.19Å; L245-F386 HydrophobicContact CB-CD1 4.32Å; L245-F386 HydrophobicContact CB-CE1 4.05Å; L245-F386 HydrophobicContact CD1-CD1 4.21Å; L245-F386 HydrophobicContact CD1-CE1 3.86Å
246	Q	83.1	Confident	87.9	Confident	7 Å²	7	16.7 Å²	16.7	3%	0.033	9%	0.086	C	C	.	.	H	α-helix	trans	-66.7	-42.5	-179.2	-71.3	179.1	-63.3	0	0	111.5	Q242 F243 S248 E249 V250 S346 F348	Q242-Q246 HydrophobicContact CG-CG 4.47Å; Q242-Q246 PolarHBondContact O-N 3.46Å; F243-Q246 PolarHBondContact O-N 3.17Å; Q246-S248 VanDerWaalsContact C-N 3.3Å; Q246-S248 PolarHBondContact O-N 2.88Å; Q246-E249 WeakPolarHBondContact O-CB 3.24Å; Q246-E249 PolarHBondContact O-N 2.79Å; Q246-V250 VanDerWaalsContact O-CG2 3.23Å; Q246-V250 WeakPolarHBondContact O-CG2 3.28Å; Q246-V250 PolarHBondContact O-N 3.12Å; Q246-S346 PolarHBondContact NE2-OG 3.5Å; Q246-S346 VanDerWaalsContact NE2-OG 3.17Å; Q246-F348 HydrophobicContact CB-CZ 4.49Å
247	F	83.2	Confident	87.3	Confident	27 Å²	27	16.9 Å²	16.9	12%	0.118	9%	0.087	C	C	.	.	H	α-helix	trans	-68.9	-31.2	177.5	-171.8	-145.8	0	0	0	112	F243 V250 L251 I321 A389 R392 L393	F243-F247 HydrophobicContact CD2-CB 4.35Å; F243-F247 HydrophobicContact CE2-CB 3.88Å; F243-F247 HydrophobicContact CE2-CD1 4.25Å; F243-F247 HydrophobicContact CE2-CG 4.2Å; F243-F247 HydrophobicContact CZ-CB 4.25Å; F243-F247 AromaticContact CZ-CD1 3.86Å; F243-F247 HydrophobicContact CZ-CD1 3.86Å; F243-F247 HydrophobicContact CZ-CG 4.27Å; F243-F247 VanDerWaalsContact O-CB 3.23Å; F243-F247 WeakPolarHBondContact O-CB 3.49Å; F243-F247 PolarHBondContact O-N 2.76Å; F247-V250 HydrophobicContact CD2-CB 4.29Å; F247-V250 HydrophobicContact CD2-CG1 4.15Å; F247-V250 HydrophobicContact CE2-CG1 4.38Å; F247-V250 WeakPolarHBondContact O-CB 3.48Å; F247-V250 PolarHBondContact O-N 3.23Å; F247-L251 HydrophobicContact CD1-CD1 4.28Å; F247-L251 HydrophobicContact CD2-CD1 4.24Å; F247-L251 HydrophobicContact CD2-CG 4.11Å; F247-L251 HydrophobicContact CE1-CD1 4.07Å; F247-L251 HydrophobicContact CE2-CD1 4.03Å; F247-L251 HydrophobicContact CE2-CD2 3.91Å; F247-L251 HydrophobicContact CE2-CG 3.86Å; F247-L251 HydrophobicContact CG-CD1 4.35Å; F247-L251 HydrophobicContact CZ-CD1 3.94Å; F247-L251 HydrophobicContact CZ-CD2 4.14Å; F247-L251 HydrophobicContact CZ-CG 4.22Å; F247-L251 VanDerWaalsContact O-CG 3.24Å; F247-L251 WeakPolarHBondContact O-CG 3.27Å; F247-L251 PolarHBondContact O-N 3.3Å; F247-L251 VanDerWaalsContact O-N 3.09Å; F247-I321 HydrophobicContact CE2-CG2 4.33Å; F247-A389 HydrophobicContact CB-CB 3.97Å; F247-A389 HydrophobicContact CD1-CB 3.67Å; F247-A389 HydrophobicContact CG-CB 4.14Å; F247-R392 HydrophobicContact CE1-CB 4.31Å; F247-R392 HydrophobicContact CE1-CG 4.02Å; F247-R392 HydrophobicContact CZ-CG 3.89Å; F247-L393 HydrophobicContact CE1-CD2 4.07Å; F247-L393 HydrophobicContact CE1-CG 4.24Å
248	S	90.2	Very high	86.8	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-40	173.2	-62.6	0	0	0	0	112	Y181 L244 L245 Q246 V250 L251 A252 Y385 F386 A389	Y181-S248 VanDerWaalsContact CE1-CB 3.49Å; L244-S248 WeakPolarHBondContact O-CB 3.09Å; L244-S248 PolarHBondContact O-N 2.69Å; L244-S248 PolarHBondContact O-OG 3.32Å; L245-S248 PolarHBondContact O-N 3.19Å; Q246-S248 VanDerWaalsContact C-N 3.3Å; Q246-S248 PolarHBondContact O-N 2.88Å; S248-V250 VanDerWaalsContact C-N 3.33Å; S248-V250 PolarHBondContact O-N 3.02Å; S248-L251 PolarHBondContact O-N 3.46Å; S248-A252 WeakPolarHBondContact O-CB 3.49Å; S248-A252 PolarHBondContact O-N 3.44Å; S248-Y385 VanDerWaalsContact CB-O 3.27Å; S248-Y385 WeakPolarHBondContact CB-O 3.44Å; S248-Y385 PolarHBondContact OG-O 2.95Å; S248-F386 PolarHBondContact OG-O 3.42Å; S248-A389 WeakPolarHBondContact OG-CB 3.32Å; S248-A389 PolarHBondContact OG-N 3.46Å
249	E	86.8	Confident	86.5	Confident	15 Å²	15	19.9 Å²	19.9	7%	0.07	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-45.3	173.9	-170.2	-179.5	178.2	0	0	111.5	R177 D178 Y181 L245 Q246 L251 A252 K253	R177-E249 WeakPolarHBondContact CA-OE1 3.21Å; R177-E249 IonicContact CZ-OE2 3.58Å; R177-E249 IonicContact NE-OE2 3.1Å; R177-E249 PolarHBondContact NE-OE2 3.46Å; R177-E249 IonicContact NH2-OE2 2.9Å; R177-E249 PolarHBondContact NH2-OE2 2.83Å; D178-E249 HydrophobicContact CB-CG 4.28Å; D178-E249 PolarHBondContact N-OE1 3.39Å; Y181-E249 HydrophobicContact CD1-CB 4.27Å; Y181-E249 HydrophobicContact CD2-CB 3.9Å; Y181-E249 HydrophobicContact CD2-CG 3.91Å; Y181-E249 HydrophobicContact CG-CB 3.67Å; Y181-E249 HydrophobicContact CG-CG 4.1Å; L245-E249 PolarHBondContact O-N 2.96Å; Q246-E249 WeakPolarHBondContact O-CB 3.24Å; Q246-E249 PolarHBondContact O-N 2.79Å; E249-L251 PolarHBondContact O-N 2.95Å; E249-A252 PolarHBondContact O-N 2.9Å; E249-K253 HydrophobicContact CG-CD 4.04Å; E249-K253 HydrophobicContact CG-CG 4.41Å; E249-K253 WeakPolarHBondContact O-CB 3.42Å; E249-K253 WeakPolarHBondContact O-CG 3.48Å; E249-K253 PolarHBondContact O-N 3.18Å; E249-K253 VanDerWaalsContact OE1-CE 3.29Å; E249-K253 WeakPolarHBondContact OE1-CE 3.46Å; E249-K253 IonicContact OE1-NZ 3.74Å; E249-K253 PolarHBondContact OE1-NZ 2.83Å
250	V	79.8	Confident	86.1	Confident	6 Å²	6	23.8 Å²	23.8	4%	0.036	12%	0.119	C	C	.	.	H	α-helix	trans	-53.8	-54.5	175.3	160.4	0	0	0	0	111.1	Q246 F247 S248 A252 K253 W254 I321 L344 L345	Q246-V250 VanDerWaalsContact O-CG2 3.23Å; Q246-V250 WeakPolarHBondContact O-CG2 3.28Å; Q246-V250 PolarHBondContact O-N 3.12Å; F247-V250 HydrophobicContact CD2-CB 4.29Å; F247-V250 HydrophobicContact CD2-CG1 4.15Å; F247-V250 HydrophobicContact CE2-CG1 4.38Å; F247-V250 WeakPolarHBondContact O-CB 3.48Å; F247-V250 PolarHBondContact O-N 3.23Å; S248-V250 VanDerWaalsContact C-N 3.33Å; S248-V250 PolarHBondContact O-N 3.02Å; V250-A252 VanDerWaalsContact C-N 3.32Å; V250-A252 PolarHBondContact O-N 3.48Å; V250-K253 PolarHBondContact O-N 3.05Å; V250-W254 VanDerWaalsContact O-CB 3.29Å; V250-W254 WeakPolarHBondContact O-CB 3.33Å; V250-W254 PolarHBondContact O-N 2.77Å; V250-I321 HydrophobicContact CG1-CD1 4.26Å; V250-L344 HydrophobicContact CB-CD2 3.74Å; V250-L344 HydrophobicContact CG1-CB 4.32Å; V250-L344 HydrophobicContact CG1-CD1 4.1Å; V250-L344 HydrophobicContact CG1-CD2 3.57Å; V250-L344 HydrophobicContact CG1-CG 4.2Å; V250-L344 HydrophobicContact CG2-CB 4.25Å; V250-L344 HydrophobicContact CG2-CD2 3.85Å; V250-L344 WeakPolarHBondContact CG2-O 3.22Å; V250-L345 HydrophobicContact CG2-CD2 3.59Å; V250-L345 HydrophobicContact CG2-CG 4.16Å
251	L	84.1	Confident	85.8	Confident	32 Å²	32	22.5 Å²	22.5	17%	0.168	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-39.3	-176	-68.1	169.4	0	0	0	111.3	F247 S248 E249 R255 I321 P388 R392	F247-L251 HydrophobicContact CD1-CD1 4.28Å; F247-L251 HydrophobicContact CD2-CD1 4.24Å; F247-L251 HydrophobicContact CD2-CG 4.11Å; F247-L251 HydrophobicContact CE1-CD1 4.07Å; F247-L251 HydrophobicContact CE2-CD1 4.03Å; F247-L251 HydrophobicContact CE2-CD2 3.91Å; F247-L251 HydrophobicContact CE2-CG 3.86Å; F247-L251 HydrophobicContact CG-CD1 4.35Å; F247-L251 HydrophobicContact CZ-CD1 3.94Å; F247-L251 HydrophobicContact CZ-CD2 4.14Å; F247-L251 HydrophobicContact CZ-CG 4.22Å; F247-L251 VanDerWaalsContact O-CG 3.24Å; F247-L251 WeakPolarHBondContact O-CG 3.27Å; F247-L251 PolarHBondContact O-N 3.3Å; F247-L251 VanDerWaalsContact O-N 3.09Å; S248-L251 PolarHBondContact O-N 3.46Å; E249-L251 PolarHBondContact O-N 2.95Å; L251-R255 WeakPolarHBondContact O-CB 3.39Å; L251-R255 PolarHBondContact O-N 3.16Å; L251-I321 HydrophobicContact CD2-CG2 4.35Å; L251-P388 HydrophobicContact CB-CB 4.27Å; L251-P388 HydrophobicContact CD1-CB 4.29Å; L251-R392 HydrophobicContact CD1-CB 3.75Å; L251-R392 HydrophobicContact CD1-CG 4.2Å; L251-R392 HydrophobicContact CD2-CG 4.49Å
252	A	87.8	Confident	85.5	Confident	20 Å²	20	22.7 Å²	22.7	17%	0.165	12%	0.116	C	C	.	.	H	α-helix	trans	-66.8	-49.2	177.4	0	0	0	0	0	111.9	Y181 S248 E249 V250 W254 R255 C256	Y181-A252 HydrophobicContact CE2-CB 3.68Å; Y181-A252 WeakPolarHBondContact OH-CB 3.37Å; S248-A252 WeakPolarHBondContact O-CB 3.49Å; S248-A252 PolarHBondContact O-N 3.44Å; E249-A252 PolarHBondContact O-N 2.9Å; V250-A252 VanDerWaalsContact C-N 3.32Å; V250-A252 PolarHBondContact O-N 3.48Å; A252-W254 VanDerWaalsContact C-N 3.29Å; A252-W254 PolarHBondContact O-N 2.75Å; A252-R255 PolarHBondContact O-N 3.18Å; A252-C256 WeakPolarHBondContact O-CB 3.29Å; A252-C256 PolarHBondContact O-N 3.44Å; A252-C256 PolarHBondContact O-SG 3.2Å
253	K	83.6	Confident	85.4	Confident	47 Å²	47	26.8 Å²	26.8	20%	0.204	14%	0.141	C	C	.	.	H	α-helix	trans	-58.8	-41.6	175.9	-77.3	-178.4	168.8	171.8	0	111.4	E249 V250 C256 F257 V333	E249-K253 HydrophobicContact CG-CD 4.04Å; E249-K253 HydrophobicContact CG-CG 4.41Å; E249-K253 WeakPolarHBondContact O-CB 3.42Å; E249-K253 WeakPolarHBondContact O-CG 3.48Å; E249-K253 PolarHBondContact O-N 3.18Å; E249-K253 VanDerWaalsContact OE1-CE 3.29Å; E249-K253 WeakPolarHBondContact OE1-CE 3.46Å; E249-K253 IonicContact OE1-NZ 3.74Å; E249-K253 PolarHBondContact OE1-NZ 2.83Å; V250-K253 PolarHBondContact O-N 3.05Å; K253-C256 PolarHBondContact O-N 3.41Å; K253-F257 WeakPolarHBondContact O-CB 3.42Å; K253-F257 PolarHBondContact O-N 2.94Å; K253-V333 HydrophobicContact CB-CB 4.41Å; K253-V333 HydrophobicContact CB-CG1 4.1Å; K253-V333 HydrophobicContact CB-CG2 4.19Å
254	W	81.6	Confident	85.4	Confident	10 Å²	10	31 Å²	31	4%	0.038	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-42.1	177.2	-168.8	-118.2	0	0	0	113.1	V250 A252 F257 F258 W317 L320 I321 L331 V333 L344	V250-W254 VanDerWaalsContact O-CB 3.29Å; V250-W254 WeakPolarHBondContact O-CB 3.33Å; V250-W254 PolarHBondContact O-N 2.77Å; A252-W254 VanDerWaalsContact C-N 3.29Å; A252-W254 PolarHBondContact O-N 2.75Å; W254-F257 HydrophobicContact CE3-CD1 4.44Å; W254-F257 HydrophobicContact CZ3-CD1 4.24Å; W254-F257 PolarHBondContact O-N 2.89Å; W254-F258 PolarHBondContact O-N 3.18Å; W254-F258 VanDerWaalsContact O-N 3.16Å; W254-W317 AromaticContact CD1-CD1 3.42Å; W254-W317 VanDerWaalsContact CD1-CD1 3.42Å; W254-W317 AromaticContact CD1-NE1 3.15Å; W254-W317 AromaticContact CD2-CE2 3.72Å; W254-W317 AromaticContact CD2-CZ2 3.72Å; W254-W317 HydrophobicContact CD2-CZ2 3.72Å; W254-W317 AromaticContact CD2-NE1 3.48Å; W254-W317 AromaticContact CE2-CD1 3.83Å; W254-W317 AromaticContact CE2-CD2 3.9Å; W254-W317 AromaticContact CE2-CE2 3.22Å; W254-W317 AromaticContact CE2-CZ2 3.46Å; W254-W317 VanDerWaalsContact CE2-CZ2 3.46Å; W254-W317 AromaticContact CE2-NE1 3.19Å; W254-W317 AromaticContact CE3-CZ2 3.82Å; W254-W317 HydrophobicContact CE3-CZ2 3.82Å; W254-W317 AromaticContact CG-NE1 3.49Å; W254-W317 AromaticContact CH2-CH2 3.53Å; W254-W317 HydrophobicContact CH2-CH2 3.53Å; W254-W317 AromaticContact CH2-CZ2 3.41Å; W254-W317 HydrophobicContact CH2-CZ2 3.41Å; W254-W317 VanDerWaalsContact CH2-CZ2 3.41Å; W254-W317 HydrophobicContact CH2-CZ3 4.23Å; W254-W317 AromaticContact CZ2-CD2 3.84Å; W254-W317 HydrophobicContact CZ2-CD2 3.84Å; W254-W317 AromaticContact CZ2-CE2 3.38Å; W254-W317 HydrophobicContact CZ2-CE3 4.15Å; W254-W317 AromaticContact CZ2-CH2 3.67Å; W254-W317 HydrophobicContact CZ2-CH2 3.67Å; W254-W317 AromaticContact CZ2-CZ2 3.3Å; W254-W317 HydrophobicContact CZ2-CZ2 3.3Å; W254-W317 HydrophobicContact CZ2-CZ3 4.06Å; W254-W317 AromaticContact CZ2-NE1 3.87Å; W254-W317 HydrophobicContact CZ3-CH2 4.07Å; W254-W317 AromaticContact CZ3-CZ2 3.67Å; W254-W317 HydrophobicContact CZ3-CZ2 3.67Å; W254-W317 AromaticContact NE1-CD1 3.16Å; W254-W317 AromaticContact NE1-CD2 3.9Å; W254-W317 AromaticContact NE1-CE2 3.46Å; W254-W317 AromaticContact NE1-CG 3.75Å; W254-W317 AromaticContact NE1-NE1 2.97Å; W254-W317 PolarHBondContact NE1-O 3.13Å; W254-W317 PolarHBondContact O-NE1 3.4Å; W254-L320 HydrophobicContact CZ2-CB 4.13Å; W254-L320 HydrophobicContact CZ2-CD1 4.1Å; W254-I321 HydrophobicContact CB-CD1 3.65Å; W254-I321 HydrophobicContact CD2-CD1 3.5Å; W254-I321 VanDerWaalsContact CD2-CD1 3.5Å; W254-I321 HydrophobicContact CD2-CG1 4.15Å; W254-I321 HydrophobicContact CE3-CD1 4.24Å; W254-I321 HydrophobicContact CG-CD1 3.19Å; W254-I321 HydrophobicContact CG-CG1 4.14Å; W254-I321 HydrophobicContact CZ2-CG1 4.44Å; W254-L331 HydrophobicContact CH2-CD2 4.02Å; W254-L331 HydrophobicContact CZ2-CD2 4.44Å; W254-L331 HydrophobicContact CZ3-CD2 4.14Å; W254-V333 HydrophobicContact CE3-CG2 4.32Å; W254-L344 HydrophobicContact CD2-CD1 4.47Å; W254-L344 HydrophobicContact CE3-CD1 3.91Å; W254-L344 HydrophobicContact CZ3-CD1 4.38Å
255	R	86.8	Confident	85.3	Confident	50 Å²	50	33 Å²	33	19%	0.189	17%	0.17	C	C	.	.	H	α-helix	trans	-69.3	-41.6	176	-178.5	171.9	177.3	169.8	-3.7	112.1	L251 A252 F257 F258 H259 L314 D421 N422	L251-R255 WeakPolarHBondContact O-CB 3.39Å; L251-R255 PolarHBondContact O-N 3.16Å; A252-R255 PolarHBondContact O-N 3.18Å; R255-F257 VanDerWaalsContact C-N 3.25Å; R255-F257 PolarHBondContact O-N 2.95Å; R255-F258 WeakPolarHBondContact O-CB 3.49Å; R255-F258 PolarHBondContact O-N 2.88Å; R255-H259 PolarHBondContact NE-NE2 3.17Å; R255-H259 PolarHBondContact O-CD2 3.34Å; R255-H259 PolarHBondContact O-N 3.25Å; R255-L314 HydrophobicContact CG-CD1 4.24Å; R255-L314 HydrophobicContact CG-CD2 4.41Å; R255-D421 IonicContact NH2-OD2 3.67Å; R255-N422 PolarHBondContact NH1-OD1 3.02Å
256	C	85.6	Confident	85.1	Confident	84 Å²	84	36.1 Å²	36.1	57%	0.568	20%	0.202	S	C	*	.	H	α-helix	trans	-59.2	-39.5	173.8	-71.4	0	0	0	0	111.4	A252 K253 H259 Q260	A252-C256 WeakPolarHBondContact O-CB 3.29Å; A252-C256 PolarHBondContact O-N 3.44Å; A252-C256 PolarHBondContact O-SG 3.2Å; K253-C256 PolarHBondContact O-N 3.41Å; C256-H259 PolarHBondContact O-N 3.17Å; C256-Q260 PolarHBondContact O-N 3.4Å
257	F	81.8	Confident	85.2	Confident	5 Å²	5	38 Å²	38	2%	0.022	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-43.3	176.7	-176	-141.1	0	0	0	111.9	K253 W254 R255 H259 Q260 M261 V286 L289 I291 W317 V333 P334	K253-F257 WeakPolarHBondContact O-CB 3.42Å; K253-F257 PolarHBondContact O-N 2.94Å; W254-F257 HydrophobicContact CE3-CD1 4.44Å; W254-F257 HydrophobicContact CZ3-CD1 4.24Å; W254-F257 PolarHBondContact O-N 2.89Å; R255-F257 VanDerWaalsContact C-N 3.25Å; R255-F257 PolarHBondContact O-N 2.95Å; F257-H259 VanDerWaalsContact C-N 3.34Å; F257-H259 PolarHBondContact O-N 2.82Å; F257-Q260 WeakPolarHBondContact O-CB 3.36Å; F257-Q260 PolarHBondContact O-N 2.94Å; F257-M261 HydrophobicContact CD2-CE 4.23Å; F257-M261 HydrophobicContact CD2-CG 4.16Å; F257-M261 HydrophobicContact CE2-CE 3.64Å; F257-M261 HydrophobicContact CE2-CG 3.82Å; F257-M261 HydrophobicContact CE2-SD 3.73Å; F257-M261 HydrophobicContact CZ-CG 4.14Å; F257-M261 HydrophobicContact CZ-SD 4.05Å; F257-M261 WeakPolarHBondContact O-CG 3.46Å; F257-M261 PolarHBondContact O-N 3.22Å; F257-V286 HydrophobicContact CZ-CG2 4.24Å; F257-L289 HydrophobicContact CE2-CD1 4.01Å; F257-L289 HydrophobicContact CZ-CD1 4.18Å; F257-I291 HydrophobicContact CE1-CD1 4.04Å; F257-I291 HydrophobicContact CZ-CD1 3.66Å; F257-W317 AromaticContact CD1-CH2 3.69Å; F257-W317 HydrophobicContact CD1-CH2 3.69Å; F257-W317 AromaticContact CD1-CZ2 3.45Å; F257-W317 HydrophobicContact CD1-CZ2 3.45Å; F257-W317 VanDerWaalsContact CD1-CZ2 3.45Å; F257-W317 AromaticContact CE1-CH2 3.64Å; F257-W317 HydrophobicContact CE1-CH2 3.64Å; F257-W317 AromaticContact CE1-CZ2 3.93Å; F257-W317 HydrophobicContact CE1-CZ2 3.93Å; F257-W317 HydrophobicContact CG-CZ2 4.28Å; F257-V333 HydrophobicContact CB-CG1 3.95Å; F257-V333 HydrophobicContact CG-CG1 4.34Å; F257-P334 HydrophobicContact CD1-CG 4.33Å; F257-P334 HydrophobicContact CD2-CG 3.41Å; F257-P334 VanDerWaalsContact CD2-CG 3.41Å; F257-P334 HydrophobicContact CE1-CG 4.39Å; F257-P334 HydrophobicContact CE2-CG 3.44Å; F257-P334 VanDerWaalsContact CE2-CG 3.44Å; F257-P334 HydrophobicContact CG-CG 3.92Å; F257-P334 HydrophobicContact CZ-CG 3.98Å
258	F	84.9	Confident	85.2	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.1	-47.4	172	-179.7	-92.8	0	0	0	112.3	W254 R255 Q260 M261 A262 T275 L277 L314 W317	W254-F258 PolarHBondContact O-N 3.18Å; W254-F258 VanDerWaalsContact O-N 3.16Å; R255-F258 WeakPolarHBondContact O-CB 3.49Å; R255-F258 PolarHBondContact O-N 2.88Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-Q260 PolarHBondContact O-N 3Å; F258-M261 PolarHBondContact O-N 2.75Å; F258-A262 PolarHBondContact O-N 3.31Å; F258-T275 HydrophobicContact CE1-CG2 3.54Å; F258-T275 HydrophobicContact CZ-CG2 3.9Å; F258-L277 HydrophobicContact CD2-CD1 3.46Å; F258-L277 VanDerWaalsContact CD2-CD1 3.46Å; F258-L277 HydrophobicContact CD2-CG 4.2Å; F258-L277 HydrophobicContact CE2-CD1 3.42Å; F258-L277 VanDerWaalsContact CE2-CD1 3.42Å; F258-L277 HydrophobicContact CE2-CG 3.64Å; F258-L277 HydrophobicContact CG-CD1 4.22Å; F258-L277 HydrophobicContact CZ-CD1 4.13Å; F258-L277 HydrophobicContact CZ-CG 3.95Å; F258-L314 HydrophobicContact CB-CD1 4Å; F258-L314 HydrophobicContact CD1-CB 4.19Å; F258-L314 HydrophobicContact CD1-CD1 3.68Å; F258-L314 HydrophobicContact CD1-CG 4.4Å; F258-L314 HydrophobicContact CD2-CD1 4.27Å; F258-L314 HydrophobicContact CE1-CB 3.8Å; F258-L314 HydrophobicContact CE1-CD1 4.19Å; F258-L314 HydrophobicContact CE1-CG 4.48Å; F258-L314 HydrophobicContact CE2-CB 4.44Å; F258-L314 HydrophobicContact CG-CD1 3.72Å; F258-L314 HydrophobicContact CZ-CB 3.95Å; F258-W317 HydrophobicContact CB-CD2 4.38Å; F258-W317 HydrophobicContact CB-CG 4.17Å; F258-W317 HydrophobicContact CD2-CB 3.7Å; F258-W317 AromaticContact CD2-CD1 3.88Å; F258-W317 AromaticContact CD2-CD2 3.92Å; F258-W317 HydrophobicContact CD2-CD2 3.92Å; F258-W317 AromaticContact CD2-CG 3.55Å; F258-W317 HydrophobicContact CD2-CG 3.55Å; F258-W317 HydrophobicContact CE2-CB 4.04Å; F258-W317 HydrophobicContact CE2-CG 4.37Å; F258-W317 HydrophobicContact CG-CG 4.22Å
259	H	86.9	Confident	84.5	Confident	65 Å²	65	44.2 Å²	44.2	30%	0.301	28%	0.276	S	S	.	.	H	α-helix	trans	-65.4	-35.9	179.1	-70.5	-55.9	0	0	0	112.6	R255 C256 F257 A262 V263	R255-H259 PolarHBondContact NE-NE2 3.17Å; R255-H259 PolarHBondContact O-CD2 3.34Å; R255-H259 PolarHBondContact O-N 3.25Å; C256-H259 PolarHBondContact O-N 3.17Å; F257-H259 VanDerWaalsContact C-N 3.34Å; F257-H259 PolarHBondContact O-N 2.82Å; H259-A262 WeakPolarHBondContact O-CB 3.48Å; H259-A262 PolarHBondContact O-N 2.93Å; H259-V263 WeakPolarHBondContact O-CG2 3.27Å; H259-V263 PolarHBondContact O-N 2.76Å
260	Q	84.4	Confident	84.3	Confident	82 Å²	82	47.8 Å²	47.8	38%	0.383	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-45.4	173.4	-175.4	180	-9.4	0	0	111.1	C256 F257 F258 A262 V263 E264	C256-Q260 PolarHBondContact O-N 3.4Å; F257-Q260 WeakPolarHBondContact O-CB 3.36Å; F257-Q260 PolarHBondContact O-N 2.94Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-Q260 PolarHBondContact O-N 3Å; Q260-A262 VanDerWaalsContact C-N 3.29Å; Q260-A262 PolarHBondContact O-N 2.7Å; Q260-V263 PolarHBondContact O-N 3.44Å; Q260-E264 PolarHBondContact O-N 2.77Å
261	M	84.4	Confident	84.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-63.6	-35.9	175.4	-62.5	-63.6	91.3	0	0	111.9	F257 F258 V263 E264 Q265 L277 L282	F257-M261 HydrophobicContact CD2-CE 4.23Å; F257-M261 HydrophobicContact CD2-CG 4.16Å; F257-M261 HydrophobicContact CE2-CE 3.64Å; F257-M261 HydrophobicContact CE2-CG 3.82Å; F257-M261 HydrophobicContact CE2-SD 3.73Å; F257-M261 HydrophobicContact CZ-CG 4.14Å; F257-M261 HydrophobicContact CZ-SD 4.05Å; F257-M261 WeakPolarHBondContact O-CG 3.46Å; F257-M261 PolarHBondContact O-N 3.22Å; F258-M261 PolarHBondContact O-N 2.75Å; M261-V263 PolarHBondContact O-N 3.23Å; M261-E264 HydrophobicContact CE-CG 4.4Å; M261-E264 VanDerWaalsContact CE-OE1 3.26Å; M261-E264 WeakPolarHBondContact CE-OE1 3.44Å; M261-E264 VanDerWaalsContact CE-OE2 3.27Å; M261-E264 WeakPolarHBondContact CE-OE2 3.33Å; M261-E264 PolarHBondContact O-N 3.22Å; M261-Q265 WeakPolarHBondContact O-CG 3.45Å; M261-Q265 PolarHBondContact O-N 3.45Å; M261-Q265 VanDerWaalsContact O-N 3.1Å; M261-L277 HydrophobicContact CB-CD1 3.78Å; M261-L277 HydrophobicContact CB-CD2 4.42Å; M261-L282 HydrophobicContact CB-CD1 3.99Å; M261-L282 HydrophobicContact CG-CD1 3.64Å; M261-L282 HydrophobicContact SD-CD1 4.07Å
262	A	87.3	Confident	84.3	Confident	4 Å²	4	48 Å²	48	3%	0.033	30%	0.302	C	S	.	.	H	α-helix	trans	-62.4	-42.1	173.9	0	0	0	0	0	112.4	F258 H259 Q260 Q265 G266 Q267 T275 L277	F258-A262 PolarHBondContact O-N 3.31Å; H259-A262 WeakPolarHBondContact O-CB 3.48Å; H259-A262 PolarHBondContact O-N 2.93Å; Q260-A262 VanDerWaalsContact C-N 3.29Å; Q260-A262 PolarHBondContact O-N 2.7Å; A262-Q265 CarbonylContact O-C 3.45Å; A262-Q265 PolarHBondContact O-N 2.77Å; A262-G266 PolarHBondContact O-N 2.74Å; A262-Q267 HydrophobicContact CB-CB 4.24Å; A262-Q267 WeakPolarHBondContact O-CA 3.34Å; A262-Q267 WeakPolarHBondContact O-CB 3.36Å; A262-Q267 PolarHBondContact O-N 3.05Å; A262-T275 HydrophobicContact CB-CG2 3.46Å; A262-T275 VanDerWaalsContact CB-CG2 3.46Å; A262-L277 HydrophobicContact CB-CD2 3.75Å
263	V	86.8	Confident	84	Confident	89 Å²	89	49 Å²	49	54%	0.539	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-42.6	176.1	172.4	0	0	0	0	111.1	H259 Q260 M261 Q265 G266 A268	H259-V263 WeakPolarHBondContact O-CG2 3.27Å; H259-V263 PolarHBondContact O-N 2.76Å; Q260-V263 PolarHBondContact O-N 3.44Å; M261-V263 PolarHBondContact O-N 3.23Å; V263-Q265 PolarHBondContact O-N 3.47Å; V263-G266 PolarHBondContact O-N 3.29Å; V263-A268 HydrophobicContact CG1-CB 4.48Å; V263-A268 HydrophobicContact CG2-CB 4.04Å
264	E	84.9	Confident	84.1	Confident	105 Å²	105	51.9 Å²	51.9	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-60.9	-31.7	175.8	-72.5	179.6	-168.7	0	0	112.6	Q260 M261 G266 S285	Q260-E264 PolarHBondContact O-N 2.77Å; M261-E264 HydrophobicContact CE-CG 4.4Å; M261-E264 VanDerWaalsContact CE-OE1 3.26Å; M261-E264 WeakPolarHBondContact CE-OE1 3.44Å; M261-E264 VanDerWaalsContact CE-OE2 3.27Å; M261-E264 WeakPolarHBondContact CE-OE2 3.33Å; M261-E264 PolarHBondContact O-N 3.22Å; E264-G266 VanDerWaalsContact C-N 3.28Å; E264-G266 PolarHBondContact O-N 3.08Å; E264-S285 PolarHBondContact OE2-OG 3.2Å
265	Q	88	Confident	84.4	Confident	42 Å²	42	51.5 Å²	51.5	20%	0.196	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	10.8	175	-62.8	-167.9	22.9	0	0	113.9	M261 A262 V263 Q267 E278 V281	M261-Q265 WeakPolarHBondContact O-CG 3.45Å; M261-Q265 PolarHBondContact O-N 3.45Å; M261-Q265 VanDerWaalsContact O-N 3.1Å; A262-Q265 CarbonylContact O-C 3.45Å; A262-Q265 PolarHBondContact O-N 2.77Å; V263-Q265 PolarHBondContact O-N 3.47Å; Q265-Q267 VanDerWaalsContact C-N 3.3Å; Q265-Q267 PolarHBondContact O-N 2.8Å; Q265-E278 PolarHBondContact NE2-O 3.37Å; Q265-E278 VanDerWaalsContact NE2-O 3.12Å; Q265-V281 HydrophobicContact CG-CB 4.46Å; Q265-V281 HydrophobicContact CG-CG1 3.9Å
266	G	85.8	Confident	84.4	Confident	67 Å²	67	53.9 Å²	53.9	69%	0.691	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	15.2	176.9	0	0	0	0	0	114.8	A262 V263 E264 A268	A262-G266 PolarHBondContact O-N 2.74Å; V263-G266 PolarHBondContact O-N 3.29Å; E264-G266 VanDerWaalsContact C-N 3.28Å; E264-G266 PolarHBondContact O-N 3.08Å; G266-A268 VanDerWaalsContact C-N 3.32Å; G266-A268 PolarHBondContact O-N 2.93Å
267	Q	85.6	Confident	84.5	Confident	48 Å²	48	49.9 Å²	49.9	22%	0.224	31%	0.305	C	S	.	.			trans	-95.6	26.3	179.3	-67.8	-168.6	-6.1	0	0	113.3	A262 Q265 G269 L270 K276	A262-Q267 HydrophobicContact CB-CB 4.24Å; A262-Q267 WeakPolarHBondContact O-CA 3.34Å; A262-Q267 WeakPolarHBondContact O-CB 3.36Å; A262-Q267 PolarHBondContact O-N 3.05Å; Q265-Q267 VanDerWaalsContact C-N 3.3Å; Q265-Q267 PolarHBondContact O-N 2.8Å; Q267-G269 PolarHBondContact O-N 3.31Å; Q267-L270 HydrophobicContact CB-CD1 3.85Å; Q267-L270 HydrophobicContact CG-CD1 3.97Å; Q267-L270 PolarHBondContact O-N 3.11Å; Q267-K276 VanDerWaalsContact CD-O 3.23Å; Q267-K276 PolarHBondContact NE2-O 2.88Å; Q267-K276 PolarHBondContact OE1-O 2.68Å
268	A	82.4	Confident	84.7	Confident	69 Å²	69	54.2 Å²	54.2	57%	0.57	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	129.7	179.7	0	0	0	0	0	111.5	V263 G266	V263-A268 HydrophobicContact CG1-CB 4.48Å; V263-A268 HydrophobicContact CG2-CB 4.04Å; G266-A268 VanDerWaalsContact C-N 3.32Å; G266-A268 PolarHBondContact O-N 2.93Å
269	G	75.8	Confident	84.6	Confident	87 Å²	87	54.6 Å²	54.6	90%	0.897	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	4	174.1	0	0	0	0	0	116	Q267	Q267-G269 PolarHBondContact O-N 3.31Å
270	L	82.1	Confident	84.3	Confident	90 Å²	90	54.8 Å²	54.8	47%	0.471	34%	0.34	S	S	.	.			trans	-68.2	151.1	168.1	-66.9	-178	0	0	0	111	Q267	Q267-L270 HydrophobicContact CB-CD1 3.85Å; Q267-L270 HydrophobicContact CG-CD1 3.97Å; Q267-L270 PolarHBondContact O-N 3.11Å
271	A	81.9	Confident	84.2	Confident	42 Å²	42	53.8 Å²	53.8	35%	0.347	34%	0.34	S	S	.	.			trans	-64.9	149.3	173.4	0	0	0	0	0	109.8	M273 D274 T275	A271-M273 PolarHBondContact O-N 3.43Å; A271-D274 PolarHBondContact O-N 2.9Å; A271-T275 PolarHBondContact O-N 3.37Å; A271-T275 PolarHBondContact O-OG1 2.85Å
272	A	82.4	Confident	84	Confident	2 Å²	2	53.8 Å²	53.8	2%	0.017	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.6	-175.2	0	0	0	0	0	114.1	L314 D421 L425	A272-L314 HydrophobicContact CB-CD2 4.26Å; A272-D421 HydrophobicContact CB-CB 4.06Å; A272-L425 HydrophobicContact CB-CD1 4Å; A272-L425 HydrophobicContact CB-CG 4.46Å
273	M	82.2	Confident	83.6	Confident	40 Å²	40	56.2 Å²	56.2	20%	0.197	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.8	177.7	-63.9	-87.9	56.6	0	0	114.7	A271 L315 L425 E428	A271-M273 PolarHBondContact O-N 3.43Å; M273-L315 HydrophobicContact CE-CD1 4.21Å; M273-L315 HydrophobicContact CE-CG 4.39Å; M273-L425 HydrophobicContact CE-CD2 3.27Å; M273-L425 HydrophobicContact CE-CG 3.99Å; M273-L425 HydrophobicContact SD-CD2 4.18Å; M273-L425 HydrophobicContact SD-CG 4.26Å; M273-E428 HydrophobicContact CE-CB 4.13Å; M273-E428 HydrophobicContact CE-CG 4.02Å; M273-E428 HydrophobicContact SD-CB 3.71Å; M273-E428 HydrophobicContact SD-CG 4.11Å
274	D	85.1	Confident	83.3	Confident	107 Å²	107	56.9 Å²	56.9	57%	0.572	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-16	-177.2	-59.6	-43	0	0	0	112.2	A271 K276	A271-D274 PolarHBondContact O-N 2.9Å; D274-K276 PolarHBondContact O-N 2.96Å
275	T	87.2	Confident	82.9	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.012	33%	0.33	C	S	.	.			trans	-71.7	122.8	-179.7	-54.5	0	0	0	0	111.2	F258 A262 A271	F258-T275 HydrophobicContact CE1-CG2 3.54Å; F258-T275 HydrophobicContact CZ-CG2 3.9Å; A262-T275 HydrophobicContact CB-CG2 3.46Å; A262-T275 VanDerWaalsContact CB-CG2 3.46Å; A271-T275 PolarHBondContact O-N 3.37Å; A271-T275 PolarHBondContact O-OG1 2.85Å
276	K	87.5	Confident	82.2	Confident	101 Å²	101	50.8 Å²	50.8	44%	0.439	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	114.6	-179.5	-67	-172.3	179.9	-173.1	0	110.4	Q267 D274 D313	Q267-K276 VanDerWaalsContact CD-O 3.23Å; Q267-K276 PolarHBondContact NE2-O 2.88Å; Q267-K276 PolarHBondContact OE1-O 2.68Å; D274-K276 PolarHBondContact O-N 2.96Å; K276-D313 HydrophobicContact CG-CB 4.46Å
277	L	86.6	Confident	81.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.5	179	-56.9	-176.4	0	0	0	110.8	F258 M261 A262 V279 L282 T311 M312	F258-L277 HydrophobicContact CD2-CD1 3.46Å; F258-L277 VanDerWaalsContact CD2-CD1 3.46Å; F258-L277 HydrophobicContact CD2-CG 4.2Å; F258-L277 HydrophobicContact CE2-CD1 3.42Å; F258-L277 VanDerWaalsContact CE2-CD1 3.42Å; F258-L277 HydrophobicContact CE2-CG 3.64Å; F258-L277 HydrophobicContact CG-CD1 4.22Å; F258-L277 HydrophobicContact CZ-CD1 4.13Å; F258-L277 HydrophobicContact CZ-CG 3.95Å; M261-L277 HydrophobicContact CB-CD1 3.78Å; M261-L277 HydrophobicContact CB-CD2 4.42Å; A262-L277 HydrophobicContact CB-CD2 3.75Å; L277-V279 PolarHBondContact O-N 2.73Å; L277-L282 HydrophobicContact CD1-CD1 4.25Å; L277-L282 HydrophobicContact CD1-CD2 4.43Å; L277-T311 CarbonylContact O-C 3.52Å; L277-T311 VanDerWaalsContact O-CA 3.25Å; L277-T311 WeakPolarHBondContact O-CA 3.15Å; L277-M312 PolarHBondContact N-O 2.72Å; L277-M312 PolarHBondContact O-N 2.74Å
278	E	86.7	Confident	81.2	Confident	96 Å²	96	54.2 Å²	54.2	45%	0.449	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	121.5	165.5	-70.2	-63.7	154.4	0	0	109.1	Q265 A280 V281 L282 T311	Q265-E278 PolarHBondContact NE2-O 3.37Å; Q265-E278 VanDerWaalsContact NE2-O 3.12Å; E278-A280 PolarHBondContact O-N 3.44Å; E278-V281 HydrophobicContact CB-CB 4.26Å; E278-V281 HydrophobicContact CB-CG2 3.95Å; E278-V281 PolarHBondContact O-N 2.87Å; E278-L282 PolarHBondContact O-N 3.01Å; E278-T311 WeakPolarHBondContact OE1-CG2 3.5Å
279	V	82.9	Confident	80.6	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.042	31%	0.314	C	S	.	.	H	α-helix	trans	-71.2	-36.3	-169.9	170.1	0	0	0	0	111.1	L277 V281 L282 Q283 F301 L306 G310 M312	L277-V279 PolarHBondContact O-N 2.73Å; V279-V281 VanDerWaalsContact C-N 3.28Å; V279-V281 PolarHBondContact O-N 3.38Å; V279-L282 WeakPolarHBondContact O-CB 3.34Å; V279-L282 PolarHBondContact O-N 3.09Å; V279-Q283 HydrophobicContact CG1-CG 4.13Å; V279-Q283 WeakPolarHBondContact O-CB 3.35Å; V279-Q283 VanDerWaalsContact O-CG 3.24Å; V279-Q283 WeakPolarHBondContact O-CG 3.37Å; V279-Q283 PolarHBondContact O-N 3.45Å; V279-F301 HydrophobicContact CG1-CB 4.04Å; V279-F301 HydrophobicContact CG1-CD1 4.22Å; V279-F301 HydrophobicContact CG1-CG 4.11Å; V279-L306 HydrophobicContact CB-CD2 3.86Å; V279-L306 HydrophobicContact CG1-CD1 4.06Å; V279-L306 HydrophobicContact CG1-CD2 3.5Å; V279-L306 VanDerWaalsContact CG1-CD2 3.5Å; V279-L306 HydrophobicContact CG1-CG 4.44Å; V279-L306 HydrophobicContact CG2-CD2 3.2Å; V279-G310 WeakPolarHBondContact CB-O 3.34Å; V279-G310 WeakPolarHBondContact CG2-O 3.33Å; V279-G310 PolarHBondContact N-O 3.4Å; V279-M312 HydrophobicContact CG2-CB 3.79Å
280	A	80.9	Confident	80.1	Confident	69 Å²	69	52.7 Å²	52.7	57%	0.57	30%	0.298	S	S	*	.	H	α-helix	trans	-59	-41.1	175.7	0	0	0	0	0	112	E278 E284	E278-A280 PolarHBondContact O-N 3.44Å; A280-E284 PolarHBondContact O-N 2.91Å; A280-E284 VanDerWaalsContact O-N 3.17Å
281	V	82.7	Confident	79.1	Confident	62 Å²	62	49.2 Å²	49.2	38%	0.376	28%	0.279	S	S	.	.	H	α-helix	trans	-70.2	-41.3	177.7	-178.3	0	0	0	0	110.4	Q265 E278 V279 E284 S285	Q265-V281 HydrophobicContact CG-CB 4.46Å; Q265-V281 HydrophobicContact CG-CG1 3.9Å; E278-V281 HydrophobicContact CB-CB 4.26Å; E278-V281 HydrophobicContact CB-CG2 3.95Å; E278-V281 PolarHBondContact O-N 2.87Å; V279-V281 VanDerWaalsContact C-N 3.28Å; V279-V281 PolarHBondContact O-N 3.38Å; V281-E284 PolarHBondContact O-N 3.31Å; V281-S285 PolarHBondContact O-N 2.93Å; V281-S285 PolarHBondContact O-OG 3.48Å
282	L	80.3	Confident	78.1	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-47	176	-178.3	64.6	0	0	0	111.9	M261 L277 E278 V279 E284 S285 V286 F301 M312 W317	M261-L282 HydrophobicContact CB-CD1 3.99Å; M261-L282 HydrophobicContact CG-CD1 3.64Å; M261-L282 HydrophobicContact SD-CD1 4.07Å; L277-L282 HydrophobicContact CD1-CD1 4.25Å; L277-L282 HydrophobicContact CD1-CD2 4.43Å; E278-L282 PolarHBondContact O-N 3.01Å; V279-L282 WeakPolarHBondContact O-CB 3.34Å; V279-L282 PolarHBondContact O-N 3.09Å; L282-E284 VanDerWaalsContact C-N 3.27Å; L282-E284 PolarHBondContact O-N 3.49Å; L282-S285 PolarHBondContact O-N 3.35Å; L282-V286 HydrophobicContact CD1-CG2 4.16Å; L282-V286 HydrophobicContact CG-CG2 4.34Å; L282-V286 WeakPolarHBondContact O-CB 3.31Å; L282-V286 WeakPolarHBondContact O-CG2 3.32Å; L282-V286 PolarHBondContact O-N 3.08Å; L282-F301 HydrophobicContact CD2-CE1 3.55Å; L282-F301 HydrophobicContact CD2-CE2 4.47Å; L282-F301 HydrophobicContact CD2-CZ 3.51Å; L282-F301 HydrophobicContact CG-CE1 4.49Å; L282-F301 HydrophobicContact CG-CZ 4Å; L282-M312 HydrophobicContact CD2-SD 4.31Å; L282-W317 HydrophobicContact CD1-CZ3 4.29Å; L282-W317 HydrophobicContact CD2-CE3 4.23Å; L282-W317 HydrophobicContact CD2-CZ3 3.88Å
283	Q	78.7	Confident	77.5	Confident	55 Å²	55	50.7 Å²	50.7	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-59.1	-40	176.8	-70.8	179	-30	0	0	111.5	V279 A287 I297 F301	V279-Q283 HydrophobicContact CG1-CG 4.13Å; V279-Q283 WeakPolarHBondContact O-CB 3.35Å; V279-Q283 VanDerWaalsContact O-CG 3.24Å; V279-Q283 WeakPolarHBondContact O-CG 3.37Å; V279-Q283 PolarHBondContact O-N 3.45Å; Q283-A287 VanDerWaalsContact O-CB 3.24Å; Q283-A287 WeakPolarHBondContact O-CB 3.19Å; Q283-A287 PolarHBondContact O-N 3Å; Q283-I297 HydrophobicContact CB-CG2 3.77Å; Q283-I297 HydrophobicContact CG-CG2 3.58Å; Q283-F301 HydrophobicContact CG-CD2 3.75Å; Q283-F301 HydrophobicContact CG-CE2 4.23Å; Q283-F301 HydrophobicContact CG-CG 4.4Å
284	E	79.1	Confident	76.8	Confident	103 Å²	103	58.1 Å²	58.1	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-67.8	-44.3	176.1	-163.4	-172.4	160.3	0	0	112.1	A280 V281 L282 A287 K288	A280-E284 PolarHBondContact O-N 2.91Å; A280-E284 VanDerWaalsContact O-N 3.17Å; V281-E284 PolarHBondContact O-N 3.31Å; L282-E284 VanDerWaalsContact C-N 3.27Å; L282-E284 PolarHBondContact O-N 3.49Å; E284-A287 PolarHBondContact O-N 3.44Å; E284-K288 HydrophobicContact CG-CD 4.42Å; E284-K288 WeakPolarHBondContact O-CB 3.35Å; E284-K288 VanDerWaalsContact O-CG 3.3Å; E284-K288 WeakPolarHBondContact O-CG 3.35Å; E284-K288 PolarHBondContact O-N 2.99Å; E284-K288 WeakPolarHBondContact OE1-CE 3.17Å; E284-K288 IonicContact OE1-NZ 2.67Å; E284-K288 PolarHBondContact OE1-NZ 2.89Å
285	S	77.1	Confident	76	Confident	17 Å²	17	56.4 Å²	56.4	12%	0.119	32%	0.315	C	S	.	.	H	α-helix	trans	-62	-45.5	175.9	-73.4	0	0	0	0	111.7	E264 V281 L282 A287 K288 L289	E264-S285 PolarHBondContact OE2-OG 3.2Å; V281-S285 PolarHBondContact O-N 2.93Å; V281-S285 PolarHBondContact O-OG 3.48Å; L282-S285 PolarHBondContact O-N 3.35Å; S285-A287 VanDerWaalsContact C-N 3.35Å; S285-A287 PolarHBondContact O-N 3.14Å; S285-K288 PolarHBondContact O-N 3.02Å; S285-L289 WeakPolarHBondContact O-CB 3.47Å; S285-L289 VanDerWaalsContact O-CG 3.26Å; S285-L289 WeakPolarHBondContact O-CG 3.33Å; S285-L289 PolarHBondContact O-N 3.3Å
286	V	73.4	Confident	75	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.012	33%	0.332	C	S	.	.	H	α-helix	trans	-63	-40.3	176.6	174.1	0	0	0	0	110.9	F257 L282 L289 G290 I291 I297 W300	F257-V286 HydrophobicContact CZ-CG2 4.24Å; L282-V286 HydrophobicContact CD1-CG2 4.16Å; L282-V286 HydrophobicContact CG-CG2 4.34Å; L282-V286 WeakPolarHBondContact O-CB 3.31Å; L282-V286 WeakPolarHBondContact O-CG2 3.32Å; L282-V286 PolarHBondContact O-N 3.08Å; V286-L289 PolarHBondContact O-N 3.07Å; V286-G290 PolarHBondContact O-N 3.3Å; V286-I291 HydrophobicContact CG1-CB 3.65Å; V286-I291 HydrophobicContact CG1-CD1 4.16Å; V286-I291 HydrophobicContact CG1-CG1 4.02Å; V286-I291 HydrophobicContact CG1-CG2 4.06Å; V286-I291 HydrophobicContact CG2-CD1 4.48Å; V286-I291 WeakPolarHBondContact O-CG1 3.28Å; V286-I291 PolarHBondContact O-N 2.99Å; V286-I297 HydrophobicContact CB-CD1 4.19Å; V286-I297 HydrophobicContact CG1-CD1 3.68Å; V286-I297 HydrophobicContact CG1-CG1 3.82Å; V286-W300 HydrophobicContact CG1-CZ3 4.37Å
287	A	74.2	Confident	74	Confident	39 Å²	39	55.6 Å²	55.6	32%	0.322	31%	0.312	S	S	.	.	H	α-helix	trans	-66.6	-41.2	174.9	0	0	0	0	0	112.4	Q283 E284 S285 L289 G290 I297	Q283-A287 VanDerWaalsContact O-CB 3.24Å; Q283-A287 WeakPolarHBondContact O-CB 3.19Å; Q283-A287 PolarHBondContact O-N 3Å; E284-A287 PolarHBondContact O-N 3.44Å; S285-A287 VanDerWaalsContact C-N 3.35Å; S285-A287 PolarHBondContact O-N 3.14Å; A287-L289 VanDerWaalsContact C-N 3.3Å; A287-L289 PolarHBondContact O-N 2.65Å; A287-G290 PolarHBondContact O-N 3.37Å; A287-G290 VanDerWaalsContact O-N 3.07Å; A287-I297 HydrophobicContact CB-CD1 3.83Å
288	K	75.4	Confident	73.1	Confident	148 Å²	148	61.4 Å²	61.4	64%	0.643	34%	0.339	S	S	*	.	H	α-helix	trans	-62.5	-37	176.1	-79.5	171.9	-177.6	162.7	0	112.5	E284 S285 G290	E284-K288 HydrophobicContact CG-CD 4.42Å; E284-K288 WeakPolarHBondContact O-CB 3.35Å; E284-K288 VanDerWaalsContact O-CG 3.3Å; E284-K288 WeakPolarHBondContact O-CG 3.35Å; E284-K288 PolarHBondContact O-N 2.99Å; E284-K288 WeakPolarHBondContact OE1-CE 3.17Å; E284-K288 IonicContact OE1-NZ 2.67Å; E284-K288 PolarHBondContact OE1-NZ 2.89Å; S285-K288 PolarHBondContact O-N 3.02Å; K288-G290 PolarHBondContact O-N 2.91Å
289	L	70.1	Confident	72.3	Confident	72 Å²	72	62.5 Å²	62.5	38%	0.377	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-10.1	176.5	-71.6	170.1	0	0	0	112.6	F257 S285 V286 A287 I291 L341	F257-L289 HydrophobicContact CE2-CD1 4.01Å; F257-L289 HydrophobicContact CZ-CD1 4.18Å; S285-L289 WeakPolarHBondContact O-CB 3.47Å; S285-L289 VanDerWaalsContact O-CG 3.26Å; S285-L289 WeakPolarHBondContact O-CG 3.33Å; S285-L289 PolarHBondContact O-N 3.3Å; V286-L289 PolarHBondContact O-N 3.07Å; A287-L289 VanDerWaalsContact C-N 3.3Å; A287-L289 PolarHBondContact O-N 2.65Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 HydrophobicContact CB-CD1 3.88Å; L289-I291 HydrophobicContact CB-CG1 3.52Å; L289-I291 HydrophobicContact CD1-CD1 3.94Å; L289-I291 PolarHBondContact O-N 3.33Å; L289-L341 VanDerWaalsContact O-CD1 3.3Å; L289-L341 WeakPolarHBondContact O-CD1 3.44Å
290	G	65.2	Low	71.5	Confident	53 Å²	53	63.6 Å²	63.6	55%	0.546	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	23.4	179.4	0	0	0	0	0	113.7	V286 A287 K288 L341	V286-G290 PolarHBondContact O-N 3.3Å; A287-G290 PolarHBondContact O-N 3.37Å; A287-G290 VanDerWaalsContact O-N 3.07Å; K288-G290 PolarHBondContact O-N 2.91Å; G290-L341 VanDerWaalsContact C-CD1 3.46Å; G290-L341 WeakPolarHBondContact O-CD1 3.34Å
291	I	61.9	Low	70.9	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.087	33%	0.326	C	S	.	.	S	Bend	trans	-66.1	-43	-173.3	-51.7	-155.4	0	0	0	111.8	F257 V286 L289 W300 V332 P334 L341	F257-I291 HydrophobicContact CE1-CD1 4.04Å; F257-I291 HydrophobicContact CZ-CD1 3.66Å; V286-I291 HydrophobicContact CG1-CB 3.65Å; V286-I291 HydrophobicContact CG1-CD1 4.16Å; V286-I291 HydrophobicContact CG1-CG1 4.02Å; V286-I291 HydrophobicContact CG1-CG2 4.06Å; V286-I291 HydrophobicContact CG2-CD1 4.48Å; V286-I291 WeakPolarHBondContact O-CG1 3.28Å; V286-I291 PolarHBondContact O-N 2.99Å; L289-I291 VanDerWaalsContact C-N 3.29Å; L289-I291 HydrophobicContact CB-CD1 3.88Å; L289-I291 HydrophobicContact CB-CG1 3.52Å; L289-I291 HydrophobicContact CD1-CD1 3.94Å; L289-I291 PolarHBondContact O-N 3.33Å; I291-W300 HydrophobicContact CG2-CH2 4.04Å; I291-W300 HydrophobicContact CG2-CZ3 4.09Å; I291-V332 HydrophobicContact CG2-CG2 3.44Å; I291-V332 VanDerWaalsContact CG2-CG2 3.44Å; I291-P334 HydrophobicContact CD1-CG 4.43Å; I291-L341 HydrophobicContact CB-CD1 4.21Å; I291-L341 HydrophobicContact CB-CD2 4.01Å; I291-L341 HydrophobicContact CD1-CD2 3.59Å; I291-L341 HydrophobicContact CG1-CD1 3.99Å; I291-L341 HydrophobicContact CG1-CD2 3.41Å; I291-L341 VanDerWaalsContact CG1-CD2 3.41Å; I291-L341 HydrophobicContact CG1-CG 4.26Å; I291-L341 HydrophobicContact CG2-CD2 4.05Å
292	A	61.2	Low	70.1	Confident	16 Å²	16	60.1 Å²	60.1	13%	0.132	32%	0.323	C	S	.	.	S	Bend	trans	-154.3	158.2	-175.3	0	0	0	0	0	109.3	E296 I297 W300	A292-E296 HydrophobicContact CB-CB 3.89Å; A292-I297 HydrophobicContact CB-CD1 4.42Å; A292-I297 HydrophobicContact CB-CG1 3.77Å; A292-I297 WeakPolarHBondContact O-CD1 3.17Å; A292-W300 HydrophobicContact CB-CH2 3.65Å; A292-W300 HydrophobicContact CB-CZ2 3.94Å; A292-W300 HydrophobicContact CB-CZ3 4.1Å
293	S	68.2	Low	69.1	Low	59 Å²	59	64.3 Å²	64.3	41%	0.413	36%	0.358	S	S	.	.			trans	-65	155.5	171.5	66.2	0	0	0	0	110.5	A295 E296 I297	S293-A295 PolarHBondContact O-N 2.75Å; S293-A295 VanDerWaalsContact O-N 3.13Å; S293-E296 WeakPolarHBondContact CB-OE2 3.18Å; S293-E296 PolarHBondContact N-OE2 3.27Å; S293-E296 PolarHBondContact O-N 2.92Å; S293-E296 VanDerWaalsContact OG-CD 3.29Å; S293-E296 VanDerWaalsContact OG-CG 3.29Å; S293-E296 WeakPolarHBondContact OG-CG 3.35Å; S293-E296 PolarHBondContact OG-N 3.2Å; S293-E296 PolarHBondContact OG-OE2 3Å; S293-I297 WeakPolarHBondContact O-CG1 3.31Å; S293-I297 PolarHBondContact O-N 3.08Å
294	R	68.6	Low	68.2	Low	196 Å²	196	70.7 Å²	70.7	74%	0.74	39%	0.387	S	S	*	.	H	α-helix	trans	-52.7	-37.4	177.5	-116.4	176.9	-178.8	165.1	-0.7	112.9	I297 E298	R294-I297 PolarHBondContact O-N 3.45Å; R294-E298 WeakPolarHBondContact O-CG 3.27Å; R294-E298 PolarHBondContact O-N 2.96Å
295	A	68	Low	67.2	Low	71 Å²	71	67.5 Å²	67.5	59%	0.587	38%	0.375	S	S	*	.	H	α-helix	trans	-68.3	-38.8	177.4	0	0	0	0	0	112.9	S293 D299	S293-A295 PolarHBondContact O-N 2.75Å; S293-A295 VanDerWaalsContact O-N 3.13Å; A295-D299 PolarHBondContact O-N 3.3Å
296	E	66	Low	66.4	Low	81 Å²	81	67.9 Å²	67.9	38%	0.379	38%	0.375	S	S	.	.	H	α-helix	trans	-69.7	-37.9	174.9	-73.3	163.9	145.6	0	0	111.6	A292 S293 D299 W300	A292-E296 HydrophobicContact CB-CB 3.89Å; S293-E296 WeakPolarHBondContact CB-OE2 3.18Å; S293-E296 PolarHBondContact N-OE2 3.27Å; S293-E296 PolarHBondContact O-N 2.92Å; S293-E296 VanDerWaalsContact OG-CD 3.29Å; S293-E296 VanDerWaalsContact OG-CG 3.29Å; S293-E296 WeakPolarHBondContact OG-CG 3.35Å; S293-E296 PolarHBondContact OG-N 3.2Å; S293-E296 PolarHBondContact OG-OE2 3Å; E296-D299 PolarHBondContact O-N 3.07Å; E296-W300 VanDerWaalsContact O-CG 3.29Å; E296-W300 PolarHBondContact O-N 3.08Å; E296-W300 VanDerWaalsContact O-N 3.08Å
297	I	66.5	Low	65.6	Low	4 Å²	4	70 Å²	70	2%	0.021	40%	0.398	C	S	.	.	H	α-helix	trans	-63.4	-45.4	175.6	-66.5	171.3	0	0	0	110.4	Q283 V286 A287 A292 S293 R294 D299 W300 F301	Q283-I297 HydrophobicContact CB-CG2 3.77Å; Q283-I297 HydrophobicContact CG-CG2 3.58Å; V286-I297 HydrophobicContact CB-CD1 4.19Å; V286-I297 HydrophobicContact CG1-CD1 3.68Å; V286-I297 HydrophobicContact CG1-CG1 3.82Å; A287-I297 HydrophobicContact CB-CD1 3.83Å; A292-I297 HydrophobicContact CB-CD1 4.42Å; A292-I297 HydrophobicContact CB-CG1 3.77Å; A292-I297 WeakPolarHBondContact O-CD1 3.17Å; S293-I297 WeakPolarHBondContact O-CG1 3.31Å; S293-I297 PolarHBondContact O-N 3.08Å; R294-I297 PolarHBondContact O-N 3.45Å; I297-D299 VanDerWaalsContact C-N 3.27Å; I297-D299 PolarHBondContact O-N 2.85Å; I297-W300 PolarHBondContact O-N 2.95Å; I297-F301 HydrophobicContact CG2-CD2 3.88Å; I297-F301 HydrophobicContact CG2-CE2 4.02Å; I297-F301 WeakPolarHBondContact O-CD2 3.39Å; I297-F301 PolarHBondContact O-N 3.33Å
298	E	68.8	Low	64.7	Low	122 Å²	122	75.8 Å²	75.8	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-61.4	-34.6	176.3	-76	170.7	-170.3	0	0	112.4	R294 F301	R294-E298 WeakPolarHBondContact O-CG 3.27Å; R294-E298 PolarHBondContact O-N 2.96Å; E298-F301 CarbonylContact O-C 3.49Å; E298-F301 PolarHBondContact O-N 3.37Å
299	D	69	Low	64.1	Low	119 Å²	119	72.7 Å²	72.7	64%	0.636	43%	0.426	S	S	*	.	H	α-helix	trans	-72.1	-28.4	175.7	-168.5	63.3	0	0	0	113.2	A295 E296 I297 T302	A295-D299 PolarHBondContact O-N 3.3Å; E296-D299 PolarHBondContact O-N 3.07Å; I297-D299 VanDerWaalsContact C-N 3.27Å; I297-D299 PolarHBondContact O-N 2.85Å; D299-T302 VanDerWaalsContact O-CG2 3.25Å; D299-T302 WeakPolarHBondContact O-CG2 3.46Å
300	W	66	Low	64.4	Low	30 Å²	30	71 Å²	71	11%	0.114	43%	0.426	C	S	.	.	H	α-helix	trans	-72.5	-34.4	175	-64.6	-3.1	0	0	0	112.1	V286 I291 A292 E296 I297 T305 L320	V286-W300 HydrophobicContact CG1-CZ3 4.37Å; I291-W300 HydrophobicContact CG2-CH2 4.04Å; I291-W300 HydrophobicContact CG2-CZ3 4.09Å; A292-W300 HydrophobicContact CB-CH2 3.65Å; A292-W300 HydrophobicContact CB-CZ2 3.94Å; A292-W300 HydrophobicContact CB-CZ3 4.1Å; E296-W300 VanDerWaalsContact O-CG 3.29Å; E296-W300 PolarHBondContact O-N 3.08Å; E296-W300 VanDerWaalsContact O-N 3.08Å; I297-W300 PolarHBondContact O-N 2.95Å; W300-T305 PolarHBondContact O-OG1 2.99Å; W300-T305 VanDerWaalsContact O-OG1 3.12Å; W300-L320 WeakPolarHBondContact O-CD2 3.42Å
301	F	68.8	Low	65.3	Low	10 Å²	10	69.4 Å²	69.4	4%	0.044	41%	0.406	C	S	.	.	S	Bend	trans	-108.2	63.2	-174.8	-60.7	-68.4	0	0	0	110.4	V279 L282 Q283 I297 E298 L306 M312 W317 L320	V279-F301 HydrophobicContact CG1-CB 4.04Å; V279-F301 HydrophobicContact CG1-CD1 4.22Å; V279-F301 HydrophobicContact CG1-CG 4.11Å; L282-F301 HydrophobicContact CD2-CE1 3.55Å; L282-F301 HydrophobicContact CD2-CE2 4.47Å; L282-F301 HydrophobicContact CD2-CZ 3.51Å; L282-F301 HydrophobicContact CG-CE1 4.49Å; L282-F301 HydrophobicContact CG-CZ 4Å; Q283-F301 HydrophobicContact CG-CD2 3.75Å; Q283-F301 HydrophobicContact CG-CE2 4.23Å; Q283-F301 HydrophobicContact CG-CG 4.4Å; I297-F301 HydrophobicContact CG2-CD2 3.88Å; I297-F301 HydrophobicContact CG2-CE2 4.02Å; I297-F301 WeakPolarHBondContact O-CD2 3.39Å; I297-F301 PolarHBondContact O-N 3.33Å; E298-F301 CarbonylContact O-C 3.49Å; E298-F301 PolarHBondContact O-N 3.37Å; F301-L306 HydrophobicContact CB-CD1 4.01Å; F301-L306 HydrophobicContact CB-CD2 4.11Å; F301-L306 HydrophobicContact CB-CG 4.22Å; F301-L306 HydrophobicContact CD1-CD2 4.07Å; F301-L306 WeakPolarHBondContact O-CD1 3.49Å; F301-M312 HydrophobicContact CD1-CE 3.41Å; F301-M312 VanDerWaalsContact CD1-CE 3.41Å; F301-M312 HydrophobicContact CD1-SD 4.22Å; F301-M312 HydrophobicContact CE1-CE 3.5Å; F301-M312 VanDerWaalsContact CE1-CE 3.5Å; F301-M312 HydrophobicContact CE1-SD 3.7Å; F301-W317 HydrophobicContact CE1-CZ3 4.36Å; F301-W317 HydrophobicContact CZ-CZ3 4.1Å; F301-L320 HydrophobicContact CE1-CD1 4.06Å
302	T	66.6	Low	66.3	Low	48 Å²	48	68.6 Å²	68.6	29%	0.294	40%	0.402	S	S	.	.			trans	-78.3	163	175.8	68.6	0	0	0	0	112.1	D299 E304 T305 L306	D299-T302 VanDerWaalsContact O-CG2 3.25Å; D299-T302 WeakPolarHBondContact O-CG2 3.46Å; T302-E304 PolarHBondContact O-N 3.44Å; T302-E304 VanDerWaalsContact O-N 3.1Å; T302-E304 PolarHBondContact OG1-N 3.2Å; T302-T305 PolarHBondContact N-OG1 3.28Å; T302-T305 PolarHBondContact O-N 2.93Å; T302-T305 PolarHBondContact O-OG1 3.23Å; T302-T305 VanDerWaalsContact O-OG1 3.1Å; T302-T305 PolarHBondContact OG1-N 3.13Å; T302-T305 PolarHBondContact OG1-OG1 3Å; T302-L306 WeakPolarHBondContact O-CB 3.29Å; T302-L306 WeakPolarHBondContact O-CG 3.42Å; T302-L306 PolarHBondContact O-N 3.46Å
303	A	58.6	Low	67.6	Low	89 Å²	89	68.3 Å²	68.3	74%	0.736	40%	0.398	S	S	*	.	H	α-helix	trans	-57.7	-23.8	173.5	0	0	0	0	0	113.4
304	E	59.2	Low	68.4	Low	189 Å²	189	65.6 Å²	65.6	88%	0.883	38%	0.379	S	S	*	.	H	α-helix	trans	-75.8	-31.9	175.5	-68.2	179.8	167.5	0	0	112.4	T302	T302-E304 PolarHBondContact O-N 3.44Å; T302-E304 VanDerWaalsContact O-N 3.1Å; T302-E304 PolarHBondContact OG1-N 3.2Å
305	T	59.5	Low	69.2	Low	36 Å²	36	56.9 Å²	56.9	22%	0.221	35%	0.347	C	S	.	.	H	α-helix	trans	-90.2	-19.5	178.5	43.7	0	0	0	0	114.2	W300 T302 L320	W300-T305 PolarHBondContact O-OG1 2.99Å; W300-T305 VanDerWaalsContact O-OG1 3.12Å; T302-T305 PolarHBondContact N-OG1 3.28Å; T302-T305 PolarHBondContact O-N 2.93Å; T302-T305 PolarHBondContact O-OG1 3.23Å; T302-T305 VanDerWaalsContact O-OG1 3.1Å; T302-T305 PolarHBondContact OG1-N 3.13Å; T302-T305 PolarHBondContact OG1-OG1 3Å; T305-L320 HydrophobicContact CG2-CD2 4.08Å
306	L	59.6	Low	69.8	Low	24 Å²	24	55.5 Å²	55.5	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-95.1	-13	-171.8	-71	174.1	0	0	0	115.8	V279 F301 T302 M312	V279-L306 HydrophobicContact CB-CD2 3.86Å; V279-L306 HydrophobicContact CG1-CD1 4.06Å; V279-L306 HydrophobicContact CG1-CD2 3.5Å; V279-L306 VanDerWaalsContact CG1-CD2 3.5Å; V279-L306 HydrophobicContact CG1-CG 4.44Å; V279-L306 HydrophobicContact CG2-CD2 3.2Å; F301-L306 HydrophobicContact CB-CD1 4.01Å; F301-L306 HydrophobicContact CB-CD2 4.11Å; F301-L306 HydrophobicContact CB-CG 4.22Å; F301-L306 HydrophobicContact CD1-CD2 4.07Å; F301-L306 WeakPolarHBondContact O-CD1 3.49Å; T302-L306 WeakPolarHBondContact O-CB 3.29Å; T302-L306 WeakPolarHBondContact O-CG 3.42Å; T302-L306 PolarHBondContact O-N 3.46Å; L306-M312 HydrophobicContact CD2-CE 3.9Å
307	G	55.6	Low	70.4	Confident	48 Å²	48	51.8 Å²	51.8	50%	0.495	31%	0.312	S	S	.	.			trans	57.4	-174	-165.3	0	0	0	0	0	112.6	S309	G307-S309 VanDerWaalsContact C-N 3.31Å; G307-S309 PolarHBondContact O-N 3.43Å
308	V	55.8	Low	71.1	Confident	160 Å²	160	53.2 Å²	53.2	97%	0.97	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-8.1	-171.7	-162.4	0	0	0	0	112.6
309	S	64.1	Low	71.3	Confident	82 Å²	82	49.5 Å²	49.5	57%	0.573	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.7	-166.9	62.2	0	0	0	0	115.9	G307 T311	G307-S309 VanDerWaalsContact C-N 3.31Å; G307-S309 PolarHBondContact O-N 3.43Å; S309-T311 PolarHBondContact O-N 3.19Å; S309-T311 PolarHBondContact OG-OG1 2.94Å
310	G	75	Confident	71.3	Confident	36 Å²	36	44.2 Å²	44.2	37%	0.371	28%	0.281	S	S	.	.	S	Bend	trans	70.1	8.2	-176.9	0	0	0	0	0	114.6	V279	V279-G310 WeakPolarHBondContact CB-O 3.34Å; V279-G310 WeakPolarHBondContact CG2-O 3.33Å; V279-G310 PolarHBondContact N-O 3.4Å
311	T	83.5	Confident	71.2	Confident	21 Å²	21	43.6 Å²	43.6	13%	0.129	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	145.5	-179.9	61.6	0	0	0	0	110	L277 E278 S309	L277-T311 CarbonylContact O-C 3.52Å; L277-T311 VanDerWaalsContact O-CA 3.25Å; L277-T311 WeakPolarHBondContact O-CA 3.15Å; E278-T311 WeakPolarHBondContact OE1-CG2 3.5Å; S309-T311 PolarHBondContact O-N 3.19Å; S309-T311 PolarHBondContact OG-OG1 2.94Å
312	M	84.3	Confident	70.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.8	179.5	178.6	173.8	-78	0	0	111	L277 V279 L282 F301 L306 D316 W317 L320	L277-M312 PolarHBondContact N-O 2.72Å; L277-M312 PolarHBondContact O-N 2.74Å; V279-M312 HydrophobicContact CG2-CB 3.79Å; L282-M312 HydrophobicContact CD2-SD 4.31Å; F301-M312 HydrophobicContact CD1-CE 3.41Å; F301-M312 VanDerWaalsContact CD1-CE 3.41Å; F301-M312 HydrophobicContact CD1-SD 4.22Å; F301-M312 HydrophobicContact CE1-CE 3.5Å; F301-M312 VanDerWaalsContact CE1-CE 3.5Å; F301-M312 HydrophobicContact CE1-SD 3.7Å; L306-M312 HydrophobicContact CD2-CE 3.9Å; M312-D316 HydrophobicContact CE-CB 4.43Å; M312-D316 HydrophobicContact CG-CB 3.67Å; M312-W317 HydrophobicContact CG-CB 4.34Å; M312-W317 HydrophobicContact SD-CB 4.01Å; M312-W317 HydrophobicContact SD-CE3 3.69Å; M312-L320 HydrophobicContact CE-CD1 4.23Å; M312-L320 HydrophobicContact SD-CD1 4.25Å
313	D	87.7	Confident	69.5	Low	9 Å²	9	47 Å²	47	5%	0.048	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-178.5	170.1	70	36.9	0	0	0	112.9	K276 L315 D316 W317 R432	K276-D313 HydrophobicContact CG-CB 4.46Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 3.34Å; D313-L315 WeakPolarHBondContact OD1-CA 3.46Å; D313-L315 WeakPolarHBondContact OD1-CB 3.44Å; D313-L315 PolarHBondContact OD1-N 2.69Å; D313-D316 PolarHBondContact N-OD2 2.85Å; D313-D316 PolarHBondContact O-N 2.8Å; D313-D316 PolarHBondContact OD1-N 3.27Å; D313-D316 VanDerWaalsContact OD1-N 3.1Å; D313-W317 WeakPolarHBondContact O-CB 3.3Å; D313-W317 PolarHBondContact O-N 3.46Å; D313-R432 VanDerWaalsContact CG-NH1 3.33Å; D313-R432 IonicContact OD1-NH1 2.67Å; D313-R432 PolarHBondContact OD1-NH1 2.86Å; D313-R432 IonicContact OD2-CZ 2.88Å; D313-R432 IonicContact OD2-NH1 3.64Å; D313-R432 PolarHBondContact OD2-NH1 2.8Å; D313-R432 IonicContact OD2-NH2 3.71Å; D313-R432 PolarHBondContact OD2-NH2 2.94Å
314	L	85.3	Confident	68.6	Low	3 Å²	3	51.3 Å²	51.3	2%	0.016	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-27.4	-176	-177.5	58.7	0	0	0	113.1	R255 F258 A272 S318 L425	R255-L314 HydrophobicContact CG-CD1 4.24Å; R255-L314 HydrophobicContact CG-CD2 4.41Å; F258-L314 HydrophobicContact CB-CD1 4Å; F258-L314 HydrophobicContact CD1-CB 4.19Å; F258-L314 HydrophobicContact CD1-CD1 3.68Å; F258-L314 HydrophobicContact CD1-CG 4.4Å; F258-L314 HydrophobicContact CD2-CD1 4.27Å; F258-L314 HydrophobicContact CE1-CB 3.8Å; F258-L314 HydrophobicContact CE1-CD1 4.19Å; F258-L314 HydrophobicContact CE1-CG 4.48Å; F258-L314 HydrophobicContact CE2-CB 4.44Å; F258-L314 HydrophobicContact CG-CD1 3.72Å; F258-L314 HydrophobicContact CZ-CB 3.95Å; A272-L314 HydrophobicContact CB-CD2 4.26Å; L314-S318 VanDerWaalsContact O-CB 3.27Å; L314-S318 WeakPolarHBondContact O-CB 3.36Å; L314-S318 PolarHBondContact O-N 3.31Å; L314-S318 PolarHBondContact O-OG 2.99Å; L314-L425 HydrophobicContact CB-CD2 4.18Å; L314-L425 HydrophobicContact CD2-CD1 3.67Å; L314-L425 HydrophobicContact CD2-CD2 3.98Å; L314-L425 HydrophobicContact CG-CD2 4.29Å
315	L	85.3	Confident	67.7	Low	13 Å²	13	45.3 Å²	45.3	7%	0.068	28%	0.279	C	S	.	.	H	α-helix	trans	-74.9	-45.1	178.6	-65.2	-179.3	0	0	0	110.7	M273 D313 W317 S318 S319 L425 E428 L429	M273-L315 HydrophobicContact CE-CD1 4.21Å; M273-L315 HydrophobicContact CE-CG 4.39Å; D313-L315 VanDerWaalsContact C-N 3.26Å; D313-L315 PolarHBondContact O-N 3.34Å; D313-L315 WeakPolarHBondContact OD1-CA 3.46Å; D313-L315 WeakPolarHBondContact OD1-CB 3.44Å; D313-L315 PolarHBondContact OD1-N 2.69Å; L315-W317 VanDerWaalsContact C-N 3.29Å; L315-W317 PolarHBondContact O-N 3.15Å; L315-S318 CarbonylContact O-C 3.48Å; L315-S318 PolarHBondContact O-N 3.09Å; L315-S318 VanDerWaalsContact O-N 3.14Å; L315-S319 PolarHBondContact O-N 2.86Å; L315-L425 HydrophobicContact CD2-CB 4.15Å; L315-L425 HydrophobicContact CD2-CD2 3.76Å; L315-L425 HydrophobicContact CG-CD2 3.99Å; L315-E428 HydrophobicContact CD1-CB 3.91Å; L315-E428 HydrophobicContact CD1-CG 3.49Å; L315-E428 VanDerWaalsContact CD1-CG 3.49Å; L315-L429 HydrophobicContact CD1-CB 4.08Å; L315-L429 HydrophobicContact CD2-CB 4Å; L315-L429 HydrophobicContact CD2-CD1 4.41Å
316	D	80.9	Confident	66.8	Low	41 Å²	41	51.9 Å²	51.9	22%	0.219	30%	0.304	C	S	.	.	H	α-helix	trans	-58.6	-45.5	173.5	-58.2	-31	0	0	0	109.9	M312 D313 S318 S319 R432	M312-D316 HydrophobicContact CE-CB 4.43Å; M312-D316 HydrophobicContact CG-CB 3.67Å; D313-D316 PolarHBondContact N-OD2 2.85Å; D313-D316 PolarHBondContact O-N 2.8Å; D313-D316 PolarHBondContact OD1-N 3.27Å; D313-D316 VanDerWaalsContact OD1-N 3.1Å; D316-S318 VanDerWaalsContact C-N 3.34Å; D316-S318 PolarHBondContact O-N 3.49Å; D316-S319 WeakPolarHBondContact O-CB 3.05Å; D316-S319 PolarHBondContact O-N 3.02Å; D316-S319 VanDerWaalsContact O-N 3.13Å; D316-S319 PolarHBondContact O-OG 3.33Å; D316-R432 IonicContact OD1-NH1 3.63Å
317	W	79.4	Confident	66	Low	3 Å²	3	52 Å²	52	1%	0.011	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-40.6	174	179.2	-101.4	0	0	0	113.2	W254 F257 F258 L282 F301 M312 D313 L315 S319 L320	W254-W317 AromaticContact CD1-CD1 3.42Å; W254-W317 VanDerWaalsContact CD1-CD1 3.42Å; W254-W317 AromaticContact CD1-NE1 3.15Å; W254-W317 AromaticContact CD2-CE2 3.72Å; W254-W317 AromaticContact CD2-CZ2 3.72Å; W254-W317 HydrophobicContact CD2-CZ2 3.72Å; W254-W317 AromaticContact CD2-NE1 3.48Å; W254-W317 AromaticContact CE2-CD1 3.83Å; W254-W317 AromaticContact CE2-CD2 3.9Å; W254-W317 AromaticContact CE2-CE2 3.22Å; W254-W317 AromaticContact CE2-CZ2 3.46Å; W254-W317 VanDerWaalsContact CE2-CZ2 3.46Å; W254-W317 AromaticContact CE2-NE1 3.19Å; W254-W317 AromaticContact CE3-CZ2 3.82Å; W254-W317 HydrophobicContact CE3-CZ2 3.82Å; W254-W317 AromaticContact CG-NE1 3.49Å; W254-W317 AromaticContact CH2-CH2 3.53Å; W254-W317 HydrophobicContact CH2-CH2 3.53Å; W254-W317 AromaticContact CH2-CZ2 3.41Å; W254-W317 HydrophobicContact CH2-CZ2 3.41Å; W254-W317 VanDerWaalsContact CH2-CZ2 3.41Å; W254-W317 HydrophobicContact CH2-CZ3 4.23Å; W254-W317 AromaticContact CZ2-CD2 3.84Å; W254-W317 HydrophobicContact CZ2-CD2 3.84Å; W254-W317 AromaticContact CZ2-CE2 3.38Å; W254-W317 HydrophobicContact CZ2-CE3 4.15Å; W254-W317 AromaticContact CZ2-CH2 3.67Å; W254-W317 HydrophobicContact CZ2-CH2 3.67Å; W254-W317 AromaticContact CZ2-CZ2 3.3Å; W254-W317 HydrophobicContact CZ2-CZ2 3.3Å; W254-W317 HydrophobicContact CZ2-CZ3 4.06Å; W254-W317 AromaticContact CZ2-NE1 3.87Å; W254-W317 HydrophobicContact CZ3-CH2 4.07Å; W254-W317 AromaticContact CZ3-CZ2 3.67Å; W254-W317 HydrophobicContact CZ3-CZ2 3.67Å; W254-W317 AromaticContact NE1-CD1 3.16Å; W254-W317 AromaticContact NE1-CD2 3.9Å; W254-W317 AromaticContact NE1-CE2 3.46Å; W254-W317 AromaticContact NE1-CG 3.75Å; W254-W317 AromaticContact NE1-NE1 2.97Å; W254-W317 PolarHBondContact NE1-O 3.13Å; W254-W317 PolarHBondContact O-NE1 3.4Å; F257-W317 AromaticContact CD1-CH2 3.69Å; F257-W317 HydrophobicContact CD1-CH2 3.69Å; F257-W317 AromaticContact CD1-CZ2 3.45Å; F257-W317 HydrophobicContact CD1-CZ2 3.45Å; F257-W317 VanDerWaalsContact CD1-CZ2 3.45Å; F257-W317 AromaticContact CE1-CH2 3.64Å; F257-W317 HydrophobicContact CE1-CH2 3.64Å; F257-W317 AromaticContact CE1-CZ2 3.93Å; F257-W317 HydrophobicContact CE1-CZ2 3.93Å; F257-W317 HydrophobicContact CG-CZ2 4.28Å; F258-W317 HydrophobicContact CB-CD2 4.38Å; F258-W317 HydrophobicContact CB-CG 4.17Å; F258-W317 HydrophobicContact CD2-CB 3.7Å; F258-W317 AromaticContact CD2-CD1 3.88Å; F258-W317 AromaticContact CD2-CD2 3.92Å; F258-W317 HydrophobicContact CD2-CD2 3.92Å; F258-W317 AromaticContact CD2-CG 3.55Å; F258-W317 HydrophobicContact CD2-CG 3.55Å; F258-W317 HydrophobicContact CE2-CB 4.04Å; F258-W317 HydrophobicContact CE2-CG 4.37Å; F258-W317 HydrophobicContact CG-CG 4.22Å; L282-W317 HydrophobicContact CD1-CZ3 4.29Å; L282-W317 HydrophobicContact CD2-CE3 4.23Å; L282-W317 HydrophobicContact CD2-CZ3 3.88Å; F301-W317 HydrophobicContact CE1-CZ3 4.36Å; F301-W317 HydrophobicContact CZ-CZ3 4.1Å; M312-W317 HydrophobicContact CG-CB 4.34Å; M312-W317 HydrophobicContact SD-CB 4.01Å; M312-W317 HydrophobicContact SD-CE3 3.69Å; D313-W317 WeakPolarHBondContact O-CB 3.3Å; D313-W317 PolarHBondContact O-N 3.46Å; L315-W317 VanDerWaalsContact C-N 3.29Å; L315-W317 PolarHBondContact O-N 3.15Å; W317-S319 VanDerWaalsContact C-N 3.28Å; W317-S319 PolarHBondContact O-N 3.41Å; W317-L320 HydrophobicContact CD2-CD1 4.49Å; W317-L320 HydrophobicContact CE3-CD1 3.9Å; W317-L320 HydrophobicContact CZ3-CD1 4.26Å; W317-L320 WeakPolarHBondContact O-CB 3.35Å; W317-L320 PolarHBondContact O-N 2.93Å
318	S	79.9	Confident	65.4	Low	34 Å²	34	53.4 Å²	53.4	24%	0.238	31%	0.307	C	S	.	.	H	α-helix	trans	-72.9	-21.1	177.8	-61.1	0	0	0	0	112.9	L314 L315 D316 L320 I321 R392	L314-S318 VanDerWaalsContact O-CB 3.27Å; L314-S318 WeakPolarHBondContact O-CB 3.36Å; L314-S318 PolarHBondContact O-N 3.31Å; L314-S318 PolarHBondContact O-OG 2.99Å; L315-S318 CarbonylContact O-C 3.48Å; L315-S318 PolarHBondContact O-N 3.09Å; L315-S318 VanDerWaalsContact O-N 3.14Å; D316-S318 VanDerWaalsContact C-N 3.34Å; D316-S318 PolarHBondContact O-N 3.49Å; S318-L320 VanDerWaalsContact C-N 3.27Å; S318-I321 PolarHBondContact O-N 3.38Å; S318-R392 PolarHBondContact O-NH2 3.48Å
319	S	74.2	Confident	64.8	Low	44 Å²	44	54 Å²	54	31%	0.308	30%	0.297	S	S	.	.	H	α-helix	trans	-70.6	-23.7	174	83.5	0	0	0	0	112.4	L315 D316 W317 I321 D322	L315-S319 PolarHBondContact O-N 2.86Å; D316-S319 WeakPolarHBondContact O-CB 3.05Å; D316-S319 PolarHBondContact O-N 3.02Å; D316-S319 VanDerWaalsContact O-N 3.13Å; D316-S319 PolarHBondContact O-OG 3.33Å; W317-S319 VanDerWaalsContact C-N 3.28Å; W317-S319 PolarHBondContact O-N 3.41Å; S319-I321 PolarHBondContact O-N 3.42Å; S319-D322 VanDerWaalsContact O-CB 3.22Å; S319-D322 WeakPolarHBondContact O-CB 3.44Å; S319-D322 PolarHBondContact O-N 2.74Å
320	L	68.1	Low	63.8	Low	9 Å²	9	55 Å²	55	5%	0.047	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.1	175.3	-58.3	177	0	0	0	112.5	W254 W300 F301 T305 M312 W317 S318 D322 L327	W254-L320 HydrophobicContact CZ2-CB 4.13Å; W254-L320 HydrophobicContact CZ2-CD1 4.1Å; W300-L320 WeakPolarHBondContact O-CD2 3.42Å; F301-L320 HydrophobicContact CE1-CD1 4.06Å; T305-L320 HydrophobicContact CG2-CD2 4.08Å; M312-L320 HydrophobicContact CE-CD1 4.23Å; M312-L320 HydrophobicContact SD-CD1 4.25Å; W317-L320 HydrophobicContact CD2-CD1 4.49Å; W317-L320 HydrophobicContact CE3-CD1 3.9Å; W317-L320 HydrophobicContact CZ3-CD1 4.26Å; W317-L320 WeakPolarHBondContact O-CB 3.35Å; W317-L320 PolarHBondContact O-N 2.93Å; S318-L320 VanDerWaalsContact C-N 3.27Å; L320-D322 PolarHBondContact O-N 2.82Å; L320-L327 WeakPolarHBondContact O-CD2 3.36Å
321	I	64.8	Low	62.5	Low	17 Å²	17	53.9 Å²	53.9	9%	0.087	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	19.6	173.3	-61.5	-168.6	0	0	0	111.4	F247 V250 L251 W254 S318 S319 S323 L331 L344	F247-I321 HydrophobicContact CE2-CG2 4.33Å; V250-I321 HydrophobicContact CG1-CD1 4.26Å; L251-I321 HydrophobicContact CD2-CG2 4.35Å; W254-I321 HydrophobicContact CB-CD1 3.65Å; W254-I321 HydrophobicContact CD2-CD1 3.5Å; W254-I321 VanDerWaalsContact CD2-CD1 3.5Å; W254-I321 HydrophobicContact CD2-CG1 4.15Å; W254-I321 HydrophobicContact CE3-CD1 4.24Å; W254-I321 HydrophobicContact CG-CD1 3.19Å; W254-I321 HydrophobicContact CG-CG1 4.14Å; W254-I321 HydrophobicContact CZ2-CG1 4.44Å; S318-I321 PolarHBondContact O-N 3.38Å; S319-I321 PolarHBondContact O-N 3.42Å; I321-S323 PolarHBondContact O-N 2.77Å; I321-L331 HydrophobicContact CD1-CD1 4.44Å; I321-L331 HydrophobicContact CG1-CD1 3.95Å; I321-L331 HydrophobicContact CG1-CD2 4.2Å; I321-L344 HydrophobicContact CD1-CD1 3.79Å
322	D	55.3	Low	61	Low	26 Å²	26	54.3 Å²	54.3	14%	0.139	28%	0.28	C	S	.	.			trans	-66	123.6	177.7	-166.9	-5	0	0	0	111.6	S319 L320 R324 T325	S319-D322 VanDerWaalsContact O-CB 3.22Å; S319-D322 WeakPolarHBondContact O-CB 3.44Å; S319-D322 PolarHBondContact O-N 2.74Å; L320-D322 PolarHBondContact O-N 2.82Å; D322-R324 PolarHBondContact O-N 3.27Å; D322-R324 PolarHBondContact OD1-N 3.45Å; D322-R324 IonicContact OD1-NE 3.79Å; D322-R324 IonicContact OD2-CZ 3.48Å; D322-R324 IonicContact OD2-NE 2.94Å; D322-R324 PolarHBondContact OD2-NE 3Å; D322-R324 IonicContact OD2-NH2 2.73Å; D322-R324 PolarHBondContact OD2-NH2 3.4Å; D322-T325 PolarHBondContact O-N 2.9Å; D322-T325 PolarHBondContact O-OG1 3.25Å
323	S	42.7	Very low	59.4	Low	104 Å²	104	54.5 Å²	54.5	73%	0.727	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.3	-23	169	61.9	0	0	0	0	116.1	I321	I321-S323 PolarHBondContact O-N 2.77Å
324	R	41	Very low	57.4	Low	179 Å²	179	55.1 Å²	55.1	68%	0.675	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-20	178.1	-74.6	-177.8	-92.6	-166.7	-12.7	113.9	D322	D322-R324 PolarHBondContact O-N 3.27Å; D322-R324 PolarHBondContact OD1-N 3.45Å; D322-R324 IonicContact OD1-NE 3.79Å; D322-R324 IonicContact OD2-CZ 3.48Å; D322-R324 IonicContact OD2-NE 2.94Å; D322-R324 PolarHBondContact OD2-NE 3Å; D322-R324 IonicContact OD2-NH2 2.73Å; D322-R324 PolarHBondContact OD2-NH2 3.4Å
325	T	39.7	Very low	55.8	Low	62 Å²	62	55.4 Å²	55.4	38%	0.38	29%	0.287	S	S	.	.	S	Bend	trans	-96	143.9	177.9	59	0	0	0	0	109.6	D322 L327	D322-T325 PolarHBondContact O-N 2.9Å; D322-T325 PolarHBondContact O-OG1 3.25Å; T325-L327 HydrophobicContact CG2-CD1 4.11Å; T325-L327 PolarHBondContact O-N 3.08Å; T325-L327 WeakPolarHBondContact OG1-CB 3.4Å; T325-L327 WeakPolarHBondContact OG1-CD1 3.33Å
326	K	41.2	Very low	53.9	Low	174 Å²	174	59.3 Å²	59.3	76%	0.757	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-66.4	21.5	173	-66.9	173.8	179.4	171	0	112.5	S328 K329	K326-S328 VanDerWaalsContact C-N 3.27Å; K326-S328 PolarHBondContact O-N 3.32Å; K326-K329 PolarHBondContact O-N 3.15Å
327	L	41.9	Very low	52.2	Low	28 Å²	28	64.5 Å²	64.5	15%	0.147	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-67.8	-21.6	-175.7	-105	119.1	0	0	0	112.9	L320 T325 K329 H330 L331	L320-L327 WeakPolarHBondContact O-CD2 3.36Å; T325-L327 HydrophobicContact CG2-CD1 4.11Å; T325-L327 PolarHBondContact O-N 3.08Å; T325-L327 WeakPolarHBondContact OG1-CB 3.4Å; T325-L327 WeakPolarHBondContact OG1-CD1 3.33Å; L327-K329 PolarHBondContact O-N 2.91Å; L327-H330 PolarHBondContact O-N 3.37Å; L327-L331 HydrophobicContact CB-CD1 4.05Å; L327-L331 HydrophobicContact CB-CG 4.08Å; L327-L331 HydrophobicContact CD2-CD1 4.33Å; L327-L331 HydrophobicContact CD2-CD2 3.51Å; L327-L331 HydrophobicContact CD2-CG 3.73Å; L327-L331 WeakPolarHBondContact O-CB 3.5Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.37Å; L327-L331 PolarHBondContact O-N 3.29Å
328	S	42.8	Very low	50.8	Low	77 Å²	77	67.6 Å²	67.6	54%	0.538	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-54.9	-23.3	173.9	61.4	0	0	0	0	113.6	K326	K326-S328 VanDerWaalsContact C-N 3.27Å; K326-S328 PolarHBondContact O-N 3.32Å
329	K	43.6	Very low	49.1	Very low	172 Å²	172	69 Å²	69	75%	0.748	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-84	-16.5	177.5	-65.1	-174.3	178.7	-174.9	0	114.6	K326 L327	K326-K329 PolarHBondContact O-N 3.15Å; L327-K329 PolarHBondContact O-N 2.91Å
330	H	42.6	Very low	47.8	Very low	102 Å²	102	72.5 Å²	72.5	47%	0.472	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-11.9	-169.4	-63.6	-75.2	0	0	0	114.4	L327 V332	L327-H330 PolarHBondContact O-N 3.37Å; H330-V332 PolarHBondContact O-N 3.28Å
331	L	47.5	Very low	47	Very low	14 Å²	14	74.6 Å²	74.6	7%	0.073	41%	0.406	C	S	.	.			trans	-66.4	115.3	178.5	-81.9	170.1	0	0	0	110	W254 I321 L327 P343 L344	W254-L331 HydrophobicContact CH2-CD2 4.02Å; W254-L331 HydrophobicContact CZ2-CD2 4.44Å; W254-L331 HydrophobicContact CZ3-CD2 4.14Å; I321-L331 HydrophobicContact CD1-CD1 4.44Å; I321-L331 HydrophobicContact CG1-CD1 3.95Å; I321-L331 HydrophobicContact CG1-CD2 4.2Å; L327-L331 HydrophobicContact CB-CD1 4.05Å; L327-L331 HydrophobicContact CB-CG 4.08Å; L327-L331 HydrophobicContact CD2-CD1 4.33Å; L327-L331 HydrophobicContact CD2-CD2 3.51Å; L327-L331 HydrophobicContact CD2-CG 3.73Å; L327-L331 WeakPolarHBondContact O-CB 3.5Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.37Å; L327-L331 PolarHBondContact O-N 3.29Å; L331-P343 CarbonylContact O-C 3.55Å; L331-P343 WeakPolarHBondContact O-CA 3.45Å; L331-L344 HydrophobicContact CB-CB 3.73Å; L331-L344 HydrophobicContact CB-CD1 3.5Å; L331-L344 VanDerWaalsContact CB-CD1 3.5Å; L331-L344 HydrophobicContact CB-CG 3.98Å; L331-L344 HydrophobicContact CD1-CD1 3.94Å; L331-L344 HydrophobicContact CD2-CD1 3.8Å; L331-L344 HydrophobicContact CG-CD1 3.92Å; L331-L344 PolarHBondContact O-N 3.01Å
332	V	52.3	Low	46.5	Very low	29 Å²	29	74.9 Å²	74.9	18%	0.176	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140	170.1	-75.4	0	0	0	0	108.5	I291 H330 L341 E342 P343	I291-V332 HydrophobicContact CG2-CG2 3.44Å; I291-V332 VanDerWaalsContact CG2-CG2 3.44Å; H330-V332 PolarHBondContact O-N 3.28Å; V332-L341 HydrophobicContact CB-CB 4.31Å; V332-L341 HydrophobicContact CG2-CD2 4.33Å; V332-E342 CarbonylContact C-O 3.56Å; V332-E342 WeakPolarHBondContact CA-O 3.49Å; V332-P343 HydrophobicContact CG1-CG 4.46Å
333	V	51.1	Low	46.4	Very low	5 Å²	5	78 Å²	78	3%	0.03	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.7	170.3	-159.9	0	0	0	0	109.4	K253 W254 F257 N335 E342 L344	K253-V333 HydrophobicContact CB-CB 4.41Å; K253-V333 HydrophobicContact CB-CG1 4.1Å; K253-V333 HydrophobicContact CB-CG2 4.19Å; W254-V333 HydrophobicContact CE3-CG2 4.32Å; F257-V333 HydrophobicContact CB-CG1 3.95Å; F257-V333 HydrophobicContact CG-CG1 4.34Å; V333-N335 PolarHBondContact O-N 3.29Å; V333-E342 PolarHBondContact N-O 3.24Å; V333-E342 PolarHBondContact O-N 2.94Å; V333-L344 HydrophobicContact CB-CD2 4.43Å; V333-L344 HydrophobicContact CG2-CD1 3.81Å; V333-L344 HydrophobicContact CG2-CD2 3.05Å; V333-L344 HydrophobicContact CG2-CG 3.25Å
334	P	46.5	Very low	46.8	Very low	21 Å²	21	74 Å²	74	14%	0.136	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	123.1	164.5	21.5	-29.3	0	0	0	110.2	F257 I291 A336 L341	F257-P334 HydrophobicContact CD1-CG 4.33Å; F257-P334 HydrophobicContact CD2-CG 3.41Å; F257-P334 VanDerWaalsContact CD2-CG 3.41Å; F257-P334 HydrophobicContact CE1-CG 4.39Å; F257-P334 HydrophobicContact CE2-CG 3.44Å; F257-P334 VanDerWaalsContact CE2-CG 3.44Å; F257-P334 HydrophobicContact CG-CG 3.92Å; F257-P334 HydrophobicContact CZ-CG 3.98Å; I291-P334 HydrophobicContact CD1-CG 4.43Å; P334-A336 PolarHBondContact O-N 3.27Å; P334-L341 HydrophobicContact CB-CD2 4.25Å
335	N	51.1	Low	47.3	Very low	10 Å²	10	67.3 Å²	67.3	5%	0.053	38%	0.377	C	S	.	.			trans	-75.1	114.4	170.1	176.8	-31.1	0	0	0	108.3	V333 Q337 T338 G339 Q340 E342	V333-N335 PolarHBondContact O-N 3.29Å; N335-Q337 PolarHBondContact O-N 3.3Å; N335-Q337 VanDerWaalsContact O-N 3.12Å; N335-Q337 WeakPolarHBondContact OD1-CB 3.2Å; N335-Q337 PolarHBondContact OD1-N 3.19Å; N335-T338 VanDerWaalsContact CB-OG1 3.23Å; N335-T338 WeakPolarHBondContact CB-OG1 3.23Å; N335-T338 PolarHBondContact O-N 3.41Å; N335-T338 PolarHBondContact OD1-N 2.89Å; N335-G339 WeakPolarHBondContact O-CA 3.24Å; N335-G339 PolarHBondContact O-N 3.18Å; N335-Q340 WeakPolarHBondContact CB-O 3.46Å; N335-Q340 PolarHBondContact N-O 3.33Å; N335-E342 HydrophobicContact CB-CG 4.29Å; N335-E342 PolarHBondContact ND2-OE1 3.22Å; N335-E342 PolarHBondContact ND2-OE2 3.21Å
336	A	45.5	Very low	48	Very low	95 Å²	95	66.9 Å²	66.9	79%	0.785	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.3	-176.1	0	0	0	0	0	114.3	P334	P334-A336 PolarHBondContact O-N 3.27Å
337	Q	44	Very low	48.8	Very low	150 Å²	150	70.2 Å²	70.2	70%	0.701	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-34	-178.9	-62.5	159.4	9	0	0	111.9	N335	N335-Q337 PolarHBondContact O-N 3.3Å; N335-Q337 VanDerWaalsContact O-N 3.12Å; N335-Q337 WeakPolarHBondContact OD1-CB 3.2Å; N335-Q337 PolarHBondContact OD1-N 3.19Å
338	T	50.2	Low	49.9	Very low	67 Å²	67	70 Å²	70	41%	0.411	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-15.2	-176.1	65.4	0	0	0	0	113.3	N335 Q340	N335-T338 VanDerWaalsContact CB-OG1 3.23Å; N335-T338 WeakPolarHBondContact CB-OG1 3.23Å; N335-T338 PolarHBondContact O-N 3.41Å; N335-T338 PolarHBondContact OD1-N 2.89Å; T338-Q340 PolarHBondContact O-N 3.17Å; T338-Q340 PolarHBondContact OG1-N 3.39Å
339	G	46	Very low	51.4	Low	65 Å²	65	69.1 Å²	69.1	67%	0.67	37%	0.373	S	S	*	.			trans	66	8.6	-173	0	0	0	0	0	113.9	N335	N335-G339 WeakPolarHBondContact O-CA 3.24Å; N335-G339 PolarHBondContact O-N 3.18Å
340	Q	45.7	Very low	52.9	Low	116 Å²	116	69.2 Å²	69.2	54%	0.542	38%	0.377	S	S	.	.			trans	-101	154.4	-178	-66.7	-172.6	-8.5	0	0	111.7	N335 T338	N335-Q340 WeakPolarHBondContact CB-O 3.46Å; N335-Q340 PolarHBondContact N-O 3.33Å; T338-Q340 PolarHBondContact O-N 3.17Å; T338-Q340 PolarHBondContact OG1-N 3.39Å
341	L	51.6	Low	54.8	Low	54 Å²	54	68.4 Å²	68.4	28%	0.283	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	130	177.5	-67.4	157.2	0	0	0	111	L289 G290 I291 V332 P334	L289-L341 VanDerWaalsContact O-CD1 3.3Å; L289-L341 WeakPolarHBondContact O-CD1 3.44Å; G290-L341 VanDerWaalsContact C-CD1 3.46Å; G290-L341 WeakPolarHBondContact O-CD1 3.34Å; I291-L341 HydrophobicContact CB-CD1 4.21Å; I291-L341 HydrophobicContact CB-CD2 4.01Å; I291-L341 HydrophobicContact CD1-CD2 3.59Å; I291-L341 HydrophobicContact CG1-CD1 3.99Å; I291-L341 HydrophobicContact CG1-CD2 3.41Å; I291-L341 VanDerWaalsContact CG1-CD2 3.41Å; I291-L341 HydrophobicContact CG1-CG 4.26Å; I291-L341 HydrophobicContact CG2-CD2 4.05Å; V332-L341 HydrophobicContact CB-CB 4.31Å; V332-L341 HydrophobicContact CG2-CD2 4.33Å; P334-L341 HydrophobicContact CB-CD2 4.25Å
342	E	53.2	Low	56.1	Low	23 Å²	23	68.2 Å²	68.2	11%	0.107	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.6	-177.8	-67.3	-179	171.9	0	0	110.4	K176 V332 V333 N335 L344	K176-E342 VanDerWaalsContact CD-OE1 3.27Å; K176-E342 WeakPolarHBondContact CD-OE1 3.39Å; K176-E342 IonicContact NZ-OE1 2.92Å; V332-E342 CarbonylContact C-O 3.56Å; V332-E342 WeakPolarHBondContact CA-O 3.49Å; V333-E342 PolarHBondContact N-O 3.24Å; V333-E342 PolarHBondContact O-N 2.94Å; N335-E342 HydrophobicContact CB-CG 4.29Å; N335-E342 PolarHBondContact ND2-OE1 3.22Å; N335-E342 PolarHBondContact ND2-OE2 3.21Å; E342-L344 PolarHBondContact O-N 3.47Å
343	P	53.7	Low	57.2	Low	91 Å²	91	71.7 Å²	71.7	59%	0.591	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.9	131.3	173	-24.3	33.2	0	0	0	110.3	L331 V332 L345	L331-P343 CarbonylContact O-C 3.55Å; L331-P343 WeakPolarHBondContact O-CA 3.45Å; V332-P343 HydrophobicContact CG1-CG 4.46Å; P343-L345 PolarHBondContact O-N 3.03Å
344	L	50.8	Low	58.5	Low	19 Å²	19	74.9 Å²	74.9	10%	0.099	40%	0.403	C	S	.	.	S	Bend	trans	-56.5	-38.2	-177.8	-101.7	176.2	0	0	0	111	V250 W254 I321 L331 V333 E342	V250-L344 HydrophobicContact CB-CD2 3.74Å; V250-L344 HydrophobicContact CG1-CB 4.32Å; V250-L344 HydrophobicContact CG1-CD1 4.1Å; V250-L344 HydrophobicContact CG1-CD2 3.57Å; V250-L344 HydrophobicContact CG1-CG 4.2Å; V250-L344 HydrophobicContact CG2-CB 4.25Å; V250-L344 HydrophobicContact CG2-CD2 3.85Å; V250-L344 WeakPolarHBondContact CG2-O 3.22Å; W254-L344 HydrophobicContact CD2-CD1 4.47Å; W254-L344 HydrophobicContact CE3-CD1 3.91Å; W254-L344 HydrophobicContact CZ3-CD1 4.38Å; I321-L344 HydrophobicContact CD1-CD1 3.79Å; L331-L344 HydrophobicContact CB-CB 3.73Å; L331-L344 HydrophobicContact CB-CD1 3.5Å; L331-L344 VanDerWaalsContact CB-CD1 3.5Å; L331-L344 HydrophobicContact CB-CG 3.98Å; L331-L344 HydrophobicContact CD1-CD1 3.94Å; L331-L344 HydrophobicContact CD2-CD1 3.8Å; L331-L344 HydrophobicContact CG-CD1 3.92Å; L331-L344 PolarHBondContact O-N 3.01Å; V333-L344 HydrophobicContact CB-CD2 4.43Å; V333-L344 HydrophobicContact CG2-CD1 3.81Å; V333-L344 HydrophobicContact CG2-CD2 3.05Å; V333-L344 HydrophobicContact CG2-CG 3.25Å; E342-L344 PolarHBondContact O-N 3.47Å
345	L	53	Low	60.3	Low	40 Å²	40	74.8 Å²	74.8	21%	0.209	40%	0.4	C	S	.	.	S	Bend	trans	-112.2	121.5	171.1	-64.2	167.1	0	0	0	108.2	V250 P343 R347 F348	V250-L345 HydrophobicContact CG2-CD2 3.59Å; V250-L345 HydrophobicContact CG2-CG 4.16Å; P343-L345 PolarHBondContact O-N 3.03Å; L345-R347 PolarHBondContact O-N 3.35Å; L345-F348 HydrophobicContact CB-CD2 4.42Å; L345-F348 HydrophobicContact CB-CE2 4.2Å; L345-F348 HydrophobicContact CD1-CD2 4.19Å; L345-F348 HydrophobicContact CD1-CE2 3.67Å; L345-F348 HydrophobicContact CD2-CD2 4.39Å; L345-F348 HydrophobicContact CD2-CE2 3.41Å; L345-F348 VanDerWaalsContact CD2-CE2 3.41Å; L345-F348 HydrophobicContact CD2-CZ 3.69Å; L345-F348 HydrophobicContact CG-CE2 3.93Å
346	S	53.2	Low	61.7	Low	53 Å²	53	76.6 Å²	76.6	37%	0.371	41%	0.409	S	S	.	.			trans	-50.3	129.1	153.2	54.7	0	0	0	0	106.5	Q246 F348	Q246-S346 PolarHBondContact NE2-OG 3.5Å; Q246-S346 VanDerWaalsContact NE2-OG 3.17Å; S346-F348 PolarHBondContact O-N 3.36Å
347	R	58.5	Low	63.3	Low	243 Å²	243	74.7 Å²	74.7	92%	0.917	39%	0.388	S	S	*	.			trans	-45.9	109.4	-178.2	-72.5	-176.4	179.8	178.4	0.5	108.9	L345 T349	L345-R347 PolarHBondContact O-N 3.35Å; R347-T349 PolarHBondContact O-N 2.67Å
348	F	65	Low	65.4	Low	23 Å²	23	70.9 Å²	70.9	10%	0.101	37%	0.367	C	S	.	.			trans	-58.5	139.7	173.5	-75.2	-69	0	0	0	107.6	F243 Q246 L345 S346 E352 E353	F243-F348 HydrophobicContact CD2-CZ 4.03Å; Q246-F348 HydrophobicContact CB-CZ 4.49Å; L345-F348 HydrophobicContact CB-CD2 4.42Å; L345-F348 HydrophobicContact CB-CE2 4.2Å; L345-F348 HydrophobicContact CD1-CD2 4.19Å; L345-F348 HydrophobicContact CD1-CE2 3.67Å; L345-F348 HydrophobicContact CD2-CD2 4.39Å; L345-F348 HydrophobicContact CD2-CE2 3.41Å; L345-F348 VanDerWaalsContact CD2-CE2 3.41Å; L345-F348 HydrophobicContact CD2-CZ 3.69Å; L345-F348 HydrophobicContact CG-CE2 3.93Å; S346-F348 PolarHBondContact O-N 3.36Å; F348-E352 WeakPolarHBondContact CA-OE2 3.34Å; F348-E352 HydrophobicContact CB-CB 4.07Å; F348-E352 HydrophobicContact CD1-CB 3.68Å; F348-E352 HydrophobicContact CD1-CG 4.48Å; F348-E352 HydrophobicContact CG-CB 4.3Å; F348-E353 HydrophobicContact CB-CG 3.56Å; F348-E353 HydrophobicContact CG-CG 4.42Å
349	T	74.4	Confident	67.2	Low	59 Å²	59	67.8 Å²	67.8	36%	0.362	35%	0.348	S	S	.	.			trans	-64.2	156.6	164.7	60.8	0	0	0	0	109.3	A166 R347 E351 E352 E353	A166-T349 HydrophobicContact CB-CG2 3.89Å; R347-T349 PolarHBondContact O-N 2.67Å; T349-E351 PolarHBondContact O-N 3.42Å; T349-E351 VanDerWaalsContact O-N 3.15Å; T349-E352 PolarHBondContact N-OE2 3.4Å; T349-E352 PolarHBondContact O-N 2.87Å; T349-E352 WeakPolarHBondContact OG1-CG 2.95Å; T349-E352 PolarHBondContact OG1-N 3.45Å; T349-E352 PolarHBondContact OG1-OE2 3.02Å; T349-E353 PolarHBondContact O-N 3.46Å
350	E	75.1	Confident	69	Low	175 Å²	175	67.8 Å²	67.8	82%	0.818	33%	0.332	S	S	*	.	H	α-helix	trans	-54.3	-36	177.5	-65.6	-178.2	171.9	0	0	112.2	L354	E350-L354 WeakPolarHBondContact O-CB 3.46Å; E350-L354 PolarHBondContact O-N 3.28Å
351	E	81.5	Confident	71	Confident	84 Å²	84	67.7 Å²	67.7	39%	0.393	33%	0.332	S	S	.	.	H	α-helix	trans	-70	-38.3	177	-179.3	56.3	-151.1	0	0	112.4	T349 L354 Q355 R358	T349-E351 PolarHBondContact O-N 3.42Å; T349-E351 VanDerWaalsContact O-N 3.15Å; E351-L354 PolarHBondContact O-N 3.39Å; E351-Q355 HydrophobicContact CG-CG 4.49Å; E351-Q355 WeakPolarHBondContact O-CB 3.42Å; E351-Q355 VanDerWaalsContact O-CG 3.24Å; E351-Q355 WeakPolarHBondContact O-CG 3.24Å; E351-Q355 PolarHBondContact O-N 2.99Å; E351-Q355 WeakPolarHBondContact OE1-CG 3.4Å; E351-Q355 PolarHBondContact OE1-NE2 2.94Å; E351-R358 IonicContact OE1-NH1 3.6Å; E351-R358 PolarHBondContact OE1-NH1 3.28Å
352	E	76.3	Confident	73.1	Confident	10 Å²	10	65.6 Å²	65.6	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-39.4	176.3	-72	161.8	157.5	0	0	111.5	A166 Q242 F348 T349 L354 Q355 M356	A166-E352 PolarHBondContact N-OE1 2.84Å; Q242-E352 VanDerWaalsContact NE2-CD 3.31Å; Q242-E352 PolarHBondContact NE2-OE1 2.84Å; Q242-E352 PolarHBondContact OE1-OE1 2.76Å; F348-E352 WeakPolarHBondContact CA-OE2 3.34Å; F348-E352 HydrophobicContact CB-CB 4.07Å; F348-E352 HydrophobicContact CD1-CB 3.68Å; F348-E352 HydrophobicContact CD1-CG 4.48Å; F348-E352 HydrophobicContact CG-CB 4.3Å; T349-E352 PolarHBondContact N-OE2 3.4Å; T349-E352 PolarHBondContact O-N 2.87Å; T349-E352 WeakPolarHBondContact OG1-CG 2.95Å; T349-E352 PolarHBondContact OG1-N 3.45Å; T349-E352 PolarHBondContact OG1-OE2 3.02Å; E352-L354 VanDerWaalsContact C-N 3.3Å; E352-L354 PolarHBondContact O-N 3.12Å; E352-Q355 PolarHBondContact O-N 3.05Å; E352-M356 WeakPolarHBondContact O-CB 3.45Å; E352-M356 PolarHBondContact O-N 3.04Å
353	E	74.6	Confident	75	Confident	102 Å²	102	64.7 Å²	64.7	48%	0.477	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-39.2	172.7	-67	-169	163.1	0	0	111.7	F348 T349 T357	F348-E353 HydrophobicContact CB-CG 3.56Å; F348-E353 HydrophobicContact CG-CG 4.42Å; T349-E353 PolarHBondContact O-N 3.46Å; E353-T357 WeakPolarHBondContact O-CB 3.28Å; E353-T357 PolarHBondContact O-N 3.11Å; E353-T357 PolarHBondContact O-OG1 2.92Å
354	L	79.5	Confident	76.9	Confident	73 Å²	73	61.5 Å²	61.5	38%	0.382	29%	0.294	S	S	.	.	H	α-helix	trans	-68.3	-41.9	177.5	-172.6	59	0	0	0	111.8	E350 E351 E352 T357 R358	E350-L354 WeakPolarHBondContact O-CB 3.46Å; E350-L354 PolarHBondContact O-N 3.28Å; E351-L354 PolarHBondContact O-N 3.39Å; E352-L354 VanDerWaalsContact C-N 3.3Å; E352-L354 PolarHBondContact O-N 3.12Å; L354-T357 PolarHBondContact O-N 3.43Å; L354-R358 VanDerWaalsContact O-CG 3.3Å; L354-R358 WeakPolarHBondContact O-CG 3.23Å; L354-R358 PolarHBondContact O-N 3.46Å
355	Q	82.8	Confident	79.1	Confident	18 Å²	18	63.5 Å²	63.5	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-62.2	-43.2	175.1	-73.4	169.3	0.3	0	0	111.9	E351 E352 R358 M359	E351-Q355 HydrophobicContact CG-CG 4.49Å; E351-Q355 WeakPolarHBondContact O-CB 3.42Å; E351-Q355 VanDerWaalsContact O-CG 3.24Å; E351-Q355 WeakPolarHBondContact O-CG 3.24Å; E351-Q355 PolarHBondContact O-N 2.99Å; E351-Q355 WeakPolarHBondContact OE1-CG 3.4Å; E351-Q355 PolarHBondContact OE1-NE2 2.94Å; E352-Q355 PolarHBondContact O-N 3.05Å; Q355-R358 PolarHBondContact O-N 2.92Å; Q355-M359 PolarHBondContact O-N 2.9Å
356	M	82.1	Confident	81.2	Confident	48 Å²	48	61.6 Å²	61.6	24%	0.236	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-50.5	171.4	173.3	-174.5	71.8	0	0	110.8	F243 E352 R358 M359 L360	F243-M356 HydrophobicContact CD1-CB 4.36Å; F243-M356 HydrophobicContact CD1-CG 4.04Å; F243-M356 HydrophobicContact CD2-CB 4.03Å; F243-M356 HydrophobicContact CD2-CG 3.73Å; F243-M356 HydrophobicContact CD2-SD 3.76Å; F243-M356 HydrophobicContact CE1-CG 3.79Å; F243-M356 HydrophobicContact CE2-CB 4.31Å; F243-M356 HydrophobicContact CE2-CG 3.5Å; F243-M356 HydrophobicContact CE2-SD 3.23Å; F243-M356 WeakPolarHBondContact CE2-SD 3.5Å; F243-M356 HydrophobicContact CG-CB 4.07Å; F243-M356 HydrophobicContact CG-CG 4.01Å; F243-M356 HydrophobicContact CZ-CG 3.54Å; F243-M356 HydrophobicContact CZ-SD 3.68Å; E352-M356 WeakPolarHBondContact O-CB 3.45Å; E352-M356 PolarHBondContact O-N 3.04Å; M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.49Å; M356-M359 WeakPolarHBondContact O-CB 3.48Å; M356-M359 PolarHBondContact O-N 3.47Å; M356-M359 VanDerWaalsContact O-N 3.16Å; M356-L360 HydrophobicContact CG-CD1 4.46Å; M356-L360 WeakPolarHBondContact O-CG 3.45Å; M356-L360 PolarHBondContact O-N 3.33Å; M356-L360 VanDerWaalsContact O-N 3.15Å
357	T	78.9	Confident	83.3	Confident	56 Å²	56	59 Å²	59	34%	0.344	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-42.7	-179.3	-60.3	0	0	0	0	111.6	E353 L354 L360 Q361	E353-T357 WeakPolarHBondContact O-CB 3.28Å; E353-T357 PolarHBondContact O-N 3.11Å; E353-T357 PolarHBondContact O-OG1 2.92Å; L354-T357 PolarHBondContact O-N 3.43Å; T357-L360 PolarHBondContact O-N 3.4Å; T357-Q361 HydrophobicContact CG2-CG 4.42Å; T357-Q361 VanDerWaalsContact O-CG 3.29Å; T357-Q361 WeakPolarHBondContact O-CG 3.19Å; T357-Q361 PolarHBondContact O-N 3.34Å
358	R	87.1	Confident	85.1	Confident	70 Å²	70	52.4 Å²	52.4	26%	0.264	26%	0.257	S	S	.	.	H	α-helix	trans	-62.1	-42.6	176.4	-71.9	173.3	-176.6	139.7	-5.1	111.9	E205 E351 L354 Q355 M356 L360 Q361 R362	E205-R358 WeakPolarHBondContact OE2-CB 3.3Å; E205-R358 WeakPolarHBondContact OE2-CD 3.24Å; E351-R358 IonicContact OE1-NH1 3.6Å; E351-R358 PolarHBondContact OE1-NH1 3.28Å; L354-R358 VanDerWaalsContact O-CG 3.3Å; L354-R358 WeakPolarHBondContact O-CG 3.23Å; L354-R358 PolarHBondContact O-N 3.46Å; Q355-R358 PolarHBondContact O-N 2.92Å; M356-R358 VanDerWaalsContact C-N 3.31Å; M356-R358 PolarHBondContact O-N 3.49Å; R358-L360 VanDerWaalsContact C-N 3.34Å; R358-L360 PolarHBondContact O-N 2.96Å; R358-Q361 PolarHBondContact O-N 3.17Å; R358-R362 WeakPolarHBondContact O-CG 3.44Å; R358-R362 PolarHBondContact O-N 2.78Å
359	M	87.4	Confident	86.7	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-57	-47.4	175.5	-174.7	-171.8	-73.7	0	0	111.5	L238 G239 R240 F243 L244 Q355 M356 R362 M363	L238-M359 HydrophobicContact CB-CG 4.25Å; L238-M359 WeakPolarHBondContact O-CA 3.42Å; G239-M359 VanDerWaalsContact CA-CE 3.41Å; R240-M359 WeakPolarHBondContact O-CE 3.4Å; F243-M359 HydrophobicContact CD1-CE 4.32Å; F243-M359 HydrophobicContact CD1-SD 3.94Å; F243-M359 HydrophobicContact CE1-SD 4.28Å; L244-M359 HydrophobicContact CD1-CE 4.29Å; L244-M359 HydrophobicContact CD2-CE 4.41Å; L244-M359 HydrophobicContact CD2-SD 3.91Å; L244-M359 HydrophobicContact CG-CE 4.12Å; L244-M359 HydrophobicContact CG-SD 4.28Å; Q355-M359 PolarHBondContact O-N 2.9Å; M356-M359 WeakPolarHBondContact O-CB 3.48Å; M356-M359 PolarHBondContact O-N 3.47Å; M356-M359 VanDerWaalsContact O-N 3.16Å; M359-R362 PolarHBondContact O-N 2.88Å; M359-M363 WeakPolarHBondContact O-CG 3.28Å; M359-M363 PolarHBondContact O-N 3.38Å; M359-M363 VanDerWaalsContact O-N 3.12Å
360	L	84.6	Confident	87.7	Confident	66 Å²	66	50.5 Å²	50.5	35%	0.346	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-39.5	178.4	-60.1	178.6	0	0	0	112.3	M356 T357 R358 M363 D364 L393	M356-L360 HydrophobicContact CG-CD1 4.46Å; M356-L360 WeakPolarHBondContact O-CG 3.45Å; M356-L360 PolarHBondContact O-N 3.33Å; M356-L360 VanDerWaalsContact O-N 3.15Å; T357-L360 PolarHBondContact O-N 3.4Å; R358-L360 VanDerWaalsContact C-N 3.34Å; R358-L360 PolarHBondContact O-N 2.96Å; L360-M363 PolarHBondContact O-N 3.02Å; L360-D364 PolarHBondContact O-N 2.82Å; L360-L393 HydrophobicContact CD2-CD1 4.23Å; L360-L393 HydrophobicContact CD2-CD2 3.6Å; L360-L393 HydrophobicContact CD2-CG 4.43Å
361	Q	87.6	Confident	88.7	Confident	113 Å²	113	45.8 Å²	45.8	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-61.3	-42.8	174.9	-74.8	172.8	-8	0	0	111.8	T357 R358 M363 D364 V365	T357-Q361 HydrophobicContact CG2-CG 4.42Å; T357-Q361 VanDerWaalsContact O-CG 3.29Å; T357-Q361 WeakPolarHBondContact O-CG 3.19Å; T357-Q361 PolarHBondContact O-N 3.34Å; R358-Q361 PolarHBondContact O-N 3.17Å; Q361-M363 VanDerWaalsContact C-N 3.34Å; Q361-M363 PolarHBondContact O-N 2.76Å; Q361-D364 WeakPolarHBondContact O-CB 3.24Å; Q361-D364 PolarHBondContact O-N 3Å; Q361-V365 WeakPolarHBondContact O-CG2 3.43Å; Q361-V365 PolarHBondContact O-N 3.11Å
362	R	96.2	Very high	89.3	Confident	10 Å²	10	48.6 Å²	48.6	4%	0.038	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-41	176.3	-66.4	-178.4	-172.3	104.1	7.5	111.8	E205 C208 D209 M212 L238 R358 M359 D364 V365 L366	E205-R362 PolarHBondContact O-NH2 3.23Å; E205-R362 IonicContact OE2-CZ 2.96Å; E205-R362 IonicContact OE2-NH1 3.92Å; E205-R362 PolarHBondContact OE2-NH1 3.5Å; E205-R362 IonicContact OE2-NH2 2.65Å; E205-R362 PolarHBondContact OE2-NH2 3.32Å; C208-R362 VanDerWaalsContact CB-CZ 3.47Å; D209-R362 IonicContact OD1-CZ 2.73Å; D209-R362 IonicContact OD1-NE 3.38Å; D209-R362 PolarHBondContact OD1-NE 2.96Å; D209-R362 IonicContact OD1-NH2 2.65Å; D209-R362 PolarHBondContact OD1-NH2 3.11Å; D209-R362 IonicContact OD2-NH2 2.68Å; M212-R362 HydrophobicContact CB-CG 4.48Å; M212-R362 HydrophobicContact CG-CB 4.35Å; M212-R362 HydrophobicContact CG-CG 4.48Å; M212-R362 HydrophobicContact SD-CB 3.76Å; M212-R362 HydrophobicContact SD-CG 3.61Å; L238-R362 HydrophobicContact CB-CB 4.41Å; L238-R362 HydrophobicContact CD2-CB 4.28Å; L238-R362 WeakPolarHBondContact O-CD 3.42Å; L238-R362 PolarHBondContact O-NH1 2.74Å; R358-R362 WeakPolarHBondContact O-CG 3.44Å; R358-R362 PolarHBondContact O-N 2.78Å; M359-R362 PolarHBondContact O-N 2.88Å; R362-D364 VanDerWaalsContact C-N 3.34Å; R362-D364 PolarHBondContact O-N 3.5Å; R362-V365 PolarHBondContact O-N 3.47Å; R362-L366 VanDerWaalsContact O-CG 3.29Å; R362-L366 WeakPolarHBondContact O-CG 3.44Å; R362-L366 PolarHBondContact O-N 3.41Å
363	M	93.6	Very high	90.1	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.025	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-43.9	174	-68.2	178.4	68.7	0	0	111.8	L235 L238 M359 L360 Q361 L366 A367 L393 M397	L235-M363 HydrophobicContact CD1-CE 3.97Å; L235-M363 HydrophobicContact CD1-SD 4.21Å; L235-M363 HydrophobicContact CD2-CE 4.03Å; L235-M363 HydrophobicContact CD2-SD 3.91Å; L235-M363 HydrophobicContact CG-CE 4.17Å; L235-M363 HydrophobicContact CG-SD 3.85Å; L238-M363 HydrophobicContact CD1-CG 3.78Å; M359-M363 WeakPolarHBondContact O-CG 3.28Å; M359-M363 PolarHBondContact O-N 3.38Å; M359-M363 VanDerWaalsContact O-N 3.12Å; L360-M363 PolarHBondContact O-N 3.02Å; Q361-M363 VanDerWaalsContact C-N 3.34Å; Q361-M363 PolarHBondContact O-N 2.76Å; M363-L366 PolarHBondContact O-N 2.89Å; M363-A367 WeakPolarHBondContact O-CB 3.33Å; M363-A367 PolarHBondContact O-N 3.26Å; M363-L393 HydrophobicContact CE-CB 4.25Å; M363-M397 HydrophobicContact CB-CE 4.13Å; M363-M397 HydrophobicContact CB-SD 4.34Å; M363-M397 HydrophobicContact CE-CG 3.79Å; M363-M397 WeakPolarHBondContact O-CE 3.45Å
364	D	92	Very high	91	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.128	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-44.6	176.8	-176	78.9	0	0	0	112.7	L360 Q361 R362 L366 A367 K368 K400 F401	L360-D364 PolarHBondContact O-N 2.82Å; Q361-D364 WeakPolarHBondContact O-CB 3.24Å; Q361-D364 PolarHBondContact O-N 3Å; R362-D364 VanDerWaalsContact C-N 3.34Å; R362-D364 PolarHBondContact O-N 3.5Å; D364-L366 PolarHBondContact O-N 2.81Å; D364-A367 PolarHBondContact O-N 3.01Å; D364-K368 WeakPolarHBondContact O-CB 3.14Å; D364-K368 WeakPolarHBondContact O-CG 3.27Å; D364-K368 PolarHBondContact O-N 3.26Å; D364-K368 WeakPolarHBondContact OD2-CD 3.43Å; D364-K368 WeakPolarHBondContact OD2-CE 3.46Å; D364-K368 IonicContact OD2-NZ 2.66Å; D364-K368 PolarHBondContact OD2-NZ 3.01Å; D364-K400 IonicContact OD1-NZ 3.12Å; D364-K400 PolarHBondContact OD1-NZ 3.49Å; D364-F401 WeakPolarHBondContact OD1-CZ 3.42Å
365	V	97.8	Very high	91.7	Very high	60 Å²	60	43.3 Å²	43.3	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-59.4	-46.1	176.1	168.4	0	0	0	0	111.1	M212 L216 Q361 R362 K368 K369	M212-V365 HydrophobicContact SD-CB 4.05Å; M212-V365 HydrophobicContact SD-CG1 3.86Å; L216-V365 HydrophobicContact CD1-CG1 4.37Å; L216-V365 HydrophobicContact CD2-CG1 4.23Å; Q361-V365 WeakPolarHBondContact O-CG2 3.43Å; Q361-V365 PolarHBondContact O-N 3.11Å; R362-V365 PolarHBondContact O-N 3.47Å; V365-K368 PolarHBondContact O-N 3.33Å; V365-K369 PolarHBondContact O-N 3.39Å
366	L	97.9	Very high	92.4	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-45	177.8	-67.4	173.7	0	0	0	111.6	M212 F215 L216 I219 I233 L238 R362 M363 D364 K368 K369 A370 L377	M212-L366 HydrophobicContact CG-CD2 3.98Å; M212-L366 HydrophobicContact CG-CG 4.13Å; F215-L366 HydrophobicContact CB-CD1 4.16Å; F215-L366 HydrophobicContact CB-CD2 3.59Å; F215-L366 HydrophobicContact CD2-CD1 4.11Å; F215-L366 HydrophobicContact CG-CD1 4.49Å; L216-L366 HydrophobicContact CD2-CD2 3.84Å; L216-L366 HydrophobicContact CG-CD2 3.83Å; I219-L366 HydrophobicContact CD1-CB 4.45Å; I219-L366 HydrophobicContact CD1-CD2 4.06Å; I233-L366 HydrophobicContact CD1-CD1 4.28Å; I233-L366 HydrophobicContact CG2-CD1 4.39Å; L238-L366 HydrophobicContact CD1-CD1 3.84Å; L238-L366 HydrophobicContact CD2-CD1 3.95Å; R362-L366 VanDerWaalsContact O-CG 3.29Å; R362-L366 WeakPolarHBondContact O-CG 3.44Å; R362-L366 PolarHBondContact O-N 3.41Å; M363-L366 PolarHBondContact O-N 2.89Å; D364-L366 PolarHBondContact O-N 2.81Å; L366-K368 PolarHBondContact O-N 3.34Å; L366-K369 PolarHBondContact O-N 3.41Å; L366-A370 VanDerWaalsContact O-CB 3.27Å; L366-A370 WeakPolarHBondContact O-CB 3.38Å; L366-A370 PolarHBondContact O-N 3.25Å; L366-L377 HydrophobicContact CB-CD1 4.06Å
367	A	96.5	Very high	93.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.6	-39.3	179.7	0	0	0	0	0	112.8	M363 D364 A370 T371 L377 M397 F401 I408	M363-A367 WeakPolarHBondContact O-CB 3.33Å; M363-A367 PolarHBondContact O-N 3.26Å; D364-A367 PolarHBondContact O-N 3.01Å; A367-A370 PolarHBondContact O-N 3.06Å; A367-T371 PolarHBondContact O-N 3.3Å; A367-T371 PolarHBondContact O-OG1 2.8Å; A367-L377 HydrophobicContact CB-CD1 4.17Å; A367-M397 HydrophobicContact CB-CE 3.37Å; A367-F401 HydrophobicContact CB-CD1 4.07Å; A367-F401 HydrophobicContact CB-CD2 3.74Å; A367-F401 HydrophobicContact CB-CE1 3.89Å; A367-F401 HydrophobicContact CB-CE2 3.55Å; A367-F401 HydrophobicContact CB-CG 4Å; A367-F401 HydrophobicContact CB-CZ 3.62Å; A367-I408 HydrophobicContact CB-CD1 4.02Å
368	K	97.2	Very high	93.9	Very high	103 Å²	103	38.1 Å²	38.1	45%	0.448	19%	0.19	S	C	.	.	H	α-helix	trans	-60.6	-50.8	172.7	-76.6	170.3	173.1	165.9	0	111.4	D364 V365 L366 A370 T371 E372 F401	D364-K368 WeakPolarHBondContact O-CB 3.14Å; D364-K368 WeakPolarHBondContact O-CG 3.27Å; D364-K368 PolarHBondContact O-N 3.26Å; D364-K368 WeakPolarHBondContact OD2-CD 3.43Å; D364-K368 WeakPolarHBondContact OD2-CE 3.46Å; D364-K368 IonicContact OD2-NZ 2.66Å; D364-K368 PolarHBondContact OD2-NZ 3.01Å; V365-K368 PolarHBondContact O-N 3.33Å; L366-K368 PolarHBondContact O-N 3.34Å; K368-A370 VanDerWaalsContact C-N 3.29Å; K368-A370 PolarHBondContact O-N 2.98Å; K368-T371 WeakPolarHBondContact O-CB 3.4Å; K368-T371 PolarHBondContact O-N 3.41Å; K368-T371 VanDerWaalsContact O-N 3.14Å; K368-E372 WeakPolarHBondContact O-CG 3.47Å; K368-E372 PolarHBondContact O-N 2.71Å; K368-F401 HydrophobicContact CG-CE1 4.04Å; K368-F401 HydrophobicContact CG-CZ 4.23Å
369	K	97.3	Very high	94.3	Very high	42 Å²	42	34.9 Å²	34.9	18%	0.183	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-39.3	177.9	-174.5	64	170.9	-171.1	0	112.3	L216 I219 E220 V365 L366 T371 E372 M373	L216-K369 HydrophobicContact CD2-CB 3.57Å; L216-K369 HydrophobicContact CD2-CG 3.63Å; I219-K369 HydrophobicContact CB-CG 4.41Å; I219-K369 HydrophobicContact CD1-CB 4.25Å; I219-K369 HydrophobicContact CD1-CG 4.3Å; I219-K369 HydrophobicContact CG2-CG 3.95Å; E220-K369 WeakPolarHBondContact OE1-CE 3.46Å; E220-K369 IonicContact OE1-NZ 3.66Å; E220-K369 PolarHBondContact OE1-NZ 2.89Å; V365-K369 PolarHBondContact O-N 3.39Å; L366-K369 PolarHBondContact O-N 3.41Å; K369-T371 VanDerWaalsContact C-N 3.33Å; K369-E372 PolarHBondContact O-N 2.91Å; K369-M373 HydrophobicContact CD-CG 4.18Å; K369-M373 HydrophobicContact CG-CG 4.42Å; K369-M373 WeakPolarHBondContact O-CB 3.49Å; K369-M373 WeakPolarHBondContact O-CG 3.49Å; K369-M373 PolarHBondContact O-N 3.18Å
370	A	95.9	Very high	94.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-41.1	176.7	0	0	0	0	0	111.7	I219 L366 A367 K368 M373 G374 V375 L377	I219-A370 HydrophobicContact CD1-CB 4.26Å; L366-A370 VanDerWaalsContact O-CB 3.27Å; L366-A370 WeakPolarHBondContact O-CB 3.38Å; L366-A370 PolarHBondContact O-N 3.25Å; A367-A370 PolarHBondContact O-N 3.06Å; K368-A370 VanDerWaalsContact C-N 3.29Å; K368-A370 PolarHBondContact O-N 2.98Å; A370-M373 PolarHBondContact O-N 3.1Å; A370-G374 PolarHBondContact O-N 2.88Å; A370-V375 CarbonylContact C-O 3.59Å; A370-V375 WeakPolarHBondContact CB-O 3.37Å; A370-V375 PolarHBondContact O-N 3.49Å; A370-L377 HydrophobicContact CB-CD1 3.87Å; A370-L377 HydrophobicContact CB-CD2 3.61Å; A370-L377 HydrophobicContact CB-CG 3.52Å
371	T	95.1	Very high	95.2	Very high	77 Å²	77	33 Å²	33	47%	0.472	17%	0.17	S	C	.	.	H	α-helix	trans	-60.3	-49.6	173.7	-53.3	0	0	0	0	111.2	A367 K368 K369 M373 G374 L407	A367-T371 PolarHBondContact O-N 3.3Å; A367-T371 PolarHBondContact O-OG1 2.8Å; K368-T371 WeakPolarHBondContact O-CB 3.4Å; K368-T371 PolarHBondContact O-N 3.41Å; K368-T371 VanDerWaalsContact O-N 3.14Å; K369-T371 VanDerWaalsContact C-N 3.33Å; T371-M373 VanDerWaalsContact C-N 3.29Å; T371-M373 PolarHBondContact O-N 3.01Å; T371-G374 PolarHBondContact O-N 2.81Å; T371-L407 WeakPolarHBondContact OG1-CD2 3.26Å
372	E	94.4	Very high	95.6	Very high	142 Å²	142	27.6 Å²	27.6	66%	0.664	15%	0.145	S	C	*	.	H	α-helix	trans	-58.5	-40	179	-70.3	168.4	-169.8	0	0	112.6	K368 K369	K368-E372 WeakPolarHBondContact O-CG 3.47Å; K368-E372 PolarHBondContact O-N 2.71Å; K369-E372 PolarHBondContact O-N 2.91Å
373	M	94.4	Very high	95.5	Very high	53 Å²	53	27.1 Å²	27.1	26%	0.261	14%	0.143	S	C	.	.	H	α-helix	trans	-89.8	-1.8	-176.8	-63.1	-60.5	-53.7	0	0	113.7	I219 K369 A370 T371 V375	I219-M373 HydrophobicContact CG2-CB 3.83Å; I219-M373 HydrophobicContact CG2-CG 3.89Å; K369-M373 HydrophobicContact CD-CG 4.18Å; K369-M373 HydrophobicContact CG-CG 4.42Å; K369-M373 WeakPolarHBondContact O-CB 3.49Å; K369-M373 WeakPolarHBondContact O-CG 3.49Å; K369-M373 PolarHBondContact O-N 3.18Å; A370-M373 PolarHBondContact O-N 3.1Å; T371-M373 VanDerWaalsContact C-N 3.29Å; T371-M373 PolarHBondContact O-N 3.01Å; M373-V375 VanDerWaalsContact C-N 3.26Å; M373-V375 HydrophobicContact CB-CG2 4.11Å; M373-V375 PolarHBondContact O-N 3.46Å
374	G	92.6	Very high	95.6	Very high	22 Å²	22	27.2 Å²	27.2	23%	0.227	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	22.9	-176	0	0	0	0	0	114.4	D227 A370 T371	D227-G374 CarbonylContact C-O 3.56Å; A370-G374 PolarHBondContact O-N 2.88Å; T371-G374 PolarHBondContact O-N 2.81Å
375	V	94.8	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-102	143.3	-177.5	175.1	0	0	0	0	109.9	I219 I231 A370 M373 L407	I219-V375 HydrophobicContact CG2-CB 4.15Å; I219-V375 HydrophobicContact CG2-CG2 4.32Å; I231-V375 HydrophobicContact CG1-CG1 4.37Å; I231-V375 HydrophobicContact CG2-CG1 3.95Å; A370-V375 CarbonylContact C-O 3.59Å; A370-V375 WeakPolarHBondContact CB-O 3.37Å; A370-V375 PolarHBondContact O-N 3.49Å; M373-V375 VanDerWaalsContact C-N 3.26Å; M373-V375 HydrophobicContact CB-CG2 4.11Å; M373-V375 PolarHBondContact O-N 3.46Å; V375-L407 WeakPolarHBondContact O-CD1 3.44Å
376	R	96.3	Very high	95.6	Very high	10 Å²	10	23.7 Å²	23.7	4%	0.038	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.6	176.4	-64.7	168.4	-172.9	136.4	-3.2	111.7	D228 G229 F230 I231 L407 F409 Y523 Y546	D228-R376 VanDerWaalsContact CG-CZ 3.42Å; D228-R376 PolarHBondContact O-NH1 3.5Å; D228-R376 IonicContact OD1-CZ 3.16Å; D228-R376 IonicContact OD1-NE 3.22Å; D228-R376 IonicContact OD1-NH1 2.9Å; D228-R376 PolarHBondContact OD1-NH1 3.46Å; D228-R376 VanDerWaalsContact OD1-NH1 3.13Å; D228-R376 IonicContact OD1-NH2 2.78Å; D228-R376 PolarHBondContact OD1-NH2 3.47Å; D228-R376 IonicContact OD2-CZ 2.83Å; D228-R376 IonicContact OD2-NH1 3.71Å; D228-R376 PolarHBondContact OD2-NH1 3.03Å; D228-R376 IonicContact OD2-NH2 3.99Å; D228-R376 PolarHBondContact OD2-NH2 2.8Å; D228-R376 VanDerWaalsContact OD2-NH2 3.17Å; G229-R376 PolarHBondContact O-N 3Å; F230-R376 CarbonylContact C-O 3.51Å; F230-R376 WeakPolarHBondContact CA-O 3.43Å; F230-R376 HydrophobicContact CD1-CB 3.46Å; F230-R376 VanDerWaalsContact CD1-CB 3.46Å; F230-R376 HydrophobicContact CD1-CG 4.46Å; F230-R376 HydrophobicContact CE1-CB 3.59Å; F230-R376 VanDerWaalsContact CE1-CD 3.46Å; F230-R376 HydrophobicContact CE1-CG 4.2Å; F230-R376 VanDerWaalsContact CE2-NH1 3.34Å; F230-R376 HydrophobicContact CG-CB 4.02Å; F230-R376 HydrophobicContact CZ-CB 4.23Å; F230-R376 HydrophobicContact CZ-CG 4.41Å; I231-R376 PolarHBondContact N-O 3.05Å; R376-L407 CarbonylContact C-O 2.88Å; R376-L407 VanDerWaalsContact CA-O 3.25Å; R376-L407 WeakPolarHBondContact CA-O 3.28Å; R376-L407 WeakPolarHBondContact CB-O 3.36Å; R376-F409 HydrophobicContact CB-CD2 4.49Å; R376-F409 HydrophobicContact CB-CE2 4.34Å; R376-F409 HydrophobicContact CG-CE2 4.27Å; R376-Y523 PolarHBondContact NH1-OH 3.21Å; R376-Y523 PolarHBondContact NH2-OH 2.81Å; R376-Y546 PolarHBondContact NH1-OH 3.05Å
377	L	96.8	Very high	95.5	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.9	175.1	-58.2	-172.1	0	0	0	110.7	I219 I231 I233 L366 A367 A370 L407 I408 F409	I219-L377 HydrophobicContact CD1-CD2 4.02Å; I219-L377 HydrophobicContact CG1-CD2 4.18Å; I231-L377 HydrophobicContact CD1-CD2 3.42Å; I231-L377 VanDerWaalsContact CD1-CD2 3.42Å; I231-L377 HydrophobicContact CG1-CD2 3.23Å; I233-L377 HydrophobicContact CD1-CD1 4.5Å; L366-L377 HydrophobicContact CB-CD1 4.06Å; A367-L377 HydrophobicContact CB-CD1 4.17Å; A370-L377 HydrophobicContact CB-CD1 3.87Å; A370-L377 HydrophobicContact CB-CD2 3.61Å; A370-L377 HydrophobicContact CB-CG 3.52Å; L377-L407 PolarHBondContact N-O 3.14Å; L377-I408 HydrophobicContact CB-CD1 3.73Å; L377-I408 HydrophobicContact CD1-CD1 3.79Å; L377-I408 HydrophobicContact CG-CD1 3.98Å; L377-I408 CarbonylContact O-C 3.58Å; L377-I408 WeakPolarHBondContact O-CA 3.48Å; L377-F409 PolarHBondContact O-N 2.93Å
378	M	96.1	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	111.1	176.5	-166.3	179.6	-57.9	0	0	108.2	I141 F230 I231 A232 I233 D380 F409 K440 M494	I141-M378 HydrophobicContact CD1-CE 3.83Å; I141-M378 HydrophobicContact CD1-SD 4.48Å; I141-M378 HydrophobicContact CG1-CE 3.86Å; I141-M378 HydrophobicContact CG2-CE 4.18Å; I141-M378 HydrophobicContact CG2-SD 4.43Å; F230-M378 HydrophobicContact CB-CE 4.01Å; F230-M378 HydrophobicContact CD1-CE 3.37Å; F230-M378 HydrophobicContact CE1-CE 3.95Å; F230-M378 HydrophobicContact CG-CE 3.82Å; I231-M378 VanDerWaalsContact O-CB 3.31Å; I231-M378 WeakPolarHBondContact O-CB 3.29Å; I231-M378 PolarHBondContact O-N 3.37Å; A232-M378 WeakPolarHBondContact CA-O 3.09Å; I233-M378 PolarHBondContact N-O 3.28Å; M378-D380 PolarHBondContact O-N 2.56Å; M378-F409 HydrophobicContact CG-CB 4.45Å; M378-K440 HydrophobicContact CE-CD 4.4Å; M378-K440 HydrophobicContact CG-CD 3.67Å; M378-K440 HydrophobicContact SD-CD 3.14Å; M378-K440 WeakPolarHBondContact SD-CD 3.37Å; M378-K440 HydrophobicContact SD-CG 4.44Å; M378-K440 PolarHBondContact SD-NZ 3.32Å; M378-M494 HydrophobicContact CE-CE 4.21Å
379	V	96.9	Very high	95.1	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.018	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.2	175.1	-175.8	0	0	0	0	107.6	I233 L235 I390 T394 I408 F409 T411	I233-V379 HydrophobicContact CD1-CG2 4.18Å; I233-V379 HydrophobicContact CG1-CG2 4.15Å; L235-V379 HydrophobicContact CD1-CG1 3.33Å; V379-I390 HydrophobicContact CG1-CG2 3.86Å; V379-T394 HydrophobicContact CB-CG2 3.84Å; V379-T394 WeakPolarHBondContact CB-OG1 3.21Å; V379-T394 VanDerWaalsContact CG1-OG1 3.3Å; V379-T394 WeakPolarHBondContact CG1-OG1 3.3Å; V379-T394 HydrophobicContact CG2-CG2 3.69Å; V379-I408 HydrophobicContact CG2-CG2 4.33Å; V379-F409 PolarHBondContact N-O 3.47Å; V379-T411 VanDerWaalsContact O-CB 3.27Å; V379-T411 WeakPolarHBondContact O-CB 3.23Å; V379-T411 PolarHBondContact O-N 2.91Å; V379-T411 PolarHBondContact O-OG1 3.13Å
380	D	94.9	Very high	95.1	Very high	18 Å²	18	19.3 Å²	19.3	10%	0.096	11%	0.107	C	C	.	.			trans	-72.9	138.3	179.9	-92.2	-4.7	0	0	0	110.8	I233 K234 M378 K440	I233-D380 PolarHBondContact O-N 3.05Å; K234-D380 HydrophobicContact CG-CB 3.82Å; M378-D380 PolarHBondContact O-N 2.56Å; D380-K440 IonicContact OD1-NZ 2.85Å; D380-K440 PolarHBondContact OD1-NZ 2.95Å
381	A	95.5	Very high	95.1	Very high	8 Å²	8	20.3 Å²	20.3	7%	0.066	11%	0.114	C	C	.	.			trans	-70.9	149.5	170.4	0	0	0	0	0	111.2	K234 Q387 T411 Q413	K234-A381 PolarHBondContact NZ-O 2.96Å; A381-Q387 VanDerWaalsContact CB-OE1 3.23Å; A381-T411 HydrophobicContact CB-CG2 3.66Å; A381-Q413 HydrophobicContact CB-CG 3.4Å
382	E	95.1	Very high	94.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.			trans	-125.7	-154.9	-177.4	-56.4	-167.2	-122.7	0	0	109.8	R190 K234 L235 T236 I390 Q413 Y446	R190-E382 IonicContact NH1-OE2 2.76Å; K234-E382 HydrophobicContact CD-CG 4.49Å; K234-E382 HydrophobicContact CG-CG 4.47Å; L235-E382 PolarHBondContact N-OE1 3.2Å; L235-E382 VanDerWaalsContact N-OE1 3.08Å; T236-E382 WeakPolarHBondContact CB-OE2 3.46Å; T236-E382 WeakPolarHBondContact CG2-OE2 3.49Å; T236-E382 PolarHBondContact N-OE1 3.12Å; T236-E382 VanDerWaalsContact N-OE1 3.13Å; T236-E382 VanDerWaalsContact OG1-CD 3.32Å; T236-E382 PolarHBondContact OG1-OE1 3.1Å; T236-E382 PolarHBondContact OG1-OE2 3.38Å; E382-I390 HydrophobicContact CB-CD1 3.73Å; E382-I390 HydrophobicContact CG-CD1 3.74Å; E382-Q413 PolarHBondContact O-NE2 3.05Å; E382-Y446 WeakPolarHBondContact O-CE2 3.42Å
383	Q	94.8	Very high	94.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.			trans	-66.8	154.4	179	-66.8	86.9	-2.5	0	0	112.5	Y385 F386 Q387 Y446 E450	Q383-Y385 HydrophobicContact CB-CD1 3.94Å; Q383-Y385 HydrophobicContact CB-CD2 4.37Å; Q383-Y385 HydrophobicContact CB-CE1 3.41Å; Q383-Y385 VanDerWaalsContact CB-CE1 3.41Å; Q383-Y385 HydrophobicContact CB-CE2 3.9Å; Q383-Y385 HydrophobicContact CB-CG 4.4Å; Q383-Y385 HydrophobicContact CG-CE1 3.95Å; Q383-Y385 WeakPolarHBondContact CG-OH 3.46Å; Q383-Y385 PolarHBondContact O-N 3.49Å; Q383-Y385 VanDerWaalsContact O-N 3.12Å; Q383-F386 HydrophobicContact CB-CD2 4.37Å; Q383-F386 PolarHBondContact O-N 2.89Å; Q383-Q387 PolarHBondContact O-N 2.92Å; Q383-Y446 HydrophobicContact CG-CD1 3.95Å; Q383-Y446 HydrophobicContact CG-CE1 4.22Å; Q383-Y446 HydrophobicContact CG-CG 4.32Å; Q383-E450 WeakPolarHBondContact CA-OE1 3.43Å; Q383-E450 WeakPolarHBondContact CB-OE1 3.45Å
384	T	95.1	Very high	94.9	Very high	8 Å²	8	9.5 Å²	9.5	5%	0.049	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-31	-172	59.5	0	0	0	0	113.7	F386 Q387 P388 L416 E450 P462	T384-F386 VanDerWaalsContact C-N 3.31Å; T384-F386 PolarHBondContact O-N 3Å; T384-Q387 PolarHBondContact O-N 3.22Å; T384-P388 WeakPolarHBondContact O-CD 3.41Å; T384-L416 HydrophobicContact CG2-CD2 3.58Å; T384-E450 WeakPolarHBondContact CB-OE2 3.41Å; T384-E450 VanDerWaalsContact CG2-CD 3.4Å; T384-E450 HydrophobicContact CG2-CG 4Å; T384-E450 WeakPolarHBondContact CG2-OE2 3.4Å; T384-E450 PolarHBondContact N-OE1 2.95Å; T384-E450 VanDerWaalsContact OG1-CD 3.32Å; T384-E450 PolarHBondContact OG1-OE1 2.99Å; T384-E450 PolarHBondContact OG1-OE2 2.9Å; T384-P462 HydrophobicContact CG2-CB 4.28Å; T384-P462 HydrophobicContact CG2-CG 3.86Å
385	Y	94.2	Very high	94.9	Very high	10 Å²	10	8.9 Å²	8.9	4%	0.039	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.4	179.1	50.7	-96.5	0	0	0	114.5	Q180 Y181 R190 L245 S248 Q383	Q180-Y385 WeakPolarHBondContact O-CB 3.07Å; Y181-Y385 WeakPolarHBondContact CD1-O 3.42Å; R190-Y385 WeakPolarHBondContact CD-OH 3.41Å; R190-Y385 WeakPolarHBondContact CG-OH 3.14Å; L245-Y385 HydrophobicContact CD1-CD2 3.6Å; L245-Y385 HydrophobicContact CD1-CE2 4.49Å; L245-Y385 HydrophobicContact CD1-CG 4.19Å; S248-Y385 VanDerWaalsContact CB-O 3.27Å; S248-Y385 WeakPolarHBondContact CB-O 3.44Å; S248-Y385 PolarHBondContact OG-O 2.95Å; Q383-Y385 HydrophobicContact CB-CD1 3.94Å; Q383-Y385 HydrophobicContact CB-CD2 4.37Å; Q383-Y385 HydrophobicContact CB-CE1 3.41Å; Q383-Y385 VanDerWaalsContact CB-CE1 3.41Å; Q383-Y385 HydrophobicContact CB-CE2 3.9Å; Q383-Y385 HydrophobicContact CB-CG 4.4Å; Q383-Y385 HydrophobicContact CG-CE1 3.95Å; Q383-Y385 WeakPolarHBondContact CG-OH 3.46Å; Q383-Y385 PolarHBondContact O-N 3.49Å; Q383-Y385 VanDerWaalsContact O-N 3.12Å
386	F	95.4	Very high	94.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-22.8	168.5	-59.8	-45	0	0	0	112.8	T236 P241 L244 L245 S248 Q383 T384 A389 I390	T236-F386 HydrophobicContact CG2-CD2 4.1Å; T236-F386 HydrophobicContact CG2-CE2 4.13Å; P241-F386 HydrophobicContact CB-CE1 3.87Å; P241-F386 HydrophobicContact CB-CZ 3.73Å; L244-F386 HydrophobicContact CB-CB 4.29Å; L244-F386 HydrophobicContact CB-CD1 3.81Å; L244-F386 HydrophobicContact CB-CG 4.36Å; L245-F386 HydrophobicContact CB-CD1 4.32Å; L245-F386 HydrophobicContact CB-CE1 4.05Å; L245-F386 HydrophobicContact CD1-CD1 4.21Å; L245-F386 HydrophobicContact CD1-CE1 3.86Å; S248-F386 PolarHBondContact OG-O 3.42Å; Q383-F386 HydrophobicContact CB-CD2 4.37Å; Q383-F386 PolarHBondContact O-N 2.89Å; T384-F386 VanDerWaalsContact C-N 3.31Å; T384-F386 PolarHBondContact O-N 3Å; F386-A389 PolarHBondContact O-N 2.95Å; F386-I390 HydrophobicContact CB-CD1 3.78Å; F386-I390 HydrophobicContact CB-CG1 4.39Å; F386-I390 WeakPolarHBondContact O-CG1 3.36Å; F386-I390 PolarHBondContact O-N 3.38Å
387	Q	96.8	Very high	94.4	Very high	12 Å²	12	11.4 Å²	11.4	6%	0.056	6%	0.061	C	C	.	.	H	α-helix	trans	-61.5	-37.4	-166.4	-168.6	58.1	34.9	0	0	114.9	A381 Q383 T384 I390 S391	A381-Q387 VanDerWaalsContact CB-OE1 3.23Å; Q383-Q387 PolarHBondContact O-N 2.92Å; T384-Q387 PolarHBondContact O-N 3.22Å; Q387-I390 PolarHBondContact O-N 3.03Å; Q387-S391 PolarHBondContact NE2-OG 3.27Å; Q387-S391 VanDerWaalsContact O-CB 3.32Å; Q387-S391 WeakPolarHBondContact O-CB 3.24Å; Q387-S391 PolarHBondContact O-N 2.86Å; Q387-S391 PolarHBondContact O-OG 3.27Å
388	P	94.4	Very high	94.4	Very high	40 Å²	40	11.3 Å²	11.3	26%	0.26	6%	0.061	S	C	.	.	H	α-helix	trans	-59.5	-47.7	176.2	-25.5	33.6	0	0	0	112.8	Y181 L251 T384 S391 R392	Y181-P388 HydrophobicContact CE1-CG 4.47Å; L251-P388 HydrophobicContact CB-CB 4.27Å; L251-P388 HydrophobicContact CD1-CB 4.29Å; T384-P388 WeakPolarHBondContact O-CD 3.41Å; P388-S391 PolarHBondContact O-N 3.13Å; P388-R392 WeakPolarHBondContact O-CB 3.41Å; P388-R392 PolarHBondContact O-N 3.5Å
389	A	90.9	Very high	94.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-45.9	176.1	0	0	0	0	0	111.6	L244 F247 S248 F386 S391 R392 L393	L244-A389 HydrophobicContact CB-CB 4.27Å; L244-A389 HydrophobicContact CD2-CB 4.03Å; L244-A389 VanDerWaalsContact O-CB 3.31Å; L244-A389 WeakPolarHBondContact O-CB 3.19Å; F247-A389 HydrophobicContact CB-CB 3.97Å; F247-A389 HydrophobicContact CD1-CB 3.67Å; F247-A389 HydrophobicContact CG-CB 4.14Å; S248-A389 WeakPolarHBondContact OG-CB 3.32Å; S248-A389 PolarHBondContact OG-N 3.46Å; F386-A389 PolarHBondContact O-N 2.95Å; A389-S391 VanDerWaalsContact C-N 3.3Å; A389-S391 PolarHBondContact O-N 3.16Å; A389-R392 PolarHBondContact O-N 3.49Å; A389-L393 WeakPolarHBondContact O-CB 3.33Å; A389-L393 VanDerWaalsContact O-CG 3.24Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 2.89Å
390	I	96.1	Very high	94	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.9	-45.5	178.6	-67.7	173.3	0	0	0	111	L235 L244 V379 E382 F386 Q387 T394	L235-I390 HydrophobicContact CB-CD1 4.46Å; L235-I390 HydrophobicContact CB-CG1 4.07Å; L235-I390 HydrophobicContact CD2-CB 4.17Å; L235-I390 HydrophobicContact CD2-CG1 3.93Å; L235-I390 HydrophobicContact CD2-CG2 4.17Å; L244-I390 HydrophobicContact CD1-CD1 4.39Å; L244-I390 HydrophobicContact CD1-CG1 4.16Å; L244-I390 HydrophobicContact CD2-CG1 4.28Å; V379-I390 HydrophobicContact CG1-CG2 3.86Å; E382-I390 HydrophobicContact CB-CD1 3.73Å; E382-I390 HydrophobicContact CG-CD1 3.74Å; F386-I390 HydrophobicContact CB-CD1 3.78Å; F386-I390 HydrophobicContact CB-CG1 4.39Å; F386-I390 WeakPolarHBondContact O-CG1 3.36Å; F386-I390 PolarHBondContact O-N 3.38Å; Q387-I390 PolarHBondContact O-N 3.03Å; I390-T394 WeakPolarHBondContact O-CB 3.32Å; I390-T394 PolarHBondContact O-N 2.89Å; I390-T394 PolarHBondContact O-OG1 3.16Å
391	S	95.9	Very high	94	Very high	21 Å²	21	20 Å²	20	15%	0.147	10%	0.096	C	C	.	.	H	α-helix	trans	-64.2	-48	-179.9	-54.7	0	0	0	0	110.6	Q387 P388 A389 L393 T394 L395	Q387-S391 PolarHBondContact NE2-OG 3.27Å; Q387-S391 VanDerWaalsContact O-CB 3.32Å; Q387-S391 WeakPolarHBondContact O-CB 3.24Å; Q387-S391 PolarHBondContact O-N 2.86Å; Q387-S391 PolarHBondContact O-OG 3.27Å; P388-S391 PolarHBondContact O-N 3.13Å; A389-S391 VanDerWaalsContact C-N 3.3Å; A389-S391 PolarHBondContact O-N 3.16Å; S391-L393 PolarHBondContact O-N 3.13Å; S391-T394 PolarHBondContact O-N 2.99Å; S391-L395 WeakPolarHBondContact O-CG 3.34Å; S391-L395 PolarHBondContact O-N 2.92Å
392	R	92.1	Very high	94.1	Very high	29 Å²	29	19.6 Å²	19.6	11%	0.109	9%	0.093	C	C	.	.	H	α-helix	trans	-59.1	-48.9	178.5	178.4	55.7	175.7	-153.5	-8.2	112.2	F247 L251 S318 P388 A389 T394 L395 E396	F247-R392 HydrophobicContact CE1-CB 4.31Å; F247-R392 HydrophobicContact CE1-CG 4.02Å; F247-R392 HydrophobicContact CZ-CG 3.89Å; L251-R392 HydrophobicContact CD1-CB 3.75Å; L251-R392 HydrophobicContact CD1-CG 4.2Å; L251-R392 HydrophobicContact CD2-CG 4.49Å; S318-R392 PolarHBondContact O-NH2 3.48Å; P388-R392 WeakPolarHBondContact O-CB 3.41Å; P388-R392 PolarHBondContact O-N 3.5Å; A389-R392 PolarHBondContact O-N 3.49Å; R392-T394 VanDerWaalsContact C-N 3.27Å; R392-T394 PolarHBondContact O-N 2.61Å; R392-L395 PolarHBondContact O-N 3.47Å; R392-E396 IonicContact CZ-OE1 3.94Å; R392-E396 IonicContact NE-OE1 3.25Å; R392-E396 PolarHBondContact NE-OE1 3.32Å; R392-E396 IonicContact NH2-OE1 3.75Å; R392-E396 PolarHBondContact O-N 2.85Å; R392-E396 VanDerWaalsContact O-N 3.09Å
393	L	90.8	Very high	93.9	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.084	12%	0.122	C	C	.	.	H	α-helix	trans	-63.3	-36.2	178.7	-65.7	175.1	0	0	0	111.7	L235 F243 L244 F247 L360 M363 A389 S391 E396 M397	L235-L393 HydrophobicContact CD2-CB 4.13Å; L235-L393 HydrophobicContact CD2-CD1 3.9Å; F243-L393 HydrophobicContact CE1-CD1 3.79Å; F243-L393 HydrophobicContact CZ-CD1 4.36Å; L244-L393 HydrophobicContact CD2-CD1 3.93Å; F247-L393 HydrophobicContact CE1-CD2 4.07Å; F247-L393 HydrophobicContact CE1-CG 4.24Å; L360-L393 HydrophobicContact CD2-CD1 4.23Å; L360-L393 HydrophobicContact CD2-CD2 3.6Å; L360-L393 HydrophobicContact CD2-CG 4.43Å; M363-L393 HydrophobicContact CE-CB 4.25Å; A389-L393 WeakPolarHBondContact O-CB 3.33Å; A389-L393 VanDerWaalsContact O-CG 3.24Å; A389-L393 WeakPolarHBondContact O-CG 3.33Å; A389-L393 PolarHBondContact O-N 2.89Å; S391-L393 PolarHBondContact O-N 3.13Å; L393-E396 PolarHBondContact O-N 3.08Å; L393-M397 WeakPolarHBondContact O-CG 3.43Å; L393-M397 PolarHBondContact O-N 3.37Å; L393-M397 VanDerWaalsContact O-N 3.15Å
394	T	96.6	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-40.7	175.8	-56.4	0	0	0	0	111.8	V379 I390 S391 R392 M397 Q398 I408 N410	V379-T394 HydrophobicContact CB-CG2 3.84Å; V379-T394 WeakPolarHBondContact CB-OG1 3.21Å; V379-T394 VanDerWaalsContact CG1-OG1 3.3Å; V379-T394 WeakPolarHBondContact CG1-OG1 3.3Å; V379-T394 HydrophobicContact CG2-CG2 3.69Å; I390-T394 WeakPolarHBondContact O-CB 3.32Å; I390-T394 PolarHBondContact O-N 2.89Å; I390-T394 PolarHBondContact O-OG1 3.16Å; S391-T394 PolarHBondContact O-N 2.99Å; R392-T394 VanDerWaalsContact C-N 3.27Å; R392-T394 PolarHBondContact O-N 2.61Å; T394-M397 CarbonylContact O-C 3.54Å; T394-M397 WeakPolarHBondContact O-CB 3.31Å; T394-M397 PolarHBondContact O-N 3.37Å; T394-Q398 WeakPolarHBondContact O-CG 3.34Å; T394-Q398 PolarHBondContact O-N 2.84Å; T394-I408 HydrophobicContact CG2-CG2 3.85Å; T394-N410 HydrophobicContact CG2-CB 3.69Å
395	L	93.9	Very high	93.5	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.052	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-39.6	176.3	-67.4	167.5	0	0	0	112	S391 R392 M397 Q398 R399 D426 W435	S391-L395 WeakPolarHBondContact O-CG 3.34Å; S391-L395 PolarHBondContact O-N 2.92Å; R392-L395 PolarHBondContact O-N 3.47Å; L395-M397 PolarHBondContact O-N 3.45Å; L395-Q398 CarbonylContact O-C 3.52Å; L395-Q398 WeakPolarHBondContact O-CB 3.33Å; L395-Q398 PolarHBondContact O-N 2.82Å; L395-Q398 VanDerWaalsContact O-N 3.07Å; L395-R399 WeakPolarHBondContact O-CB 3.45Å; L395-R399 PolarHBondContact O-N 3.36Å; L395-D426 HydrophobicContact CD1-CB 4.38Å; L395-D426 VanDerWaalsContact CD1-CG 3.45Å; L395-D426 WeakPolarHBondContact CD1-OD1 3.47Å; L395-D426 HydrophobicContact CD2-CB 3.91Å; L395-W435 HydrophobicContact CD2-CH2 3.86Å
396	E	89.4	Confident	93.6	Very high	41 Å²	41	37.4 Å²	37.4	19%	0.192	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-36.8	173.5	-66.4	-56.6	153.1	0	0	111.8	R392 L393 R399 K400	R392-E396 IonicContact CZ-OE1 3.94Å; R392-E396 IonicContact NE-OE1 3.25Å; R392-E396 PolarHBondContact NE-OE1 3.32Å; R392-E396 IonicContact NH2-OE1 3.75Å; R392-E396 PolarHBondContact O-N 2.85Å; R392-E396 VanDerWaalsContact O-N 3.09Å; L393-E396 PolarHBondContact O-N 3.08Å; E396-R399 IonicContact OE1-CZ 2.71Å; E396-R399 IonicContact OE1-NH1 2.68Å; E396-R399 PolarHBondContact OE1-NH1 2.97Å; E396-R399 IonicContact OE1-NH2 3.13Å; E396-R399 IonicContact OE2-CZ 3.58Å; E396-R399 IonicContact OE2-NE 3.33Å; E396-R399 IonicContact OE2-NH1 3.21Å; E396-R399 PolarHBondContact OE2-NH1 3.45Å; E396-K400 WeakPolarHBondContact O-CB 3.21Å; E396-K400 PolarHBondContact O-N 3.27Å
397	M	91.7	Very high	93.6	Very high	22 Å²	22	38 Å²	38	11%	0.108	18%	0.184	C	C	.	.	H	α-helix	trans	-68.6	-37.6	172.2	-64	-62.1	-71	0	0	112.4	M363 A367 L393 T394 L395 K400 F401 I408	M363-M397 HydrophobicContact CB-CE 4.13Å; M363-M397 HydrophobicContact CB-SD 4.34Å; M363-M397 HydrophobicContact CE-CG 3.79Å; M363-M397 WeakPolarHBondContact O-CE 3.45Å; A367-M397 HydrophobicContact CB-CE 3.37Å; L393-M397 WeakPolarHBondContact O-CG 3.43Å; L393-M397 PolarHBondContact O-N 3.37Å; L393-M397 VanDerWaalsContact O-N 3.15Å; T394-M397 CarbonylContact O-C 3.54Å; T394-M397 WeakPolarHBondContact O-CB 3.31Å; T394-M397 PolarHBondContact O-N 3.37Å; L395-M397 PolarHBondContact O-N 3.45Å; M397-K400 PolarHBondContact O-N 2.94Å; M397-F401 HydrophobicContact CE-CD2 3.7Å; M397-F401 HydrophobicContact CE-CE2 3.33Å; M397-F401 HydrophobicContact CE-CZ 4.31Å; M397-F401 WeakPolarHBondContact O-CB 3.48Å; M397-F401 WeakPolarHBondContact O-CD2 3.36Å; M397-F401 PolarHBondContact O-N 3.21Å; M397-F401 HydrophobicContact SD-CD2 4.35Å; M397-F401 HydrophobicContact SD-CE2 4.02Å; M397-I408 HydrophobicContact CB-CG1 4.25Å; M397-I408 HydrophobicContact CB-CG2 4.09Å
398	Q	97	Very high	93.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-48.9	172.6	-65	-161.2	35.2	0	0	110.9	T394 L395 K400 F401 N402 I408 N410 W435 G438	T394-Q398 WeakPolarHBondContact O-CG 3.34Å; T394-Q398 PolarHBondContact O-N 2.84Å; L395-Q398 CarbonylContact O-C 3.52Å; L395-Q398 WeakPolarHBondContact O-CB 3.33Å; L395-Q398 PolarHBondContact O-N 2.82Å; L395-Q398 VanDerWaalsContact O-N 3.07Å; Q398-K400 PolarHBondContact O-N 3.46Å; Q398-F401 PolarHBondContact O-N 3.02Å; Q398-N402 HydrophobicContact CB-CB 4.42Å; Q398-N402 WeakPolarHBondContact CB-ND2 3.46Å; Q398-N402 WeakPolarHBondContact CG-ND2 3.24Å; Q398-N402 WeakPolarHBondContact O-CA 3.13Å; Q398-N402 WeakPolarHBondContact O-CB 3.48Å; Q398-N402 PolarHBondContact O-N 2.91Å; Q398-N402 PolarHBondContact OE1-ND2 3Å; Q398-I408 HydrophobicContact CG-CB 3.98Å; Q398-I408 HydrophobicContact CG-CG2 4.03Å; Q398-N410 VanDerWaalsContact NE2-N 3.18Å; Q398-W435 HydrophobicContact CB-CE3 3.88Å; Q398-W435 HydrophobicContact CB-CH2 4.23Å; Q398-W435 HydrophobicContact CB-CZ3 3.65Å; Q398-W435 HydrophobicContact CG-CZ3 4.43Å; Q398-W435 VanDerWaalsContact OE1-CZ3 3.28Å; Q398-G438 PolarHBondContact NE2-O 2.94Å
399	R	91.8	Very high	93.9	Very high	46 Å²	46	35.7 Å²	35.7	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-52.9	-42	176.1	-176.7	-170.8	-75.7	164.5	-8.8	111.7	L395 E396 E433 W435	L395-R399 WeakPolarHBondContact O-CB 3.45Å; L395-R399 PolarHBondContact O-N 3.36Å; E396-R399 IonicContact OE1-CZ 2.71Å; E396-R399 IonicContact OE1-NH1 2.68Å; E396-R399 PolarHBondContact OE1-NH1 2.97Å; E396-R399 IonicContact OE1-NH2 3.13Å; E396-R399 IonicContact OE2-CZ 3.58Å; E396-R399 IonicContact OE2-NE 3.33Å; E396-R399 IonicContact OE2-NH1 3.21Å; E396-R399 PolarHBondContact OE2-NH1 3.45Å; R399-E433 IonicContact CZ-OE1 3.82Å; R399-E433 IonicContact CZ-OE2 2.71Å; R399-E433 IonicContact NE-OE1 3Å; R399-E433 IonicContact NE-OE2 3.93Å; R399-E433 PolarHBondContact NE-OE2 2.69Å; R399-E433 VanDerWaalsContact NH2-CD 3.29Å; R399-E433 IonicContact NH2-OE1 3.41Å; R399-E433 PolarHBondContact NH2-OE1 3.3Å; R399-E433 IonicContact NH2-OE2 2.75Å; R399-E433 PolarHBondContact NH2-OE2 3Å; R399-E433 VanDerWaalsContact NH2-OE2 3.12Å; R399-W435 HydrophobicContact CB-CG 4.42Å
400	K	91.3	Very high	94.2	Very high	121 Å²	121	35.7 Å²	35.7	53%	0.526	17%	0.17	S	C	.	.	H	α-helix	trans	-77.5	-41.1	-178.4	-174.2	174.3	179.3	-175.1	0	114.3	D364 E396 M397 Q398	D364-K400 IonicContact OD1-NZ 3.12Å; D364-K400 PolarHBondContact OD1-NZ 3.49Å; E396-K400 WeakPolarHBondContact O-CB 3.21Å; E396-K400 PolarHBondContact O-N 3.27Å; M397-K400 PolarHBondContact O-N 2.94Å; Q398-K400 PolarHBondContact O-N 3.46Å
401	F	95.9	Very high	94.3	Very high	36 Å²	36	35.9 Å²	35.9	16%	0.158	17%	0.171	C	C	.	.	H	α-helix	trans	-110.3	-21.6	-168.6	-69.5	-83.3	0	0	0	114.5	D364 A367 K368 M397 Q398 V403 L407 I408	D364-F401 WeakPolarHBondContact OD1-CZ 3.42Å; A367-F401 HydrophobicContact CB-CD1 4.07Å; A367-F401 HydrophobicContact CB-CD2 3.74Å; A367-F401 HydrophobicContact CB-CE1 3.89Å; A367-F401 HydrophobicContact CB-CE2 3.55Å; A367-F401 HydrophobicContact CB-CG 4Å; A367-F401 HydrophobicContact CB-CZ 3.62Å; K368-F401 HydrophobicContact CG-CE1 4.04Å; K368-F401 HydrophobicContact CG-CZ 4.23Å; M397-F401 HydrophobicContact CE-CD2 3.7Å; M397-F401 HydrophobicContact CE-CE2 3.33Å; M397-F401 HydrophobicContact CE-CZ 4.31Å; M397-F401 WeakPolarHBondContact O-CB 3.48Å; M397-F401 WeakPolarHBondContact O-CD2 3.36Å; M397-F401 PolarHBondContact O-N 3.21Å; M397-F401 HydrophobicContact SD-CD2 4.35Å; M397-F401 HydrophobicContact SD-CE2 4.02Å; Q398-F401 PolarHBondContact O-N 3.02Å; F401-V403 VanDerWaalsContact C-N 3.26Å; F401-V403 PolarHBondContact O-N 3.39Å; F401-V403 VanDerWaalsContact O-N 3.09Å; F401-L407 HydrophobicContact CB-CD2 4Å; F401-I408 HydrophobicContact CB-CG1 4.09Å
402	N	97.1	Very high	94.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.			trans	-88.2	56.2	-179.9	-62.8	-2	0	0	0	111.6	Q398 K405 L407 I408 C436	Q398-N402 HydrophobicContact CB-CB 4.42Å; Q398-N402 WeakPolarHBondContact CB-ND2 3.46Å; Q398-N402 WeakPolarHBondContact CG-ND2 3.24Å; Q398-N402 WeakPolarHBondContact O-CA 3.13Å; Q398-N402 WeakPolarHBondContact O-CB 3.48Å; Q398-N402 PolarHBondContact O-N 2.91Å; Q398-N402 PolarHBondContact OE1-ND2 3Å; N402-K405 WeakPolarHBondContact CA-O 3.23Å; N402-L407 WeakPolarHBondContact OD1-CA 3.47Å; N402-L407 PolarHBondContact OD1-N 3.24Å; N402-I408 PolarHBondContact ND2-O 3.01Å; N402-I408 PolarHBondContact OD1-N 2.91Å; N402-C436 HydrophobicContact CB-CB 4.06Å; N402-C436 WeakPolarHBondContact CB-O 3.37Å; N402-C436 PolarHBondContact ND2-O 3.4Å; N402-C436 WeakPolarHBondContact O-CB 3.38Å; N402-C436 PolarHBondContact O-N 3.22Å
403	V	90.8	Very high	94.7	Very high	99 Å²	99	34.3 Å²	34.3	60%	0.6	16%	0.162	S	C	*	.	S	Bend	trans	-77.2	-61.3	-178.4	-176.3	0	0	0	0	111	F401 C436	F401-V403 VanDerWaalsContact C-N 3.26Å; F401-V403 PolarHBondContact O-N 3.39Å; F401-V403 VanDerWaalsContact O-N 3.09Å; V403-C436 PolarHBondContact O-SG 3.3Å
404	E	90.3	Very high	95.1	Very high	183 Å²	183	33.5 Å²	33.5	86%	0.855	16%	0.158	S	C	*	.	S	Bend	trans	-89.2	-34.3	-176.9	-63.2	-178.2	173.2	0	0	113.3
405	K	92.3	Very high	95.1	Very high	106 Å²	106	33.5 Å²	33.5	46%	0.461	16%	0.158	S	C	.	.	S	Bend	trans	-151.1	154.4	-179	61.8	-178.3	178	179.1	0	110.1	N402 L407	N402-K405 WeakPolarHBondContact CA-O 3.23Å; K405-L407 PolarHBondContact O-N 2.92Å; K405-L407 VanDerWaalsContact O-N 3.09Å
406	P	95.1	Very high	95.3	Very high	4 Å²	4	34 Å²	34	3%	0.026	16%	0.161	C	C	.	.			trans	-62.1	114.4	172.4	-26.4	38.1	0	0	0	111.6	F409 C436 F437 K492	P406-F409 HydrophobicContact CB-CE2 3.78Å; P406-F409 HydrophobicContact CB-CZ 3.85Å; P406-C436 HydrophobicContact CG-CB 3.79Å; P406-F437 VanDerWaalsContact CG-O 3.3Å; P406-F437 WeakPolarHBondContact CG-O 3.26Å; P406-K492 HydrophobicContact CB-CB 4.39Å; P406-K492 HydrophobicContact CG-CB 3.99Å; P406-K492 HydrophobicContact CG-CD 4.15Å; P406-K492 HydrophobicContact CG-CG 3.79Å
407	L	95.9	Very high	95.6	Very high	12 Å²	12	35.9 Å²	35.9	6%	0.063	17%	0.168	C	C	.	.			trans	-99.7	-45.9	171.7	-176.3	80.7	0	0	0	110.1	T371 V375 R376 L377 F401 N402 K405	T371-L407 WeakPolarHBondContact OG1-CD2 3.26Å; V375-L407 WeakPolarHBondContact O-CD1 3.44Å; R376-L407 CarbonylContact C-O 2.88Å; R376-L407 VanDerWaalsContact CA-O 3.25Å; R376-L407 WeakPolarHBondContact CA-O 3.28Å; R376-L407 WeakPolarHBondContact CB-O 3.36Å; L377-L407 PolarHBondContact N-O 3.14Å; F401-L407 HydrophobicContact CB-CD2 4Å; N402-L407 WeakPolarHBondContact OD1-CA 3.47Å; N402-L407 PolarHBondContact OD1-N 3.24Å; K405-L407 PolarHBondContact O-N 2.92Å; K405-L407 VanDerWaalsContact O-N 3.09Å
408	I	97.9	Very high	95.8	Very high	3 Å²	3	39 Å²	39	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	132.6	-179.6	-49.6	-57.5	0	0	0	109.1	A367 L377 V379 T394 M397 Q398 F401 N402	A367-I408 HydrophobicContact CB-CD1 4.02Å; L377-I408 HydrophobicContact CB-CD1 3.73Å; L377-I408 HydrophobicContact CD1-CD1 3.79Å; L377-I408 HydrophobicContact CG-CD1 3.98Å; L377-I408 CarbonylContact O-C 3.58Å; L377-I408 WeakPolarHBondContact O-CA 3.48Å; V379-I408 HydrophobicContact CG2-CG2 4.33Å; T394-I408 HydrophobicContact CG2-CG2 3.85Å; M397-I408 HydrophobicContact CB-CG1 4.25Å; M397-I408 HydrophobicContact CB-CG2 4.09Å; Q398-I408 HydrophobicContact CG-CB 3.98Å; Q398-I408 HydrophobicContact CG-CG2 4.03Å; F401-I408 HydrophobicContact CB-CG1 4.09Å; N402-I408 PolarHBondContact ND2-O 3.01Å; N402-I408 PolarHBondContact OD1-N 2.91Å
409	F	98.4	Very high	95.8	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.8	179.4	-76.3	-113.6	0	0	0	110.1	F230 R376 L377 M378 V379 P406 G438 A439 K492 Y523	F230-F409 HydrophobicContact CE1-CD1 4.29Å; F230-F409 AromaticContact CE1-CD2 3.78Å; F230-F409 HydrophobicContact CE1-CD2 3.78Å; F230-F409 HydrophobicContact CE1-CE1 4.22Å; F230-F409 AromaticContact CE1-CE2 3.71Å; F230-F409 HydrophobicContact CE1-CE2 3.71Å; F230-F409 HydrophobicContact CE1-CG 4.1Å; F230-F409 AromaticContact CE1-CZ 3.94Å; F230-F409 HydrophobicContact CE1-CZ 3.94Å; F230-F409 HydrophobicContact CZ-CE1 4.36Å; F230-F409 HydrophobicContact CZ-CE2 4.16Å; F230-F409 HydrophobicContact CZ-CZ 4.01Å; R376-F409 HydrophobicContact CB-CD2 4.49Å; R376-F409 HydrophobicContact CB-CE2 4.34Å; R376-F409 HydrophobicContact CG-CE2 4.27Å; L377-F409 PolarHBondContact O-N 2.93Å; M378-F409 HydrophobicContact CG-CB 4.45Å; V379-F409 PolarHBondContact N-O 3.47Å; P406-F409 HydrophobicContact CB-CE2 3.78Å; P406-F409 HydrophobicContact CB-CZ 3.85Å; F409-G438 WeakPolarHBondContact CA-O 3.33Å; F409-A439 WeakPolarHBondContact CD1-O 2.81Å; F409-K492 HydrophobicContact CE1-CB 4.22Å; F409-K492 HydrophobicContact CZ-CB 4.1Å; F409-Y523 HydrophobicContact CE1-CD2 4.4Å; F409-Y523 HydrophobicContact CE1-CE2 4.26Å; F409-Y523 HydrophobicContact CZ-CE2 4.05Å
410	N	98.4	Very high	96.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.7	170.6	-169.5	23.2	0	0	0	110.5	T394 Q398 Y412 G438 A439 K440	T394-N410 HydrophobicContact CG2-CB 3.69Å; Q398-N410 VanDerWaalsContact NE2-N 3.18Å; N410-Y412 HydrophobicContact CB-CE2 3.95Å; N410-Y412 VanDerWaalsContact ND2-CZ 3.34Å; N410-Y412 PolarHBondContact ND2-OH 2.9Å; N410-G438 PolarHBondContact N-O 3.48Å; N410-A439 CarbonylContact O-C 3.42Å; N410-A439 WeakPolarHBondContact O-CA 3.44Å; N410-K440 PolarHBondContact O-N 3.46Å
411	T	98.4	Very high	96.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.018	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	119.7	178.7	-61.5	0	0	0	0	110.6	V379 A381 K440 V442	V379-T411 VanDerWaalsContact O-CB 3.27Å; V379-T411 WeakPolarHBondContact O-CB 3.23Å; V379-T411 PolarHBondContact O-N 2.91Å; V379-T411 PolarHBondContact O-OG1 3.13Å; A381-T411 HydrophobicContact CB-CG2 3.66Å; T411-K440 CarbonylContact C-O 3.52Å; T411-K440 WeakPolarHBondContact CA-O 3.28Å; T411-K440 HydrophobicContact CG2-CD 4.24Å; T411-K440 HydrophobicContact CG2-CG 4.12Å; T411-V442 HydrophobicContact CG2-CG1 4.2Å; T411-V442 HydrophobicContact CG2-CG2 3.71Å
412	Y	98.6	Very high	96.2	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.035	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.4	175.1	-59.1	-93.6	0	0	0	110.1	N410 N422 V423 D426 F437 A439 K440 L441 V442	N410-Y412 HydrophobicContact CB-CE2 3.95Å; N410-Y412 VanDerWaalsContact ND2-CZ 3.34Å; N410-Y412 PolarHBondContact ND2-OH 2.9Å; Y412-N422 HydrophobicContact CD1-CB 4.33Å; Y412-N422 HydrophobicContact CE1-CB 4.34Å; Y412-V423 HydrophobicContact CD1-CB 3.97Å; Y412-V423 HydrophobicContact CD1-CG2 4.36Å; Y412-V423 HydrophobicContact CD2-CG2 4.32Å; Y412-V423 HydrophobicContact CE1-CB 4.12Å; Y412-V423 HydrophobicContact CE1-CG2 4.38Å; Y412-V423 HydrophobicContact CE2-CG2 4.34Å; Y412-V423 HydrophobicContact CG-CB 4.33Å; Y412-V423 HydrophobicContact CG-CG2 4.35Å; Y412-D426 VanDerWaalsContact CE1-OD2 3.24Å; Y412-D426 WeakPolarHBondContact CE1-OD2 3.42Å; Y412-D426 VanDerWaalsContact CZ-OD2 3.3Å; Y412-D426 VanDerWaalsContact OH-CB 3.24Å; Y412-D426 WeakPolarHBondContact OH-CB 3.35Å; Y412-D426 PolarHBondContact OH-OD2 3.3Å; Y412-F437 HydrophobicContact CE2-CE2 4.45Å; Y412-F437 AromaticContact CE2-CZ 3.84Å; Y412-F437 HydrophobicContact CE2-CZ 3.84Å; Y412-F437 AromaticContact CZ-CZ 3.92Å; Y412-F437 WeakPolarHBondContact OH-CE2 3.29Å; Y412-A439 HydrophobicContact CD2-CB 3.97Å; Y412-A439 HydrophobicContact CE2-CB 3.77Å; Y412-K440 PolarHBondContact N-O 3.34Å; Y412-L441 HydrophobicContact CD2-CD2 4.09Å; Y412-L441 HydrophobicContact CG-CD2 4.21Å; Y412-V442 WeakPolarHBondContact O-CG2 3.34Å; Y412-V442 PolarHBondContact O-N 3.41Å
413	Q	98.1	Very high	96.3	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	103.3	-178.4	-54.3	166.7	-49.9	0	0	110.3	A381 E382 Y415 L416 A419 V442 R443	A381-Q413 HydrophobicContact CB-CG 3.4Å; E382-Q413 PolarHBondContact O-NE2 3.05Å; Q413-Y415 HydrophobicContact CB-CD1 3.54Å; Q413-Y415 HydrophobicContact CB-CE1 3.43Å; Q413-Y415 VanDerWaalsContact CB-CE1 3.43Å; Q413-Y415 HydrophobicContact CG-CE1 4.14Å; Q413-Y415 PolarHBondContact O-N 3.09Å; Q413-L416 HydrophobicContact CB-CD1 4.24Å; Q413-L416 HydrophobicContact CB-CG 4.27Å; Q413-L416 WeakPolarHBondContact O-CB 3.34Å; Q413-L416 WeakPolarHBondContact O-CG 3.24Å; Q413-L416 PolarHBondContact O-N 2.96Å; Q413-L416 VanDerWaalsContact O-N 3.1Å; Q413-A419 WeakPolarHBondContact O-CB 3.45Å; Q413-V442 HydrophobicContact CB-CG2 4.33Å; Q413-V442 HydrophobicContact CG-CG2 4Å; Q413-R443 CarbonylContact C-O 3.47Å
414	C	98.4	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.4	-174	-57.6	0	0	0	0	114.9	V442 R443 N464 M473 Y474	C414-V442 WeakPolarHBondContact CB-O 3.33Å; C414-V442 PolarHBondContact N-O 2.63Å; C414-V442 PolarHBondContact SG-O 2.84Å; C414-R443 PolarHBondContact N-O 3.39Å; C414-R443 VanDerWaalsContact N-O 3.11Å; C414-N464 PolarHBondContact O-ND2 3.03Å; C414-M473 HydrophobicContact CB-CG 4.25Å; C414-M473 WeakPolarHBondContact O-CB 3.46Å; C414-M473 WeakPolarHBondContact O-CG 3.09Å; C414-Y474 HydrophobicContact CB-CD2 3.83Å; C414-Y474 HydrophobicContact CB-CG 4.18Å
415	Y	97.2	Very high	96.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.3	165	83	-47.5	0	0	0	112.9	Q413 R443 L447 E450 I463 N464	Q413-Y415 HydrophobicContact CB-CD1 3.54Å; Q413-Y415 HydrophobicContact CB-CE1 3.43Å; Q413-Y415 VanDerWaalsContact CB-CE1 3.43Å; Q413-Y415 HydrophobicContact CG-CE1 4.14Å; Q413-Y415 PolarHBondContact O-N 3.09Å; Y415-R443 WeakPolarHBondContact CB-O 3.26Å; Y415-R443 VanDerWaalsContact CD1-O 3.23Å; Y415-R443 WeakPolarHBondContact CD1-O 3.39Å; Y415-R443 PolarHBondContact N-O 3.16Å; Y415-L447 HydrophobicContact CD2-CB 4.22Å; Y415-L447 HydrophobicContact CD2-CD1 3.36Å; Y415-L447 HydrophobicContact CD2-CG 3.39Å; Y415-L447 HydrophobicContact CE2-CB 4.47Å; Y415-L447 HydrophobicContact CE2-CD1 3.83Å; Y415-L447 HydrophobicContact CE2-CG 4.04Å; Y415-L447 HydrophobicContact CG-CD1 3.75Å; Y415-L447 HydrophobicContact CG-CG 4.07Å; Y415-E450 HydrophobicContact CE2-CB 4.49Å; Y415-E450 HydrophobicContact CE2-CG 4.08Å; Y415-E450 WeakPolarHBondContact OH-CG 3.34Å; Y415-I463 HydrophobicContact CD2-CB 3.82Å; Y415-I463 HydrophobicContact CD2-CD1 4.4Å; Y415-I463 HydrophobicContact CD2-CG2 3.36Å; Y415-I463 HydrophobicContact CE2-CB 4.32Å; Y415-I463 HydrophobicContact CE2-CG2 3.35Å; Y415-I463 HydrophobicContact CG-CG2 4.33Å; Y415-I463 CarbonylContact O-C 3.53Å; Y415-I463 VanDerWaalsContact O-CA 3.24Å; Y415-I463 WeakPolarHBondContact O-CA 3.49Å; Y415-I463 WeakPolarHBondContact O-CB 3.5Å; Y415-N464 VanDerWaalsContact C-ND2 3.34Å; Y415-N464 PolarHBondContact O-N 3.17Å; Y415-N464 PolarHBondContact O-ND2 3.34Å
416	L	97.6	Very high	96.9	Very high	19 Å²	19	18.5 Å²	18.5	10%	0.099	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-81.5	148.2	177.7	-57.5	179.8	0	0	0	111.1	T384 Q413 D418 A419 P462 I463 N464	T384-L416 HydrophobicContact CG2-CD2 3.58Å; Q413-L416 HydrophobicContact CB-CD1 4.24Å; Q413-L416 HydrophobicContact CB-CG 4.27Å; Q413-L416 WeakPolarHBondContact O-CB 3.34Å; Q413-L416 WeakPolarHBondContact O-CG 3.24Å; Q413-L416 PolarHBondContact O-N 2.96Å; Q413-L416 VanDerWaalsContact O-N 3.1Å; L416-D418 VanDerWaalsContact C-N 3.3Å; L416-A419 HydrophobicContact CB-CB 4.4Å; L416-A419 WeakPolarHBondContact O-CB 3.35Å; L416-A419 PolarHBondContact O-N 2.78Å; L416-P462 WeakPolarHBondContact CA-O 3.45Å; L416-P462 HydrophobicContact CD2-CB 4.46Å; L416-I463 HydrophobicContact CD2-CG2 4.19Å; L416-N464 PolarHBondContact O-ND2 3.1Å
417	K	96.3	Very high	96.9	Very high	81 Å²	81	18.4 Å²	18.4	35%	0.352	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-37.2	173.9	-69.1	169.8	173	171.5	0	112	A419 E460 D461 P462 I463 M473	K417-A419 VanDerWaalsContact C-N 3.32Å; K417-A419 PolarHBondContact O-N 2.72Å; K417-E460 IonicContact NZ-OE1 3.6Å; K417-E460 PolarHBondContact NZ-OE1 2.98Å; K417-D461 VanDerWaalsContact CE-O 3.23Å; K417-D461 WeakPolarHBondContact CE-O 3.12Å; K417-D461 PolarHBondContact NZ-O 2.75Å; K417-P462 PolarHBondContact N-O 3.2Å; K417-I463 WeakPolarHBondContact CE-O 3.45Å; K417-M473 VanDerWaalsContact O-CE 3.24Å; K417-M473 WeakPolarHBondContact O-CE 3.48Å
418	D	94.6	Very high	96.9	Very high	87 Å²	87	19.9 Å²	19.9	47%	0.465	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3.1	-176	-58.6	-22.6	0	0	0	114.1	L416 Y420 D421 N422	L416-D418 VanDerWaalsContact C-N 3.3Å; D418-Y420 VanDerWaalsContact C-N 3.25Å; D418-Y420 PolarHBondContact O-N 2.75Å; D418-D421 PolarHBondContact O-N 2.99Å; D418-N422 WeakPolarHBondContact O-CB 3.19Å; D418-N422 PolarHBondContact O-N 2.87Å; D418-N422 PolarHBondContact O-ND2 3.18Å
419	A	97.5	Very high	96.6	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.017	10%	0.101	C	C	.	.	H	α-helix	trans	-59.6	-35.8	-172.3	0	0	0	0	0	113.2	Q413 L416 K417 V423 M473	Q413-A419 WeakPolarHBondContact O-CB 3.45Å; L416-A419 HydrophobicContact CB-CB 4.4Å; L416-A419 WeakPolarHBondContact O-CB 3.35Å; L416-A419 PolarHBondContact O-N 2.78Å; K417-A419 VanDerWaalsContact C-N 3.32Å; K417-A419 PolarHBondContact O-N 2.72Å; A419-V423 WeakPolarHBondContact O-CG1 3.2Å; A419-V423 PolarHBondContact O-N 3.01Å; A419-V423 VanDerWaalsContact O-N 3.17Å; A419-M473 HydrophobicContact CB-CG 3.98Å; A419-M473 HydrophobicContact CB-SD 4.25Å
420	Y	97.4	Very high	96.4	Very high	44 Å²	44	20.7 Å²	20.7	17%	0.173	10%	0.103	C	C	.	.	H	α-helix	trans	-70.5	-47.7	177.6	-174.6	-100.5	0	0	0	111.9	D418 N422 V423 T424 R476 Y480	D418-Y420 VanDerWaalsContact C-N 3.25Å; D418-Y420 PolarHBondContact O-N 2.75Å; Y420-N422 VanDerWaalsContact C-N 3.31Å; Y420-N422 PolarHBondContact O-N 2.77Å; Y420-V423 WeakPolarHBondContact O-CG1 3.37Å; Y420-V423 PolarHBondContact O-N 3.27Å; Y420-T424 HydrophobicContact CD1-CG2 4.12Å; Y420-T424 HydrophobicContact CD2-CG2 4.24Å; Y420-T424 HydrophobicContact CE1-CG2 3.74Å; Y420-T424 HydrophobicContact CE2-CG2 3.86Å; Y420-T424 HydrophobicContact CG-CG2 4.38Å; Y420-T424 WeakPolarHBondContact O-CB 3.4Å; Y420-T424 VanDerWaalsContact O-CG2 3.32Å; Y420-T424 WeakPolarHBondContact O-CG2 3.31Å; Y420-T424 PolarHBondContact O-N 3.45Å; Y420-T424 PolarHBondContact O-OG1 3.5Å; Y420-R476 HydrophobicContact CD2-CB 4.3Å; Y420-R476 HydrophobicContact CD2-CG 3.58Å; Y420-R476 HydrophobicContact CE2-CG 3.56Å; Y420-R476 HydrophobicContact CG-CG 4.4Å; Y420-Y480 HydrophobicContact CE2-CG 4.45Å
421	D	95	Very high	96.1	Very high	40 Å²	40	24.8 Å²	24.8	21%	0.214	12%	0.118	C	C	.	.	H	α-helix	trans	-60.8	-45.5	178.9	-70.9	3.7	0	0	0	110.3	R255 A272 D418 V423 T424 L425	R255-D421 IonicContact NH2-OD2 3.67Å; A272-D421 HydrophobicContact CB-CB 4.06Å; D418-D421 PolarHBondContact O-N 2.99Å; D421-V423 PolarHBondContact O-N 3.26Å; D421-T424 PolarHBondContact O-N 3.13Å; D421-T424 PolarHBondContact O-OG1 2.61Å; D421-L425 HydrophobicContact CB-CD1 4.38Å; D421-L425 VanDerWaalsContact O-CB 3.23Å; D421-L425 WeakPolarHBondContact O-CB 3.19Å; D421-L425 VanDerWaalsContact O-CD1 3.28Å; D421-L425 WeakPolarHBondContact O-CD1 3.33Å; D421-L425 WeakPolarHBondContact O-CG 3.49Å; D421-L425 PolarHBondContact O-N 3.16Å
422	N	95.8	Very high	95.8	Very high	45 Å²	45	29.8 Å²	29.8	24%	0.241	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-45.6	179.2	-65.9	-18	0	0	0	112.5	R255 Y412 D418 Y420 D426	R255-N422 PolarHBondContact NH1-OD1 3.02Å; Y412-N422 HydrophobicContact CD1-CB 4.33Å; Y412-N422 HydrophobicContact CE1-CB 4.34Å; D418-N422 WeakPolarHBondContact O-CB 3.19Å; D418-N422 PolarHBondContact O-N 2.87Å; D418-N422 PolarHBondContact O-ND2 3.18Å; Y420-N422 VanDerWaalsContact C-N 3.31Å; Y420-N422 PolarHBondContact O-N 2.77Å; N422-D426 WeakPolarHBondContact O-CB 3.36Å; N422-D426 PolarHBondContact O-N 3.15Å; N422-D426 VanDerWaalsContact O-N 3.11Å
423	V	97.3	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-69.7	-37.7	-179.2	74.6	0	0	0	0	112	Y412 A419 Y420 D421 V427 F437 L441 C477 V481	Y412-V423 HydrophobicContact CD1-CB 3.97Å; Y412-V423 HydrophobicContact CD1-CG2 4.36Å; Y412-V423 HydrophobicContact CD2-CG2 4.32Å; Y412-V423 HydrophobicContact CE1-CB 4.12Å; Y412-V423 HydrophobicContact CE1-CG2 4.38Å; Y412-V423 HydrophobicContact CE2-CG2 4.34Å; Y412-V423 HydrophobicContact CG-CB 4.33Å; Y412-V423 HydrophobicContact CG-CG2 4.35Å; A419-V423 WeakPolarHBondContact O-CG1 3.2Å; A419-V423 PolarHBondContact O-N 3.01Å; A419-V423 VanDerWaalsContact O-N 3.17Å; Y420-V423 WeakPolarHBondContact O-CG1 3.37Å; Y420-V423 PolarHBondContact O-N 3.27Å; D421-V423 PolarHBondContact O-N 3.26Å; V423-V427 WeakPolarHBondContact O-CB 3.21Å; V423-V427 WeakPolarHBondContact O-CG2 3.3Å; V423-V427 PolarHBondContact O-N 3.32Å; V423-V427 VanDerWaalsContact O-N 3.09Å; V423-F437 HydrophobicContact CG2-CZ 4.32Å; V423-L441 HydrophobicContact CG2-CD2 4.48Å; V423-C477 HydrophobicContact CG1-CB 4.02Å; V423-V481 HydrophobicContact CG2-CG2 3.61Å
424	T	96.2	Very high	95.1	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-70.1	-44.7	-179.8	53.6	0	0	0	0	111.9	Y420 D421 D426 V427 E428 Y480	Y420-T424 HydrophobicContact CD1-CG2 4.12Å; Y420-T424 HydrophobicContact CD2-CG2 4.24Å; Y420-T424 HydrophobicContact CE1-CG2 3.74Å; Y420-T424 HydrophobicContact CE2-CG2 3.86Å; Y420-T424 HydrophobicContact CG-CG2 4.38Å; Y420-T424 WeakPolarHBondContact O-CB 3.4Å; Y420-T424 VanDerWaalsContact O-CG2 3.32Å; Y420-T424 WeakPolarHBondContact O-CG2 3.31Å; Y420-T424 PolarHBondContact O-N 3.45Å; Y420-T424 PolarHBondContact O-OG1 3.5Å; D421-T424 PolarHBondContact O-N 3.13Å; D421-T424 PolarHBondContact O-OG1 2.61Å; T424-D426 PolarHBondContact O-N 3.04Å; T424-V427 PolarHBondContact O-N 3.29Å; T424-E428 WeakPolarHBondContact O-CB 3.25Å; T424-E428 PolarHBondContact O-N 2.95Å; T424-Y480 HydrophobicContact CG2-CD1 3.69Å; T424-Y480 HydrophobicContact CG2-CD2 3.72Å; T424-Y480 HydrophobicContact CG2-CE1 3.65Å; T424-Y480 HydrophobicContact CG2-CE2 3.66Å; T424-Y480 HydrophobicContact CG2-CG 3.71Å
425	L	94.7	Very high	94.9	Very high	8 Å²	8	35 Å²	35	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-56.4	-47.7	173.6	-78.2	160.5	0	0	0	111.7	A272 M273 L314 L315 D421 E428 L429	A272-L425 HydrophobicContact CB-CD1 4Å; A272-L425 HydrophobicContact CB-CG 4.46Å; M273-L425 HydrophobicContact CE-CD2 3.27Å; M273-L425 HydrophobicContact CE-CG 3.99Å; M273-L425 HydrophobicContact SD-CD2 4.18Å; M273-L425 HydrophobicContact SD-CG 4.26Å; L314-L425 HydrophobicContact CB-CD2 4.18Å; L314-L425 HydrophobicContact CD2-CD1 3.67Å; L314-L425 HydrophobicContact CD2-CD2 3.98Å; L314-L425 HydrophobicContact CG-CD2 4.29Å; L315-L425 HydrophobicContact CD2-CB 4.15Å; L315-L425 HydrophobicContact CD2-CD2 3.76Å; L315-L425 HydrophobicContact CG-CD2 3.99Å; D421-L425 HydrophobicContact CB-CD1 4.38Å; D421-L425 VanDerWaalsContact O-CB 3.23Å; D421-L425 WeakPolarHBondContact O-CB 3.19Å; D421-L425 VanDerWaalsContact O-CD1 3.28Å; D421-L425 WeakPolarHBondContact O-CD1 3.33Å; D421-L425 WeakPolarHBondContact O-CG 3.49Å; D421-L425 PolarHBondContact O-N 3.16Å; L425-E428 PolarHBondContact O-N 2.98Å; L425-L429 WeakPolarHBondContact O-CB 3.13Å; L425-L429 PolarHBondContact O-N 3.23Å
426	D	95.9	Very high	94.9	Very high	20 Å²	20	35.2 Å²	35.2	11%	0.107	17%	0.17	C	C	.	.	H	α-helix	trans	-71.1	-34.1	-176	-67.8	-11.4	0	0	0	112.6	L395 Y412 N422 T424 A430 F437	L395-D426 HydrophobicContact CD1-CB 4.38Å; L395-D426 VanDerWaalsContact CD1-CG 3.45Å; L395-D426 WeakPolarHBondContact CD1-OD1 3.47Å; L395-D426 HydrophobicContact CD2-CB 3.91Å; Y412-D426 VanDerWaalsContact CE1-OD2 3.24Å; Y412-D426 WeakPolarHBondContact CE1-OD2 3.42Å; Y412-D426 VanDerWaalsContact CZ-OD2 3.3Å; Y412-D426 VanDerWaalsContact OH-CB 3.24Å; Y412-D426 WeakPolarHBondContact OH-CB 3.35Å; Y412-D426 PolarHBondContact OH-OD2 3.3Å; N422-D426 WeakPolarHBondContact O-CB 3.36Å; N422-D426 PolarHBondContact O-N 3.15Å; N422-D426 VanDerWaalsContact O-N 3.11Å; T424-D426 PolarHBondContact O-N 3.04Å; D426-A430 WeakPolarHBondContact O-CB 3.43Å; D426-A430 PolarHBondContact O-N 2.89Å; D426-F437 HydrophobicContact CB-CE2 3.8Å; D426-F437 HydrophobicContact CB-CZ 4.39Å
427	V	96.1	Very high	94.9	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-44.9	171.6	167.2	0	0	0	0	110.6	V423 T424 A430 R431 F437 Y480 E484	V423-V427 WeakPolarHBondContact O-CB 3.21Å; V423-V427 WeakPolarHBondContact O-CG2 3.3Å; V423-V427 PolarHBondContact O-N 3.32Å; V423-V427 VanDerWaalsContact O-N 3.09Å; T424-V427 PolarHBondContact O-N 3.29Å; V427-A430 PolarHBondContact O-N 2.76Å; V427-R431 PolarHBondContact O-N 2.78Å; V427-F437 HydrophobicContact CG2-CD1 3.63Å; V427-F437 HydrophobicContact CG2-CD2 4.43Å; V427-F437 HydrophobicContact CG2-CE1 3.31Å; V427-F437 HydrophobicContact CG2-CE2 4.2Å; V427-F437 HydrophobicContact CG2-CG 4.17Å; V427-F437 HydrophobicContact CG2-CZ 3.64Å; V427-Y480 HydrophobicContact CB-CE1 4.01Å; V427-Y480 HydrophobicContact CG1-CE1 3.94Å; V427-Y480 HydrophobicContact CG2-CE1 4.27Å; V427-E484 HydrophobicContact CG1-CB 4.17Å; V427-E484 HydrophobicContact CG1-CG 3.6Å
428	E	94.2	Very high	95	Very high	43 Å²	43	30.6 Å²	30.6	20%	0.201	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-45.7	176.5	177	66.1	-138.7	0	0	111.5	M273 L315 T424 L425 A430 R431 R432	M273-E428 HydrophobicContact CE-CB 4.13Å; M273-E428 HydrophobicContact CE-CG 4.02Å; M273-E428 HydrophobicContact SD-CB 3.71Å; M273-E428 HydrophobicContact SD-CG 4.11Å; L315-E428 HydrophobicContact CD1-CB 3.91Å; L315-E428 HydrophobicContact CD1-CG 3.49Å; L315-E428 VanDerWaalsContact CD1-CG 3.49Å; T424-E428 WeakPolarHBondContact O-CB 3.25Å; T424-E428 PolarHBondContact O-N 2.95Å; L425-E428 PolarHBondContact O-N 2.98Å; E428-A430 VanDerWaalsContact C-N 3.33Å; E428-A430 PolarHBondContact O-N 3.5Å; E428-R431 WeakPolarHBondContact O-CA 3.34Å; E428-R431 WeakPolarHBondContact O-CB 3.38Å; E428-R431 PolarHBondContact O-N 3.04Å; E428-R431 IonicContact OE1-NH1 3.67Å; E428-R431 IonicContact OE2-CZ 3.6Å; E428-R431 IonicContact OE2-NH1 3.99Å; E428-R431 PolarHBondContact OE2-NH1 3Å; E428-R432 WeakPolarHBondContact O-CG 3.31Å; E428-R432 PolarHBondContact O-N 3.01Å; E428-R432 WeakPolarHBondContact OE1-CG 3.4Å; E428-R432 IonicContact OE1-CZ 3.56Å; E428-R432 IonicContact OE1-NE 2.69Å; E428-R432 PolarHBondContact OE1-NE 2.98Å; E428-R432 IonicContact OE1-NH2 3.79Å
429	L	92.3	Very high	95.2	Very high	16 Å²	16	26.5 Å²	26.5	8%	0.084	13%	0.127	C	C	.	.	H	α-helix	trans	-58	-46.6	176.7	-176	61.5	0	0	0	111.5	L315 L425 R431 R432 E433 W435	L315-L429 HydrophobicContact CD1-CB 4.08Å; L315-L429 HydrophobicContact CD2-CB 4Å; L315-L429 HydrophobicContact CD2-CD1 4.41Å; L425-L429 WeakPolarHBondContact O-CB 3.13Å; L425-L429 PolarHBondContact O-N 3.23Å; L429-R431 PolarHBondContact O-N 2.66Å; L429-R432 PolarHBondContact O-N 2.78Å; L429-E433 HydrophobicContact CD1-CG 4.25Å; L429-E433 WeakPolarHBondContact CD1-OE1 3.3Å; L429-E433 PolarHBondContact O-N 2.62Å; L429-W435 HydrophobicContact CG-CZ2 4.36Å
430	A	94.4	Very high	95.2	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.033	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-39.1	175.4	0	0	0	0	0	112.4	D426 V427 E428 G434 W435 F437	D426-A430 WeakPolarHBondContact O-CB 3.43Å; D426-A430 PolarHBondContact O-N 2.89Å; V427-A430 PolarHBondContact O-N 2.76Å; E428-A430 VanDerWaalsContact C-N 3.33Å; E428-A430 PolarHBondContact O-N 3.5Å; A430-G434 WeakPolarHBondContact O-CA 3.46Å; A430-G434 PolarHBondContact O-N 3Å; A430-W435 VanDerWaalsContact CA-CE2 3.43Å; A430-W435 VanDerWaalsContact CA-CZ2 3.45Å; A430-W435 HydrophobicContact CB-CD2 3.85Å; A430-W435 HydrophobicContact CB-CE3 3.65Å; A430-W435 HydrophobicContact CB-CH2 3.38Å; A430-W435 HydrophobicContact CB-CZ2 3.6Å; A430-W435 HydrophobicContact CB-CZ3 3.42Å; A430-W435 VanDerWaalsContact CB-CZ3 3.42Å; A430-W435 PolarHBondContact O-N 3.1Å; A430-F437 HydrophobicContact CB-CB 3.89Å; A430-F437 HydrophobicContact CB-CD2 4.18Å; A430-F437 HydrophobicContact CB-CG 4.42Å
431	R	92.7	Very high	95.3	Very high	86 Å²	86	25.1 Å²	25.1	33%	0.325	12%	0.122	S	C	.	.	H	α-helix	trans	-67.9	-45.7	179.2	-160.1	-178.5	-48.7	102.1	-8.4	112	V427 E428 L429 E433 G434 E484	V427-R431 PolarHBondContact O-N 2.78Å; E428-R431 WeakPolarHBondContact O-CA 3.34Å; E428-R431 WeakPolarHBondContact O-CB 3.38Å; E428-R431 PolarHBondContact O-N 3.04Å; E428-R431 IonicContact OE1-NH1 3.67Å; E428-R431 IonicContact OE2-CZ 3.6Å; E428-R431 IonicContact OE2-NH1 3.99Å; E428-R431 PolarHBondContact OE2-NH1 3Å; L429-R431 PolarHBondContact O-N 2.66Å; R431-E433 VanDerWaalsContact C-N 3.33Å; R431-E433 PolarHBondContact O-N 2.64Å; R431-G434 PolarHBondContact O-N 2.84Å; R431-E484 IonicContact CZ-OE1 3.96Å; R431-E484 IonicContact CZ-OE2 3.32Å; R431-E484 IonicContact NE-OE1 2.84Å; R431-E484 PolarHBondContact NE-OE1 2.92Å; R431-E484 VanDerWaalsContact NE-OE1 3.16Å; R431-E484 IonicContact NE-OE2 3.9Å; R431-E484 PolarHBondContact NE-OE2 3.5Å; R431-E484 IonicContact NH2-OE1 3Å; R431-E484 IonicContact NH2-OE2 3.54Å; R431-E484 PolarHBondContact NH2-OE2 2.77Å
432	R	90.6	Very high	95.4	Very high	108 Å²	108	24.5 Å²	24.5	41%	0.408	12%	0.12	S	C	.	.	H	α-helix	trans	-62	-40.8	179.2	-70.4	-179	-174.3	-169.3	5.4	112.2	D313 D316 E428 L429	D313-R432 VanDerWaalsContact CG-NH1 3.33Å; D313-R432 IonicContact OD1-NH1 2.67Å; D313-R432 PolarHBondContact OD1-NH1 2.86Å; D313-R432 IonicContact OD2-CZ 2.88Å; D313-R432 IonicContact OD2-NH1 3.64Å; D313-R432 PolarHBondContact OD2-NH1 2.8Å; D313-R432 IonicContact OD2-NH2 3.71Å; D313-R432 PolarHBondContact OD2-NH2 2.94Å; D316-R432 IonicContact OD1-NH1 3.63Å; E428-R432 WeakPolarHBondContact O-CG 3.31Å; E428-R432 PolarHBondContact O-N 3.01Å; E428-R432 WeakPolarHBondContact OE1-CG 3.4Å; E428-R432 IonicContact OE1-CZ 3.56Å; E428-R432 IonicContact OE1-NE 2.69Å; E428-R432 PolarHBondContact OE1-NE 2.98Å; E428-R432 IonicContact OE1-NH2 3.79Å; L429-R432 PolarHBondContact O-N 2.78Å
433	E	89.9	Confident	95.3	Very high	82 Å²	82	24.2 Å²	24.2	38%	0.383	12%	0.115	S	C	.	.	H	α-helix	trans	-92.3	-13	-176	-63.7	-177.6	166.5	0	0	113.5	R399 L429 R431 W435	R399-E433 IonicContact CZ-OE1 3.82Å; R399-E433 IonicContact CZ-OE2 2.71Å; R399-E433 IonicContact NE-OE1 3Å; R399-E433 IonicContact NE-OE2 3.93Å; R399-E433 PolarHBondContact NE-OE2 2.69Å; R399-E433 VanDerWaalsContact NH2-CD 3.29Å; R399-E433 IonicContact NH2-OE1 3.41Å; R399-E433 PolarHBondContact NH2-OE1 3.3Å; R399-E433 IonicContact NH2-OE2 2.75Å; R399-E433 PolarHBondContact NH2-OE2 3Å; R399-E433 VanDerWaalsContact NH2-OE2 3.12Å; L429-E433 HydrophobicContact CD1-CG 4.25Å; L429-E433 WeakPolarHBondContact CD1-OE1 3.3Å; L429-E433 PolarHBondContact O-N 2.62Å; R431-E433 VanDerWaalsContact C-N 3.33Å; R431-E433 PolarHBondContact O-N 2.64Å; E433-W435 VanDerWaalsContact CB-CD1 3.5Å; E433-W435 PolarHBondContact OE2-NE1 3.32Å
434	G	92.6	Very high	95.1	Very high	32 Å²	32	25.4 Å²	25.4	33%	0.33	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	11.1	170.2	0	0	0	0	0	116.5	A430 R431 K490	A430-G434 WeakPolarHBondContact O-CA 3.46Å; A430-G434 PolarHBondContact O-N 3Å; R431-G434 PolarHBondContact O-N 2.84Å; G434-K490 PolarHBondContact O-NZ 3.32Å
435	W	94.9	Very high	94.8	Very high	14 Å²	14	26.4 Å²	26.4	5%	0.053	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-87.3	165	174.7	53.1	-96.8	0	0	0	112.6	L395 Q398 R399 L429 A430 E433 F437	L395-W435 HydrophobicContact CD2-CH2 3.86Å; Q398-W435 HydrophobicContact CB-CE3 3.88Å; Q398-W435 HydrophobicContact CB-CH2 4.23Å; Q398-W435 HydrophobicContact CB-CZ3 3.65Å; Q398-W435 HydrophobicContact CG-CZ3 4.43Å; Q398-W435 VanDerWaalsContact OE1-CZ3 3.28Å; R399-W435 HydrophobicContact CB-CG 4.42Å; L429-W435 HydrophobicContact CG-CZ2 4.36Å; A430-W435 VanDerWaalsContact CA-CE2 3.43Å; A430-W435 VanDerWaalsContact CA-CZ2 3.45Å; A430-W435 HydrophobicContact CB-CD2 3.85Å; A430-W435 HydrophobicContact CB-CE3 3.65Å; A430-W435 HydrophobicContact CB-CH2 3.38Å; A430-W435 HydrophobicContact CB-CZ2 3.6Å; A430-W435 HydrophobicContact CB-CZ3 3.42Å; A430-W435 VanDerWaalsContact CB-CZ3 3.42Å; A430-W435 PolarHBondContact O-N 3.1Å; E433-W435 VanDerWaalsContact CB-CD1 3.5Å; E433-W435 PolarHBondContact OE2-NE1 3.32Å; W435-F437 HydrophobicContact CH2-CD2 4.07Å; W435-F437 HydrophobicContact CZ3-CB 4.29Å; W435-F437 AromaticContact CZ3-CD2 3.9Å; W435-F437 HydrophobicContact CZ3-CD2 3.9Å
436	C	97.3	Very high	94.6	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.02	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-86.2	121.5	-175.1	-62.1	0	0	0	0	112.7	N402 V403 P406 K490	N402-C436 HydrophobicContact CB-CB 4.06Å; N402-C436 WeakPolarHBondContact CB-O 3.37Å; N402-C436 PolarHBondContact ND2-O 3.4Å; N402-C436 WeakPolarHBondContact O-CB 3.38Å; N402-C436 PolarHBondContact O-N 3.22Å; V403-C436 PolarHBondContact O-SG 3.3Å; P406-C436 HydrophobicContact CG-CB 3.79Å; C436-K490 CarbonylContact C-O 3.48Å; C436-K490 VanDerWaalsContact C-O 3.3Å; C436-K490 WeakPolarHBondContact CA-O 3.43Å; C436-K490 HydrophobicContact CB-CB 4.32Å; C436-K490 WeakPolarHBondContact CB-O 3.39Å
437	F	97.9	Very high	94.3	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.1	-176.8	-175.8	-107.9	0	0	0	113.1	P406 Y412 V423 D426 V427 A430 W435 A439 K490 A491 K492	P406-F437 VanDerWaalsContact CG-O 3.3Å; P406-F437 WeakPolarHBondContact CG-O 3.26Å; Y412-F437 HydrophobicContact CE2-CE2 4.45Å; Y412-F437 AromaticContact CE2-CZ 3.84Å; Y412-F437 HydrophobicContact CE2-CZ 3.84Å; Y412-F437 AromaticContact CZ-CZ 3.92Å; Y412-F437 WeakPolarHBondContact OH-CE2 3.29Å; V423-F437 HydrophobicContact CG2-CZ 4.32Å; D426-F437 HydrophobicContact CB-CE2 3.8Å; D426-F437 HydrophobicContact CB-CZ 4.39Å; V427-F437 HydrophobicContact CG2-CD1 3.63Å; V427-F437 HydrophobicContact CG2-CD2 4.43Å; V427-F437 HydrophobicContact CG2-CE1 3.31Å; V427-F437 HydrophobicContact CG2-CE2 4.2Å; V427-F437 HydrophobicContact CG2-CG 4.17Å; V427-F437 HydrophobicContact CG2-CZ 3.64Å; A430-F437 HydrophobicContact CB-CB 3.89Å; A430-F437 HydrophobicContact CB-CD2 4.18Å; A430-F437 HydrophobicContact CB-CG 4.42Å; W435-F437 HydrophobicContact CH2-CD2 4.07Å; W435-F437 HydrophobicContact CZ3-CB 4.29Å; W435-F437 AromaticContact CZ3-CD2 3.9Å; W435-F437 HydrophobicContact CZ3-CD2 3.9Å; F437-A439 HydrophobicContact CD1-CB 4.3Å; F437-A439 HydrophobicContact CE1-CB 3.45Å; F437-A439 VanDerWaalsContact CE1-CB 3.45Å; F437-A439 HydrophobicContact CZ-CB 3.77Å; F437-K490 PolarHBondContact N-O 3.17Å; F437-A491 HydrophobicContact CB-CB 4.11Å; F437-A491 HydrophobicContact CD1-CB 4.36Å; F437-A491 CarbonylContact O-C 3.55Å; F437-A491 VanDerWaalsContact O-CA 3.31Å; F437-A491 WeakPolarHBondContact O-CA 3.38Å; F437-K492 PolarHBondContact O-N 2.6Å
438	G	97.8	Very high	93.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.4	174.7	0	0	0	0	0	111.8	Q398 F409 N410	Q398-G438 PolarHBondContact NE2-O 2.94Å; F409-G438 WeakPolarHBondContact CA-O 3.33Å; N410-G438 PolarHBondContact N-O 3.48Å
439	A	98.2	Very high	93.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.1	178.2	0	0	0	0	0	113.1	F409 N410 Y412 F437 K492 V493 M494	F409-A439 WeakPolarHBondContact CD1-O 2.81Å; N410-A439 CarbonylContact O-C 3.42Å; N410-A439 WeakPolarHBondContact O-CA 3.44Å; Y412-A439 HydrophobicContact CD2-CB 3.97Å; Y412-A439 HydrophobicContact CE2-CB 3.77Å; F437-A439 HydrophobicContact CD1-CB 4.3Å; F437-A439 HydrophobicContact CE1-CB 3.45Å; F437-A439 VanDerWaalsContact CE1-CB 3.45Å; F437-A439 HydrophobicContact CZ-CB 3.77Å; A439-K492 PolarHBondContact N-O 3.21Å; A439-V493 HydrophobicContact CB-CG2 4.26Å; A439-V493 CarbonylContact O-C 3.58Å; A439-V493 VanDerWaalsContact O-CA 3.27Å; A439-V493 WeakPolarHBondContact O-CA 3.48Å; A439-M494 PolarHBondContact O-N 3.01Å
440	K	98.4	Very high	93.9	Very high	17 Å²	17	28.6 Å²	28.6	7%	0.074	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.9	162.6	163.7	172.8	158.4	-166.8	0	108.4	M378 D380 N410 T411 Y412 V442 M494 A496	M378-K440 HydrophobicContact CE-CD 4.4Å; M378-K440 HydrophobicContact CG-CD 3.67Å; M378-K440 HydrophobicContact SD-CD 3.14Å; M378-K440 WeakPolarHBondContact SD-CD 3.37Å; M378-K440 HydrophobicContact SD-CG 4.44Å; M378-K440 PolarHBondContact SD-NZ 3.32Å; D380-K440 IonicContact OD1-NZ 2.85Å; D380-K440 PolarHBondContact OD1-NZ 2.95Å; N410-K440 PolarHBondContact O-N 3.46Å; T411-K440 CarbonylContact C-O 3.52Å; T411-K440 WeakPolarHBondContact CA-O 3.28Å; T411-K440 HydrophobicContact CG2-CD 4.24Å; T411-K440 HydrophobicContact CG2-CG 4.12Å; Y412-K440 PolarHBondContact N-O 3.34Å; K440-V442 HydrophobicContact CD-CG1 4.34Å; K440-V442 HydrophobicContact CG-CG1 4.04Å; K440-M494 WeakPolarHBondContact CA-O 3.17Å; K440-M494 HydrophobicContact CB-CB 4.05Å; K440-M494 HydrophobicContact CB-CG 4.41Å; K440-M494 HydrophobicContact CD-CG 4.49Å; K440-M494 HydrophobicContact CG-CB 4.38Å; K440-M494 HydrophobicContact CG-CG 4.22Å; K440-A496 HydrophobicContact CD-CB 4.49Å; K440-A496 HydrophobicContact CG-CB 4.19Å
441	L	98.6	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.1	176	-57.5	-174	0	0	0	109.7	Y412 V423 Y474 C477 L478 V493 M494 A496	Y412-L441 HydrophobicContact CD2-CD2 4.09Å; Y412-L441 HydrophobicContact CG-CD2 4.21Å; V423-L441 HydrophobicContact CG2-CD2 4.48Å; L441-Y474 HydrophobicContact CB-CE1 4.48Å; L441-Y474 HydrophobicContact CB-CE2 3.96Å; L441-Y474 WeakPolarHBondContact O-CE2 3.29Å; L441-Y474 PolarHBondContact O-OH 2.83Å; L441-C477 HydrophobicContact CD1-CB 4.18Å; L441-L478 VanDerWaalsContact CD1-CA 3.48Å; L441-L478 HydrophobicContact CD1-CB 3.8Å; L441-L478 HydrophobicContact CD1-CD1 4.1Å; L441-V493 HydrophobicContact CD1-CG2 4.22Å; L441-V493 HydrophobicContact CG-CG2 4.03Å; L441-M494 PolarHBondContact N-O 2.85Å; L441-A496 WeakPolarHBondContact O-CB 3.06Å; L441-A496 PolarHBondContact O-N 2.91Å; L441-A496 VanDerWaalsContact O-N 3.11Å
442	V	97.1	Very high	93.9	Very high	27 Å²	27	31.5 Å²	31.5	16%	0.164	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	161.7	172.6	-63.6	0	0	0	0	109.7	T411 Y412 Q413 C414 K440 A496	T411-V442 HydrophobicContact CG2-CG1 4.2Å; T411-V442 HydrophobicContact CG2-CG2 3.71Å; Y412-V442 WeakPolarHBondContact O-CG2 3.34Å; Y412-V442 PolarHBondContact O-N 3.41Å; Q413-V442 HydrophobicContact CB-CG2 4.33Å; Q413-V442 HydrophobicContact CG-CG2 4Å; C414-V442 WeakPolarHBondContact CB-O 3.33Å; C414-V442 PolarHBondContact N-O 2.63Å; C414-V442 PolarHBondContact SG-O 2.84Å; K440-V442 HydrophobicContact CD-CG1 4.34Å; K440-V442 HydrophobicContact CG-CG1 4.04Å; V442-A496 HydrophobicContact CG1-CB 3.73Å
443	R	95.1	Very high	94.1	Very high	40 Å²	40	26.6 Å²	26.6	15%	0.151	16%	0.16	C	C	.	.			trans	-67.5	-63.4	164.6	-71.4	-173.9	177.1	77.9	9.7	109.7	Q413 C414 Y415 T470 N471 Y474 S497 N499 T502	Q413-R443 CarbonylContact C-O 3.47Å; C414-R443 PolarHBondContact N-O 3.39Å; C414-R443 VanDerWaalsContact N-O 3.11Å; Y415-R443 WeakPolarHBondContact CB-O 3.26Å; Y415-R443 VanDerWaalsContact CD1-O 3.23Å; Y415-R443 WeakPolarHBondContact CD1-O 3.39Å; Y415-R443 PolarHBondContact N-O 3.16Å; R443-T470 HydrophobicContact CB-CG2 4.05Å; R443-T470 HydrophobicContact CG-CG2 3.99Å; R443-N471 PolarHBondContact NE-OD1 3.32Å; R443-N471 PolarHBondContact NH2-OD1 3Å; R443-Y474 HydrophobicContact CG-CD2 4.16Å; R443-S497 PolarHBondContact NH1-OG 3.08Å; R443-N499 VanDerWaalsContact NH1-CB 3.33Å; R443-N499 VanDerWaalsContact NH2-CB 3.31Å; R443-N499 VanDerWaalsContact NH2-CG 3.34Å; R443-N499 PolarHBondContact NH2-ND2 2.96Å; R443-T502 PolarHBondContact NH2-OG1 2.87Å
444	G	91.9	Very high	94.4	Very high	24 Å²	24	22.9 Å²	22.9	25%	0.247	14%	0.143	C	C	.	.			trans	151.6	158.2	-177.9	0	0	0	0	0	110.4	L447	G444-L447 VanDerWaalsContact C-CD1 3.5Å; G444-L447 WeakPolarHBondContact O-CD1 3.43Å
445	A	89.3	Confident	94.5	Very high	25 Å²	25	25.2 Å²	25.2	21%	0.207	16%	0.16	C	C	.	.	S	Bend	trans	-115.7	-12	-176.9	0	0	0	0	0	113.8	S196 A197	S196-A445 WeakPolarHBondContact OG-CB 3.41Å; A197-A445 HydrophobicContact CB-CB 3.71Å
446	Y	90.9	Very high	94.5	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.008	19%	0.186	C	C	.	.			trans	-111.4	10	-167.9	-51.9	-83.3	0	0	0	113.2	V194 A197 K234 E382 Q383 A448 Q449 E450	V194-Y446 HydrophobicContact CB-CD1 4.4Å; V194-Y446 HydrophobicContact CG1-CD1 3.75Å; V194-Y446 HydrophobicContact CG1-CE1 3.74Å; V194-Y446 HydrophobicContact CG2-CD1 3.68Å; V194-Y446 HydrophobicContact CG2-CE1 4.28Å; A197-Y446 HydrophobicContact CB-CE1 3.75Å; A197-Y446 HydrophobicContact CB-CE2 4.24Å; A197-Y446 VanDerWaalsContact CB-CZ 3.48Å; A197-Y446 VanDerWaalsContact CB-OH 3.25Å; A197-Y446 WeakPolarHBondContact CB-OH 3.25Å; K234-Y446 PolarHBondContact NZ-OH 2.94Å; E382-Y446 WeakPolarHBondContact O-CE2 3.42Å; Q383-Y446 HydrophobicContact CG-CD1 3.95Å; Q383-Y446 HydrophobicContact CG-CE1 4.22Å; Q383-Y446 HydrophobicContact CG-CG 4.32Å; Y446-A448 PolarHBondContact O-N 3.35Å; Y446-Q449 PolarHBondContact O-N 3.25Å; Y446-Q449 VanDerWaalsContact O-N 3.1Å; Y446-E450 WeakPolarHBondContact O-CG 3.45Å; Y446-E450 PolarHBondContact O-N 2.94Å
447	L	89.9	Confident	94.3	Very high	61 Å²	61	31.6 Å²	31.6	32%	0.319	19%	0.19	S	C	.	.	H	α-helix	trans	-44.7	-53.5	-170.9	-79.2	66.7	0	0	0	114.4	Y415 G444 R451 I463	Y415-L447 HydrophobicContact CD2-CB 4.22Å; Y415-L447 HydrophobicContact CD2-CD1 3.36Å; Y415-L447 HydrophobicContact CD2-CG 3.39Å; Y415-L447 HydrophobicContact CE2-CB 4.47Å; Y415-L447 HydrophobicContact CE2-CD1 3.83Å; Y415-L447 HydrophobicContact CE2-CG 4.04Å; Y415-L447 HydrophobicContact CG-CD1 3.75Å; Y415-L447 HydrophobicContact CG-CG 4.07Å; G444-L447 VanDerWaalsContact C-CD1 3.5Å; G444-L447 WeakPolarHBondContact O-CD1 3.43Å; L447-R451 PolarHBondContact O-N 3.32Å; L447-I463 HydrophobicContact CB-CD1 4.35Å; L447-I463 HydrophobicContact CG-CD1 4.45Å
448	A	88.2	Confident	94	Very high	66 Å²	66	33.8 Å²	33.8	55%	0.545	21%	0.214	S	C	.	.	H	α-helix	trans	-68.1	-42	-175.8	0	0	0	0	0	111.9	Y446 A452	Y446-A448 PolarHBondContact O-N 3.35Å; A448-A452 WeakPolarHBondContact O-CB 3.35Å; A448-A452 PolarHBondContact O-N 3.14Å; A448-A452 VanDerWaalsContact O-N 3.1Å
449	Q	92.1	Very high	93.8	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-45.4	178	-176.9	-178.7	73.2	0	0	111.3	F187 R190 N192 V194 Y446 R451 A452 R453	F187-Q449 HydrophobicContact CD1-CG 4.35Å; R190-Q449 PolarHBondContact O-NE2 3.35Å; N192-Q449 PolarHBondContact O-NE2 2.75Å; V194-Q449 HydrophobicContact CG2-CB 4.13Å; V194-Q449 HydrophobicContact CG2-CG 4.48Å; Y446-Q449 PolarHBondContact O-N 3.25Å; Y446-Q449 VanDerWaalsContact O-N 3.1Å; Q449-R451 PolarHBondContact O-N 2.78Å; Q449-A452 PolarHBondContact O-N 3.36Å; Q449-R453 VanDerWaalsContact O-CB 3.24Å; Q449-R453 WeakPolarHBondContact O-CB 3.3Å; Q449-R453 PolarHBondContact O-N 2.92Å
450	E	93.9	Very high	93.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-45.8	-179.1	-67.9	-64	167.4	0	0	112.2	Q383 T384 Y415 Y446 R453 A454 I463	Q383-E450 WeakPolarHBondContact CA-OE1 3.43Å; Q383-E450 WeakPolarHBondContact CB-OE1 3.45Å; T384-E450 WeakPolarHBondContact CB-OE2 3.41Å; T384-E450 VanDerWaalsContact CG2-CD 3.4Å; T384-E450 HydrophobicContact CG2-CG 4Å; T384-E450 WeakPolarHBondContact CG2-OE2 3.4Å; T384-E450 PolarHBondContact N-OE1 2.95Å; T384-E450 VanDerWaalsContact OG1-CD 3.32Å; T384-E450 PolarHBondContact OG1-OE1 2.99Å; T384-E450 PolarHBondContact OG1-OE2 2.9Å; Y415-E450 HydrophobicContact CE2-CB 4.49Å; Y415-E450 HydrophobicContact CE2-CG 4.08Å; Y415-E450 WeakPolarHBondContact OH-CG 3.34Å; Y446-E450 WeakPolarHBondContact O-CG 3.45Å; Y446-E450 PolarHBondContact O-N 2.94Å; E450-R453 PolarHBondContact O-N 2.89Å; E450-A454 WeakPolarHBondContact O-CB 3.38Å; E450-A454 PolarHBondContact O-N 3.33Å; E450-I463 HydrophobicContact CB-CG2 4.02Å
451	R	93.8	Very high	93.4	Very high	102 Å²	102	43.4 Å²	43.4	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-66.2	-42.6	178.2	-177.5	170.4	-71.3	164.7	0.5	112.2	L447 Q449 R453 A455 D461 I463 N464 P465	L447-R451 PolarHBondContact O-N 3.32Å; Q449-R451 PolarHBondContact O-N 2.78Å; R451-R453 VanDerWaalsContact C-N 3.32Å; R451-A455 PolarHBondContact O-N 3.22Å; R451-D461 IonicContact CZ-OD2 2.84Å; R451-D461 IonicContact NE-OD2 3.37Å; R451-D461 PolarHBondContact NE-OD2 2.79Å; R451-D461 IonicContact NH2-OD2 2.99Å; R451-I463 HydrophobicContact CB-CD1 4.41Å; R451-I463 VanDerWaalsContact NH2-CD1 3.32Å; R451-N464 PolarHBondContact NH2-O 3.28Å; R451-P465 PolarHBondContact NH2-O 3.05Å
452	A	94.4	Very high	93.2	Very high	49 Å²	49	44.6 Å²	44.6	41%	0.405	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-41.3	176.1	0	0	0	0	0	111.5	F187 A448 Q449 A455 E456	F187-A452 HydrophobicContact CE1-CB 4.24Å; A448-A452 WeakPolarHBondContact O-CB 3.35Å; A448-A452 PolarHBondContact O-N 3.14Å; A448-A452 VanDerWaalsContact O-N 3.1Å; Q449-A452 PolarHBondContact O-N 3.36Å; A452-A455 PolarHBondContact O-N 3.01Å; A452-E456 WeakPolarHBondContact O-CB 3.5Å; A452-E456 PolarHBondContact O-N 3.35Å
453	R	94.3	Very high	93.2	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.015	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-44.6	178.6	-170.9	177.6	-179.4	-78.4	0.4	112.9	Q180 Q182 F187 Q449 E450 R451 A455 E456 I457 Y459	Q180-R453 PolarHBondContact O-NH1 3.11Å; Q180-R453 PolarHBondContact O-NH2 2.88Å; Q182-R453 PolarHBondContact O-NH2 3.46Å; F187-R453 HydrophobicContact CD1-CB 3.85Å; F187-R453 HydrophobicContact CD1-CG 4.1Å; F187-R453 HydrophobicContact CD2-CB 4.19Å; F187-R453 HydrophobicContact CD2-CG 3.68Å; F187-R453 HydrophobicContact CE1-CB 3.67Å; F187-R453 HydrophobicContact CE1-CG 4.24Å; F187-R453 HydrophobicContact CE2-CB 4.02Å; F187-R453 HydrophobicContact CE2-CG 3.84Å; F187-R453 HydrophobicContact CG-CB 4.12Å; F187-R453 HydrophobicContact CG-CG 3.83Å; F187-R453 HydrophobicContact CZ-CB 3.78Å; F187-R453 HydrophobicContact CZ-CG 4.15Å; Q449-R453 VanDerWaalsContact O-CB 3.24Å; Q449-R453 WeakPolarHBondContact O-CB 3.3Å; Q449-R453 PolarHBondContact O-N 2.92Å; E450-R453 PolarHBondContact O-N 2.89Å; R451-R453 VanDerWaalsContact C-N 3.32Å; R453-A455 VanDerWaalsContact C-N 3.31Å; R453-A455 PolarHBondContact O-N 3.1Å; R453-E456 PolarHBondContact O-N 3.14Å; R453-I457 HydrophobicContact CG-CD1 3.52Å; R453-I457 HydrophobicContact CG-CG1 4.23Å; R453-I457 WeakPolarHBondContact O-CB 3.04Å; R453-I457 WeakPolarHBondContact O-CG1 3.35Å; R453-I457 PolarHBondContact O-N 2.89Å; R453-Y459 HydrophobicContact CG-CE1 4.1Å; R453-Y459 WeakPolarHBondContact CG-OH 3.45Å; R453-Y459 PolarHBondContact NH1-OH 3.17Å
454	A	94.9	Very high	93.3	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.033	26%	0.258	C	S	.	.	H	α-helix	trans	-58.4	-43.5	175.8	0	0	0	0	0	111.9	E450 G458 Y459 D461	E450-A454 WeakPolarHBondContact O-CB 3.38Å; E450-A454 PolarHBondContact O-N 3.33Å; A454-G458 VanDerWaalsContact O-CA 3.31Å; A454-G458 WeakPolarHBondContact O-CA 3.29Å; A454-G458 PolarHBondContact O-N 2.97Å; A454-Y459 VanDerWaalsContact CA-CZ 3.49Å; A454-Y459 HydrophobicContact CB-CD2 4.07Å; A454-Y459 HydrophobicContact CB-CE1 4.39Å; A454-Y459 HydrophobicContact CB-CE2 3.7Å; A454-Y459 PolarHBondContact N-OH 2.95Å; A454-Y459 PolarHBondContact O-N 3.39Å; A454-Y459 VanDerWaalsContact O-N 3.16Å; A454-D461 HydrophobicContact CB-CB 4.42Å
455	A	95.6	Very high	93.5	Very high	82 Å²	82	45.5 Å²	45.5	68%	0.678	27%	0.273	S	S	*	.	H	α-helix	trans	-67.2	-44.5	178.1	0	0	0	0	0	113.2	R451 A452 R453	R451-A455 PolarHBondContact O-N 3.22Å; A452-A455 PolarHBondContact O-N 3.01Å; R453-A455 VanDerWaalsContact C-N 3.31Å; R453-A455 PolarHBondContact O-N 3.1Å
456	E	94.6	Very high	93.8	Very high	130 Å²	130	47.6 Å²	47.6	61%	0.607	28%	0.283	S	S	*	.	H	α-helix	trans	-68.9	-44.5	-177.9	-177.3	64.7	-163.5	0	0	112.3	F187 A452 R453	F187-E456 HydrophobicContact CE2-CB 3.73Å; F187-E456 HydrophobicContact CE2-CG 3.76Å; F187-E456 HydrophobicContact CZ-CB 3.8Å; F187-E456 HydrophobicContact CZ-CG 4.15Å; A452-E456 WeakPolarHBondContact O-CB 3.5Å; A452-E456 PolarHBondContact O-N 3.35Å; R453-E456 PolarHBondContact O-N 3.14Å
457	I	92.8	Very high	93.8	Very high	21 Å²	21	53 Å²	53	11%	0.108	31%	0.305	C	S	.	.	H	α-helix	trans	-85	-25	-175.8	-61.2	-178.6	0	0	0	111.5	K179 H184 F187 R453 Y459	K179-I457 HydrophobicContact CB-CG2 3.67Å; K179-I457 HydrophobicContact CD-CG2 4.36Å; H184-I457 HydrophobicContact CB-CD1 3.7Å; H184-I457 HydrophobicContact CB-CG1 4.48Å; F187-I457 HydrophobicContact CD2-CD1 4.19Å; F187-I457 HydrophobicContact CE2-CD1 4.42Å; F187-I457 HydrophobicContact CE2-CG1 4.31Å; R453-I457 HydrophobicContact CG-CD1 3.52Å; R453-I457 HydrophobicContact CG-CG1 4.23Å; R453-I457 WeakPolarHBondContact O-CB 3.04Å; R453-I457 WeakPolarHBondContact O-CG1 3.35Å; R453-I457 PolarHBondContact O-N 2.89Å; I457-Y459 HydrophobicContact CB-CD1 3.9Å; I457-Y459 HydrophobicContact CB-CE1 3.92Å; I457-Y459 HydrophobicContact CD1-CE1 4.3Å; I457-Y459 HydrophobicContact CG2-CD1 3.86Å; I457-Y459 HydrophobicContact CG2-CE1 4.18Å
458	G	92.8	Very high	94.1	Very high	50 Å²	50	56 Å²	56	52%	0.515	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	53.2	177.8	0	0	0	0	0	113.6	A454	A454-G458 VanDerWaalsContact O-CA 3.31Å; A454-G458 WeakPolarHBondContact O-CA 3.29Å; A454-G458 PolarHBondContact O-N 2.97Å
459	Y	92.4	Very high	94.5	Very high	31 Å²	31	54.2 Å²	54.2	12%	0.122	30%	0.302	C	S	.	.			trans	-122.5	168.5	166	63.8	-90.1	0	0	0	110.3	Q180 R453 A454 I457 D461	Q180-Y459 HydrophobicContact CB-CD1 4.29Å; Q180-Y459 HydrophobicContact CB-CD2 4.06Å; Q180-Y459 HydrophobicContact CB-CE2 4.34Å; Q180-Y459 HydrophobicContact CB-CG 4.04Å; Q180-Y459 HydrophobicContact CG-CD2 4Å; Q180-Y459 HydrophobicContact CG-CE2 3.86Å; Q180-Y459 HydrophobicContact CG-CG 4.46Å; R453-Y459 HydrophobicContact CG-CE1 4.1Å; R453-Y459 WeakPolarHBondContact CG-OH 3.45Å; R453-Y459 PolarHBondContact NH1-OH 3.17Å; A454-Y459 VanDerWaalsContact CA-CZ 3.49Å; A454-Y459 HydrophobicContact CB-CD2 4.07Å; A454-Y459 HydrophobicContact CB-CE1 4.39Å; A454-Y459 HydrophobicContact CB-CE2 3.7Å; A454-Y459 PolarHBondContact N-OH 2.95Å; A454-Y459 PolarHBondContact O-N 3.39Å; A454-Y459 VanDerWaalsContact O-N 3.16Å; I457-Y459 HydrophobicContact CB-CD1 3.9Å; I457-Y459 HydrophobicContact CB-CE1 3.92Å; I457-Y459 HydrophobicContact CD1-CE1 4.3Å; I457-Y459 HydrophobicContact CG2-CD1 3.86Å; I457-Y459 HydrophobicContact CG2-CE1 4.18Å; Y459-D461 PolarHBondContact O-N 2.78Å
460	E	92.7	Very high	94.8	Very high	146 Å²	146	54.1 Å²	54.1	68%	0.682	30%	0.301	S	S	*	.			trans	-61.7	134.8	-177.3	-170.4	-177.8	162.5	0	0	111.6	K417 P462	K417-E460 IonicContact NZ-OE1 3.6Å; K417-E460 PolarHBondContact NZ-OE1 2.98Å; E460-P462 WeakPolarHBondContact O-CD 3.4Å; E460-P462 VanDerWaalsContact O-N 3.12Å
461	D	95.5	Very high	94.9	Very high	42 Å²	42	55.4 Å²	55.4	23%	0.225	31%	0.308	C	S	.	.			trans	-60	113.1	172.1	-176.5	-3.7	0	0	0	109.5	K417 R451 A454 Y459 I463	K417-D461 VanDerWaalsContact CE-O 3.23Å; K417-D461 WeakPolarHBondContact CE-O 3.12Å; K417-D461 PolarHBondContact NZ-O 2.75Å; R451-D461 IonicContact CZ-OD2 2.84Å; R451-D461 IonicContact NE-OD2 3.37Å; R451-D461 PolarHBondContact NE-OD2 2.79Å; R451-D461 IonicContact NH2-OD2 2.99Å; A454-D461 HydrophobicContact CB-CB 4.42Å; Y459-D461 PolarHBondContact O-N 2.78Å; D461-I463 PolarHBondContact O-N 3.32Å; D461-I463 WeakPolarHBondContact OD1-CG1 3.31Å; D461-I463 PolarHBondContact OD1-N 3.46Å
462	P	95.1	Very high	95.1	Very high	25 Å²	25	53.4 Å²	53.4	16%	0.162	31%	0.314	C	S	.	.			trans	-77.4	-6.4	-175.3	32.4	-34.7	0	0	0	112.7	T384 L416 K417 E460	T384-P462 HydrophobicContact CG2-CB 4.28Å; T384-P462 HydrophobicContact CG2-CG 3.86Å; L416-P462 WeakPolarHBondContact CA-O 3.45Å; L416-P462 HydrophobicContact CD2-CB 4.46Å; K417-P462 PolarHBondContact N-O 3.2Å; E460-P462 WeakPolarHBondContact O-CD 3.4Å; E460-P462 VanDerWaalsContact O-N 3.12Å
463	I	96.5	Very high	95.3	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.036	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-100.3	155.1	-171.4	78.4	154.1	0	0	0	112.7	Y415 L416 K417 L447 E450 R451 D461	Y415-I463 HydrophobicContact CD2-CB 3.82Å; Y415-I463 HydrophobicContact CD2-CD1 4.4Å; Y415-I463 HydrophobicContact CD2-CG2 3.36Å; Y415-I463 HydrophobicContact CE2-CB 4.32Å; Y415-I463 HydrophobicContact CE2-CG2 3.35Å; Y415-I463 HydrophobicContact CG-CG2 4.33Å; Y415-I463 CarbonylContact O-C 3.53Å; Y415-I463 VanDerWaalsContact O-CA 3.24Å; Y415-I463 WeakPolarHBondContact O-CA 3.49Å; Y415-I463 WeakPolarHBondContact O-CB 3.5Å; L416-I463 HydrophobicContact CD2-CG2 4.19Å; K417-I463 WeakPolarHBondContact CE-O 3.45Å; L447-I463 HydrophobicContact CB-CD1 4.35Å; L447-I463 HydrophobicContact CG-CD1 4.45Å; E450-I463 HydrophobicContact CB-CG2 4.02Å; R451-I463 HydrophobicContact CB-CD1 4.41Å; R451-I463 VanDerWaalsContact NH2-CD1 3.32Å; D461-I463 PolarHBondContact O-N 3.32Å; D461-I463 WeakPolarHBondContact OD1-CG1 3.31Å; D461-I463 PolarHBondContact OD1-N 3.46Å
464	N	97.4	Very high	95.5	Very high	15 Å²	15	52 Å²	52	8%	0.08	30%	0.299	C	S	.	.			trans	-59.8	144.5	173	-72.4	-50.4	0	0	0	110.5	C414 Y415 L416 R451 T466 A469	C414-N464 PolarHBondContact O-ND2 3.03Å; Y415-N464 VanDerWaalsContact C-ND2 3.34Å; Y415-N464 PolarHBondContact O-N 3.17Å; Y415-N464 PolarHBondContact O-ND2 3.34Å; L416-N464 PolarHBondContact O-ND2 3.1Å; R451-N464 PolarHBondContact NH2-O 3.28Å; N464-T466 VanDerWaalsContact C-N 3.34Å; N464-T466 PolarHBondContact O-N 3.47Å; N464-A469 HydrophobicContact CB-CB 4.04Å
465	P	95.8	Very high	95.7	Very high	88 Å²	88	54.1 Å²	54.1	57%	0.571	31%	0.308	S	S	*	.	S	Bend	trans	-65	-37.4	-170.3	24	-34.2	0	0	0	112.8	R451 A469	R451-P465 PolarHBondContact NH2-O 3.05Å; P465-A469 HydrophobicContact CG-CB 4.06Å
466	T	95.3	Very high	95.9	Very high	69 Å²	69	56.5 Å²	56.5	42%	0.423	30%	0.3	S	S	.	.	S	Bend	trans	-130.5	165.9	-174.5	69.1	0	0	0	0	112.9	N464 E468 A469 T470	N464-T466 VanDerWaalsContact C-N 3.34Å; N464-T466 PolarHBondContact O-N 3.47Å; T466-E468 VanDerWaalsContact C-N 3.27Å; T466-E468 PolarHBondContact O-N 3.19Å; T466-A469 PolarHBondContact O-N 3.22Å; T466-A469 WeakPolarHBondContact OG1-CB 3.14Å; T466-A469 PolarHBondContact OG1-N 2.97Å; T466-T470 PolarHBondContact O-N 3.39Å; T466-T470 PolarHBondContact O-OG1 3.36Å
467	Y	91.9	Very high	96.1	Very high	116 Å²	116	50.3 Å²	50.3	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-39.2	172.6	177.3	-106.1	0	0	0	111.4	T470 N471 N499	Y467-T470 WeakPolarHBondContact O-CB 3.47Å; Y467-T470 PolarHBondContact O-N 2.95Å; Y467-N471 WeakPolarHBondContact CD1-ND2 2.89Å; Y467-N471 WeakPolarHBondContact CE1-ND2 3.45Å; Y467-N471 VanDerWaalsContact O-CG 3.26Å; Y467-N471 PolarHBondContact O-N 3.17Å; Y467-N471 PolarHBondContact O-ND2 3.17Å; Y467-N499 PolarHBondContact OH-ND2 3.27Å; Y467-N499 VanDerWaalsContact OH-ND2 3.17Å
468	E	95.7	Very high	96.3	Very high	124 Å²	124	49.3 Å²	49.3	58%	0.579	27%	0.266	S	S	*	.	H	α-helix	trans	-65.2	-42.5	177.4	-65.5	67.6	-147.8	0	0	111.2	T466 T470 N471 A472	T466-E468 VanDerWaalsContact C-N 3.27Å; T466-E468 PolarHBondContact O-N 3.19Å; E468-T470 VanDerWaalsContact C-N 3.32Å; E468-T470 PolarHBondContact O-N 3.33Å; E468-N471 WeakPolarHBondContact O-CB 3.18Å; E468-N471 PolarHBondContact O-N 3.5Å; E468-N471 VanDerWaalsContact O-N 3.14Å; E468-A472 PolarHBondContact O-N 3.21Å
469	A	97.9	Very high	96.6	Very high	27 Å²	27	49.4 Å²	49.4	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-39.5	174.2	0	0	0	0	0	111.7	N464 P465 T466 N471 A472 M473	N464-A469 HydrophobicContact CB-CB 4.04Å; P465-A469 HydrophobicContact CG-CB 4.06Å; T466-A469 PolarHBondContact O-N 3.22Å; T466-A469 WeakPolarHBondContact OG1-CB 3.14Å; T466-A469 PolarHBondContact OG1-N 2.97Å; A469-N471 VanDerWaalsContact C-N 3.34Å; A469-N471 PolarHBondContact O-N 3.38Å; A469-A472 PolarHBondContact O-N 3.03Å; A469-M473 WeakPolarHBondContact O-CB 3.43Å; A469-M473 PolarHBondContact O-N 2.74Å
470	T	97.1	Very high	96.9	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.025	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-38.8	172.8	-62.2	0	0	0	0	112	R443 T466 Y467 E468 Y474	R443-T470 HydrophobicContact CB-CG2 4.05Å; R443-T470 HydrophobicContact CG-CG2 3.99Å; T466-T470 PolarHBondContact O-N 3.39Å; T466-T470 PolarHBondContact O-OG1 3.36Å; Y467-T470 WeakPolarHBondContact O-CB 3.47Å; Y467-T470 PolarHBondContact O-N 2.95Å; E468-T470 VanDerWaalsContact C-N 3.32Å; E468-T470 PolarHBondContact O-N 3.33Å; T470-Y474 WeakPolarHBondContact O-CB 2.93Å; T470-Y474 PolarHBondContact O-N 2.92Å
471	N	96.8	Very high	97.1	Very high	27 Å²	27	43.6 Å²	43.6	14%	0.144	23%	0.227	C	C	.	.	H	α-helix	trans	-66.5	-43.4	175.8	-66.6	-30.5	0	0	0	111.7	R443 Y467 E468 A469 M473 Y474 H475	R443-N471 PolarHBondContact NE-OD1 3.32Å; R443-N471 PolarHBondContact NH2-OD1 3Å; Y467-N471 WeakPolarHBondContact CD1-ND2 2.89Å; Y467-N471 WeakPolarHBondContact CE1-ND2 3.45Å; Y467-N471 VanDerWaalsContact O-CG 3.26Å; Y467-N471 PolarHBondContact O-N 3.17Å; Y467-N471 PolarHBondContact O-ND2 3.17Å; E468-N471 WeakPolarHBondContact O-CB 3.18Å; E468-N471 PolarHBondContact O-N 3.5Å; E468-N471 VanDerWaalsContact O-N 3.14Å; A469-N471 VanDerWaalsContact C-N 3.34Å; A469-N471 PolarHBondContact O-N 3.38Å; N471-M473 VanDerWaalsContact C-N 3.34Å; N471-Y474 PolarHBondContact O-N 2.68Å; N471-H475 PolarHBondContact O-N 2.83Å
472	A	98.4	Very high	97.2	Very high	61 Å²	61	41.6 Å²	41.6	50%	0.504	22%	0.216	S	C	.	.	H	α-helix	trans	-60.9	-44.4	176	0	0	0	0	0	111.2	E468 A469 H475 R476	E468-A472 PolarHBondContact O-N 3.21Å; A469-A472 PolarHBondContact O-N 3.03Å; A472-H475 PolarHBondContact O-N 2.7Å; A472-R476 VanDerWaalsContact O-CB 3.3Å; A472-R476 WeakPolarHBondContact O-CB 3.47Å; A472-R476 PolarHBondContact O-N 3.27Å
473	M	98.5	Very high	97.3	Very high	23 Å²	23	43.7 Å²	43.7	11%	0.113	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-45.9	173.9	-176.1	63	77.7	0	0	111.6	C414 K417 A419 A469 N471 H475 R476 C477	C414-M473 HydrophobicContact CB-CG 4.25Å; C414-M473 WeakPolarHBondContact O-CB 3.46Å; C414-M473 WeakPolarHBondContact O-CG 3.09Å; K417-M473 VanDerWaalsContact O-CE 3.24Å; K417-M473 WeakPolarHBondContact O-CE 3.48Å; A419-M473 HydrophobicContact CB-CG 3.98Å; A419-M473 HydrophobicContact CB-SD 4.25Å; A469-M473 WeakPolarHBondContact O-CB 3.43Å; A469-M473 PolarHBondContact O-N 2.74Å; N471-M473 VanDerWaalsContact C-N 3.34Å; M473-H475 PolarHBondContact O-N 3.16Å; M473-R476 PolarHBondContact O-N 3.48Å; M473-C477 PolarHBondContact O-N 2.9Å; M473-C477 PolarHBondContact O-SG 3.45Å; M473-C477 VanDerWaalsContact O-SG 3.33Å
474	Y	98.7	Very high	97.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-48.2	177.3	-169.1	-71.6	0	0	0	112	C414 L441 R443 T470 N471 R476 C477 L478 V495 A496 T502	C414-Y474 HydrophobicContact CB-CD2 3.83Å; C414-Y474 HydrophobicContact CB-CG 4.18Å; L441-Y474 HydrophobicContact CB-CE1 4.48Å; L441-Y474 HydrophobicContact CB-CE2 3.96Å; L441-Y474 WeakPolarHBondContact O-CE2 3.29Å; L441-Y474 PolarHBondContact O-OH 2.83Å; R443-Y474 HydrophobicContact CG-CD2 4.16Å; T470-Y474 WeakPolarHBondContact O-CB 2.93Å; T470-Y474 PolarHBondContact O-N 2.92Å; N471-Y474 PolarHBondContact O-N 2.68Å; Y474-R476 VanDerWaalsContact C-N 3.33Å; Y474-R476 PolarHBondContact O-N 3.04Å; Y474-C477 PolarHBondContact O-N 2.64Å; Y474-L478 HydrophobicContact CD1-CB 4.47Å; Y474-L478 HydrophobicContact CE1-CB 4.43Å; Y474-L478 HydrophobicContact CE1-CD2 4.15Å; Y474-L478 VanDerWaalsContact O-CB 3.28Å; Y474-L478 WeakPolarHBondContact O-CB 3.27Å; Y474-L478 PolarHBondContact O-N 2.76Å; Y474-V495 HydrophobicContact CE1-CG1 4.31Å; Y474-V495 WeakPolarHBondContact OH-CG1 3.37Å; Y474-A496 PolarHBondContact OH-N 2.98Å; Y474-T502 HydrophobicContact CD1-CG2 3.58Å; Y474-T502 HydrophobicContact CE1-CG2 3.33Å
475	H	98.7	Very high	97.1	Very high	48 Å²	48	43.5 Å²	43.5	22%	0.222	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-39.2	178.7	-66.7	166	0	0	0	111.6	N471 A472 M473 L478 D479 F505	N471-H475 PolarHBondContact O-N 2.83Å; A472-H475 PolarHBondContact O-N 2.7Å; M473-H475 PolarHBondContact O-N 3.16Å; H475-L478 PolarHBondContact O-N 3.49Å; H475-D479 VanDerWaalsContact O-CB 3.24Å; H475-D479 WeakPolarHBondContact O-CB 3.43Å; H475-D479 PolarHBondContact O-N 3.08Å; H475-F505 HydrophobicContact CB-CD1 4.39Å; H475-F505 HydrophobicContact CB-CE1 3.99Å; H475-F505 HydrophobicContact CB-CE2 4.36Å; H475-F505 HydrophobicContact CB-CZ 3.98Å; H475-F505 AromaticContact CD2-CD1 3.82Å
476	R	98.5	Very high	97	Very high	133 Å²	133	44.5 Å²	44.5	50%	0.502	22%	0.217	S	C	.	.	H	α-helix	trans	-63.4	-47.2	176.5	-166.9	-168	173.9	-171.2	-2.5	112.2	Y420 A472 M473 Y474 Y480	Y420-R476 HydrophobicContact CD2-CB 4.3Å; Y420-R476 HydrophobicContact CD2-CG 3.58Å; Y420-R476 HydrophobicContact CE2-CG 3.56Å; Y420-R476 HydrophobicContact CG-CG 4.4Å; A472-R476 VanDerWaalsContact O-CB 3.3Å; A472-R476 WeakPolarHBondContact O-CB 3.47Å; A472-R476 PolarHBondContact O-N 3.27Å; M473-R476 PolarHBondContact O-N 3.48Å; Y474-R476 VanDerWaalsContact C-N 3.33Å; Y474-R476 PolarHBondContact O-N 3.04Å; R476-Y480 PolarHBondContact O-N 3.23Å
477	C	98.6	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-45.6	174.8	-67.3	0	0	0	0	111.4	V423 L441 M473 Y474 V481	V423-C477 HydrophobicContact CG1-CB 4.02Å; L441-C477 HydrophobicContact CD1-CB 4.18Å; M473-C477 PolarHBondContact O-N 2.9Å; M473-C477 PolarHBondContact O-SG 3.45Å; M473-C477 VanDerWaalsContact O-SG 3.33Å; Y474-C477 PolarHBondContact O-N 2.64Å; C477-V481 WeakPolarHBondContact O-CG2 3.31Å; C477-V481 PolarHBondContact O-N 3.48Å
478	L	98.6	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.5	-46.2	-179.2	175.9	59.9	0	0	0	111.5	L441 Y474 H475 Y480 V481 L482 V495 F505 A506	L441-L478 VanDerWaalsContact CD1-CA 3.48Å; L441-L478 HydrophobicContact CD1-CB 3.8Å; L441-L478 HydrophobicContact CD1-CD1 4.1Å; Y474-L478 HydrophobicContact CD1-CB 4.47Å; Y474-L478 HydrophobicContact CE1-CB 4.43Å; Y474-L478 HydrophobicContact CE1-CD2 4.15Å; Y474-L478 VanDerWaalsContact O-CB 3.28Å; Y474-L478 WeakPolarHBondContact O-CB 3.27Å; Y474-L478 PolarHBondContact O-N 2.76Å; H475-L478 PolarHBondContact O-N 3.49Å; L478-Y480 VanDerWaalsContact C-N 3.34Å; L478-Y480 PolarHBondContact O-N 2.9Å; L478-V481 PolarHBondContact O-N 2.76Å; L478-L482 HydrophobicContact CD1-CD1 3.99Å; L478-L482 HydrophobicContact CD1-CD2 4.23Å; L478-L482 HydrophobicContact CD1-CG 3.85Å; L478-L482 HydrophobicContact CD2-CD1 4.5Å; L478-L482 HydrophobicContact CG-CD1 3.89Å; L478-L482 HydrophobicContact CG-CG 4.18Å; L478-L482 VanDerWaalsContact O-CG 3.29Å; L478-L482 WeakPolarHBondContact O-CG 3.33Å; L478-L482 PolarHBondContact O-N 3.37Å; L478-V495 HydrophobicContact CD1-CG2 3.75Å; L478-V495 HydrophobicContact CD2-CG1 4.34Å; L478-V495 HydrophobicContact CD2-CG2 4.39Å; L478-F505 HydrophobicContact CD2-CD1 3.96Å; L478-F505 HydrophobicContact CD2-CE1 4.14Å; L478-F505 HydrophobicContact CG-CE1 4.44Å; L478-A506 HydrophobicContact CD2-CB 3.85Å
479	D	98.4	Very high	95.9	Very high	52 Å²	52	42 Å²	42	28%	0.278	22%	0.219	S	C	.	.	H	α-helix	trans	-58.5	-46.1	-179.7	-171.4	51.9	0	0	0	111.9	H475 V481 L482 E483 F505 R509	H475-D479 VanDerWaalsContact O-CB 3.24Å; H475-D479 WeakPolarHBondContact O-CB 3.43Å; H475-D479 PolarHBondContact O-N 3.08Å; D479-V481 PolarHBondContact O-N 3.1Å; D479-L482 PolarHBondContact O-N 3.18Å; D479-E483 WeakPolarHBondContact O-CG 3.34Å; D479-E483 PolarHBondContact O-N 2.93Å; D479-F505 HydrophobicContact CB-CZ 4.3Å; D479-R509 IonicContact OD1-CZ 3.67Å; D479-R509 IonicContact OD1-NE 3.66Å; D479-R509 PolarHBondContact OD1-NE 3.29Å; D479-R509 IonicContact OD1-NH2 3.46Å; D479-R509 PolarHBondContact OD1-NH2 3.42Å
480	Y	97.8	Very high	95.6	Very high	55 Å²	55	45.2 Å²	45.2	22%	0.216	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-45.9	176	-176.9	-87.4	0	0	0	112.3	Y420 T424 V427 R476 L478 L482 E483 E484	Y420-Y480 HydrophobicContact CE2-CG 4.45Å; T424-Y480 HydrophobicContact CG2-CD1 3.69Å; T424-Y480 HydrophobicContact CG2-CD2 3.72Å; T424-Y480 HydrophobicContact CG2-CE1 3.65Å; T424-Y480 HydrophobicContact CG2-CE2 3.66Å; T424-Y480 HydrophobicContact CG2-CG 3.71Å; V427-Y480 HydrophobicContact CB-CE1 4.01Å; V427-Y480 HydrophobicContact CG1-CE1 3.94Å; V427-Y480 HydrophobicContact CG2-CE1 4.27Å; R476-Y480 PolarHBondContact O-N 3.23Å; L478-Y480 VanDerWaalsContact C-N 3.34Å; L478-Y480 PolarHBondContact O-N 2.9Å; Y480-L482 VanDerWaalsContact C-N 3.35Å; Y480-L482 PolarHBondContact O-N 3.1Å; Y480-E483 PolarHBondContact O-N 3.36Å; Y480-E484 PolarHBondContact O-N 3.18Å
481	V	97.8	Very high	95.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-38.5	178.8	178.4	0	0	0	0	110.9	V423 C477 L478 D479 E484 L485 V493	V423-V481 HydrophobicContact CG2-CG2 3.61Å; C477-V481 WeakPolarHBondContact O-CG2 3.31Å; C477-V481 PolarHBondContact O-N 3.48Å; L478-V481 PolarHBondContact O-N 2.76Å; D479-V481 PolarHBondContact O-N 3.1Å; V481-E484 WeakPolarHBondContact O-CB 3.33Å; V481-E484 PolarHBondContact O-N 3.43Å; V481-L485 WeakPolarHBondContact O-CG 3.24Å; V481-L485 PolarHBondContact O-N 3.5Å; V481-V493 HydrophobicContact CG1-CB 3.69Å; V481-V493 HydrophobicContact CG1-CG1 4.2Å; V481-V493 HydrophobicContact CG1-CG2 3.89Å
482	L	97.8	Very high	95.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.1	-39.7	176.5	-67.5	178	0	0	0	112.3	L478 D479 Y480 L485 K486 V493 R509 M510 L513 L515 V522	L478-L482 HydrophobicContact CD1-CD1 3.99Å; L478-L482 HydrophobicContact CD1-CD2 4.23Å; L478-L482 HydrophobicContact CD1-CG 3.85Å; L478-L482 HydrophobicContact CD2-CD1 4.5Å; L478-L482 HydrophobicContact CG-CD1 3.89Å; L478-L482 HydrophobicContact CG-CG 4.18Å; L478-L482 VanDerWaalsContact O-CG 3.29Å; L478-L482 WeakPolarHBondContact O-CG 3.33Å; L478-L482 PolarHBondContact O-N 3.37Å; D479-L482 PolarHBondContact O-N 3.18Å; Y480-L482 VanDerWaalsContact C-N 3.35Å; Y480-L482 PolarHBondContact O-N 3.1Å; L482-L485 HydrophobicContact CD2-CD1 3.93Å; L482-L485 WeakPolarHBondContact O-CB 3.34Å; L482-L485 PolarHBondContact O-N 2.88Å; L482-L485 VanDerWaalsContact O-N 3.16Å; L482-K486 PolarHBondContact O-N 3.32Å; L482-K486 VanDerWaalsContact O-N 3.14Å; L482-V493 HydrophobicContact CD2-CG1 4.3Å; L482-R509 HydrophobicContact CD1-CB 3.62Å; L482-M510 HydrophobicContact CD2-CG 4.48Å; L482-L513 HydrophobicContact CB-CD1 3.65Å; L482-L515 HydrophobicContact CB-CD1 4.36Å; L482-L515 HydrophobicContact CD2-CD1 3.99Å; L482-V522 HydrophobicContact CD2-CG1 4.46Å; L482-V522 HydrophobicContact CD2-CG2 3.62Å
483	E	96.4	Very high	95.5	Very high	69 Å²	69	42.3 Å²	42.3	32%	0.322	20%	0.203	S	C	.	.	H	α-helix	trans	-58.8	-46.7	170.8	-75.1	-81.3	163.1	0	0	110.6	D479 Y480 L485 K486 H487 R509	D479-E483 WeakPolarHBondContact O-CG 3.34Å; D479-E483 PolarHBondContact O-N 2.93Å; Y480-E483 PolarHBondContact O-N 3.36Å; E483-L485 VanDerWaalsContact C-N 3.26Å; E483-L485 PolarHBondContact O-N 2.66Å; E483-K486 WeakPolarHBondContact O-CB 3.47Å; E483-K486 PolarHBondContact O-N 3Å; E483-K486 VanDerWaalsContact O-N 3.09Å; E483-H487 PolarHBondContact O-CD2 2.98Å; E483-H487 VanDerWaalsContact O-CD2 3.23Å; E483-H487 PolarHBondContact O-N 2.88Å; E483-R509 IonicContact OE1-CZ 3.16Å; E483-R509 IonicContact OE1-NH2 2.72Å; E483-R509 PolarHBondContact OE1-NH2 3.26Å
484	E	94.9	Very high	95.5	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-58.1	-40.5	173.7	180	66.6	-165.7	0	0	111.2	V427 R431 Y480 V481 K486 H487 N488 A491	V427-E484 HydrophobicContact CG1-CB 4.17Å; V427-E484 HydrophobicContact CG1-CG 3.6Å; R431-E484 IonicContact CZ-OE1 3.96Å; R431-E484 IonicContact CZ-OE2 3.32Å; R431-E484 IonicContact NE-OE1 2.84Å; R431-E484 PolarHBondContact NE-OE1 2.92Å; R431-E484 VanDerWaalsContact NE-OE1 3.16Å; R431-E484 IonicContact NE-OE2 3.9Å; R431-E484 PolarHBondContact NE-OE2 3.5Å; R431-E484 IonicContact NH2-OE1 3Å; R431-E484 IonicContact NH2-OE2 3.54Å; R431-E484 PolarHBondContact NH2-OE2 2.77Å; Y480-E484 PolarHBondContact O-N 3.18Å; V481-E484 WeakPolarHBondContact O-CB 3.33Å; V481-E484 PolarHBondContact O-N 3.43Å; E484-K486 VanDerWaalsContact C-N 3.28Å; E484-K486 PolarHBondContact O-N 3.43Å; E484-H487 PolarHBondContact O-N 3.3Å; E484-H487 VanDerWaalsContact O-N 3.15Å; E484-N488 HydrophobicContact CG-CB 4.28Å; E484-N488 WeakPolarHBondContact O-CB 3.48Å; E484-N488 PolarHBondContact O-N 3.4Å; E484-N488 WeakPolarHBondContact OE1-CB 3.38Å; E484-N488 PolarHBondContact OE1-ND2 3.16Å; E484-A491 HydrophobicContact CG-CB 4.27Å
485	L	95.3	Very high	95.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.9	-42.1	177.7	-66.2	-178.6	0	0	0	111.2	V481 L482 E483 H487 A491 V493 L515 R521 V522	V481-L485 WeakPolarHBondContact O-CG 3.24Å; V481-L485 PolarHBondContact O-N 3.5Å; L482-L485 HydrophobicContact CD2-CD1 3.93Å; L482-L485 WeakPolarHBondContact O-CB 3.34Å; L482-L485 PolarHBondContact O-N 2.88Å; L482-L485 VanDerWaalsContact O-N 3.16Å; E483-L485 VanDerWaalsContact C-N 3.26Å; E483-L485 PolarHBondContact O-N 2.66Å; L485-H487 PolarHBondContact O-N 2.86Å; L485-A491 HydrophobicContact CD2-CB 3.6Å; L485-A491 WeakPolarHBondContact CD2-O 3.5Å; L485-V493 HydrophobicContact CD1-CG1 4Å; L485-L515 HydrophobicContact CB-CD1 4.08Å; L485-L515 HydrophobicContact CB-CD2 4.01Å; L485-L515 HydrophobicContact CD1-CD1 4.25Å; L485-R521 HydrophobicContact CD1-CB 4.25Å; L485-R521 HydrophobicContact CD2-CB 4.45Å; L485-R521 VanDerWaalsContact CD2-NH2 3.32Å; L485-R521 PolarHBondContact O-NH1 2.97Å; L485-R521 PolarHBondContact O-NH2 3.04Å; L485-V522 HydrophobicContact CD1-CG2 3.52Å
486	K	92.8	Very high	95.4	Very high	108 Å²	108	40 Å²	40	47%	0.47	20%	0.196	S	C	.	.	H	α-helix	trans	-58.1	-37.3	179.1	179.7	177.4	171.8	-173.4	0	112.5	L482 E483 E484 L513	L482-K486 PolarHBondContact O-N 3.32Å; L482-K486 VanDerWaalsContact O-N 3.14Å; E483-K486 WeakPolarHBondContact O-CB 3.47Å; E483-K486 PolarHBondContact O-N 3Å; E483-K486 VanDerWaalsContact O-N 3.09Å; E484-K486 VanDerWaalsContact C-N 3.28Å; E484-K486 PolarHBondContact O-N 3.43Å; K486-L513 HydrophobicContact CD-CB 4.24Å; K486-L513 HydrophobicContact CD-CD2 3.6Å
487	H	88.6	Confident	95.2	Very high	139 Å²	139	34 Å²	34	64%	0.644	17%	0.174	S	C	*	.	H	α-helix	trans	-93.1	-30.8	-174.9	-65.3	-63.4	0	0	0	114.1	E483 E484 L485	E483-H487 PolarHBondContact O-CD2 2.98Å; E483-H487 VanDerWaalsContact O-CD2 3.23Å; E483-H487 PolarHBondContact O-N 2.88Å; E484-H487 PolarHBondContact O-N 3.3Å; E484-H487 VanDerWaalsContact O-N 3.15Å; L485-H487 PolarHBondContact O-N 2.86Å
488	N	85.3	Confident	94.8	Very high	37 Å²	37	36.3 Å²	36.3	20%	0.198	19%	0.185	C	C	.	.			trans	-129.4	108.1	-171.2	-177.9	-0.8	0	0	0	111.1	E484 K490 A491 R521	E484-N488 HydrophobicContact CG-CB 4.28Å; E484-N488 WeakPolarHBondContact O-CB 3.48Å; E484-N488 PolarHBondContact O-N 3.4Å; E484-N488 WeakPolarHBondContact OE1-CB 3.38Å; E484-N488 PolarHBondContact OE1-ND2 3.16Å; N488-K490 PolarHBondContact O-N 2.8Å; N488-K490 VanDerWaalsContact OD1-CB 3.26Å; N488-K490 WeakPolarHBondContact OD1-CB 3.19Å; N488-K490 PolarHBondContact OD1-N 2.87Å; N488-A491 PolarHBondContact O-N 3.2Å; N488-R521 PolarHBondContact O-NH2 2.99Å
489	A	86.2	Confident	94.4	Very high	80 Å²	80	37.8 Å²	37.8	66%	0.661	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-14.9	179.3	0	0	0	0	0	114.4	A491	A489-A491 VanDerWaalsContact C-N 3.32Å; A489-A491 PolarHBondContact O-N 3.35Å
490	K	92	Very high	94.1	Very high	96 Å²	96	36.1 Å²	36.1	42%	0.417	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.7	-175.4	-64.1	-174.5	167.2	-174.6	0	114.8	G434 C436 F437 N488	G434-K490 PolarHBondContact O-NZ 3.32Å; C436-K490 CarbonylContact C-O 3.48Å; C436-K490 VanDerWaalsContact C-O 3.3Å; C436-K490 WeakPolarHBondContact CA-O 3.43Å; C436-K490 HydrophobicContact CB-CB 4.32Å; C436-K490 WeakPolarHBondContact CB-O 3.39Å; F437-K490 PolarHBondContact N-O 3.17Å; N488-K490 PolarHBondContact O-N 2.8Å; N488-K490 VanDerWaalsContact OD1-CB 3.26Å; N488-K490 WeakPolarHBondContact OD1-CB 3.19Å; N488-K490 PolarHBondContact OD1-N 2.87Å
491	A	95.4	Very high	94	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	151.1	175.7	0	0	0	0	0	112.4	F437 E484 L485 N488 A489	F437-A491 HydrophobicContact CB-CB 4.11Å; F437-A491 HydrophobicContact CD1-CB 4.36Å; F437-A491 CarbonylContact O-C 3.55Å; F437-A491 VanDerWaalsContact O-CA 3.31Å; F437-A491 WeakPolarHBondContact O-CA 3.38Å; E484-A491 HydrophobicContact CG-CB 4.27Å; L485-A491 HydrophobicContact CD2-CB 3.6Å; L485-A491 WeakPolarHBondContact CD2-O 3.5Å; N488-A491 PolarHBondContact O-N 3.2Å; A489-A491 VanDerWaalsContact C-N 3.32Å; A489-A491 PolarHBondContact O-N 3.35Å
492	K	97.1	Very high	93.9	Very high	30 Å²	30	38.6 Å²	38.6	13%	0.13	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.1	168.9	-61.2	-167.1	-178	-154.9	0	111.7	P406 F409 F437 A439 H520 R521 Y523	P406-K492 HydrophobicContact CB-CB 4.39Å; P406-K492 HydrophobicContact CG-CB 3.99Å; P406-K492 HydrophobicContact CG-CD 4.15Å; P406-K492 HydrophobicContact CG-CG 3.79Å; F409-K492 HydrophobicContact CE1-CB 4.22Å; F409-K492 HydrophobicContact CZ-CB 4.1Å; F437-K492 PolarHBondContact O-N 2.6Å; A439-K492 PolarHBondContact N-O 3.21Å; K492-H520 WeakPolarHBondContact CD-O 3.44Å; K492-H520 WeakPolarHBondContact CE-O 3.5Å; K492-H520 PolarHBondContact NZ-O 3.17Å; K492-R521 WeakPolarHBondContact CA-O 3.16Å; K492-Y523 HydrophobicContact CB-CE2 3.97Å; K492-Y523 HydrophobicContact CD-CE2 3.84Å; K492-Y523 WeakPolarHBondContact CD-OH 3.46Å; K492-Y523 HydrophobicContact CG-CE2 4.48Å; K492-Y523 PolarHBondContact NZ-OH 3.11Å
493	V	98.2	Very high	93.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	139.1	-177	71.9	0	0	0	0	113.1	A439 L441 V481 L482 L485 R521 V522 Y523	A439-V493 HydrophobicContact CB-CG2 4.26Å; A439-V493 CarbonylContact O-C 3.58Å; A439-V493 VanDerWaalsContact O-CA 3.27Å; A439-V493 WeakPolarHBondContact O-CA 3.48Å; L441-V493 HydrophobicContact CD1-CG2 4.22Å; L441-V493 HydrophobicContact CG-CG2 4.03Å; V481-V493 HydrophobicContact CG1-CB 3.69Å; V481-V493 HydrophobicContact CG1-CG1 4.2Å; V481-V493 HydrophobicContact CG1-CG2 3.89Å; L482-V493 HydrophobicContact CD2-CG1 4.3Å; L485-V493 HydrophobicContact CD1-CG1 4Å; V493-R521 PolarHBondContact N-O 3.37Å; V493-V522 HydrophobicContact CG1-CB 4.46Å; V493-V522 HydrophobicContact CG1-CG1 4.16Å; V493-V522 HydrophobicContact CG1-CG2 4.18Å; V493-V522 WeakPolarHBondContact O-CA 3.35Å; V493-Y523 WeakPolarHBondContact O-CD2 3.26Å; V493-Y523 PolarHBondContact O-N 3.16Å
494	M	98.4	Very high	93.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.2	168.2	174.6	69.1	70.6	0	0	109.7	I141 F230 M378 A439 K440 L441 A496 Y523 F524 G525 Y546	I141-M494 HydrophobicContact CD1-CE 4.24Å; F230-M494 HydrophobicContact CD2-CE 4.35Å; F230-M494 HydrophobicContact CE2-CE 3.97Å; F230-M494 HydrophobicContact CZ-CE 4.05Å; M378-M494 HydrophobicContact CE-CE 4.21Å; A439-M494 PolarHBondContact O-N 3.01Å; K440-M494 WeakPolarHBondContact CA-O 3.17Å; K440-M494 HydrophobicContact CB-CB 4.05Å; K440-M494 HydrophobicContact CB-CG 4.41Å; K440-M494 HydrophobicContact CD-CG 4.49Å; K440-M494 HydrophobicContact CG-CB 4.38Å; K440-M494 HydrophobicContact CG-CG 4.22Å; L441-M494 PolarHBondContact N-O 2.85Å; M494-A496 HydrophobicContact CG-CB 4.32Å; M494-A496 PolarHBondContact O-N 3.01Å; M494-Y523 CarbonylContact C-O 3.59Å; M494-Y523 WeakPolarHBondContact CA-O 3.34Å; M494-Y523 VanDerWaalsContact CE-CB 3.45Å; M494-Y523 HydrophobicContact CE-CG 4.16Å; M494-F524 VanDerWaalsContact SD-C 3.59Å; M494-G525 PolarHBondContact SD-N 3.27Å; M494-Y546 HydrophobicContact CE-CD2 3.88Å; M494-Y546 HydrophobicContact CE-CG 4.11Å
495	V	98.5	Very high	94	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	86.7	171.7	-172.9	0	0	0	0	108.6	Y474 L478 S497 A506 V522 Y523 F524 G525	Y474-V495 HydrophobicContact CE1-CG1 4.31Å; Y474-V495 WeakPolarHBondContact OH-CG1 3.37Å; L478-V495 HydrophobicContact CD1-CG2 3.75Å; L478-V495 HydrophobicContact CD2-CG1 4.34Å; L478-V495 HydrophobicContact CD2-CG2 4.39Å; V495-S497 PolarHBondContact O-N 3.27Å; V495-A506 HydrophobicContact CG1-CB 4.4Å; V495-A506 HydrophobicContact CG2-CB 4.46Å; V495-V522 HydrophobicContact CG2-CG1 3.83Å; V495-Y523 PolarHBondContact N-O 3.11Å; V495-F524 HydrophobicContact CB-CD1 4.04Å; V495-F524 HydrophobicContact CB-CE1 4.23Å; V495-F524 HydrophobicContact CG1-CD1 4.32Å; V495-F524 HydrophobicContact CG1-CE1 4.37Å; V495-F524 HydrophobicContact CG2-CE1 4.43Å; V495-G525 PolarHBondContact O-N 2.95Å
496	A	96.4	Very high	94.1	Very high	22 Å²	22	40.4 Å²	40.4	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	95.1	179.7	0	0	0	0	0	110.9	K440 L441 V442 Y474 M494 G525	K440-A496 HydrophobicContact CD-CB 4.49Å; K440-A496 HydrophobicContact CG-CB 4.19Å; L441-A496 WeakPolarHBondContact O-CB 3.06Å; L441-A496 PolarHBondContact O-N 2.91Å; L441-A496 VanDerWaalsContact O-N 3.11Å; V442-A496 HydrophobicContact CG1-CB 3.73Å; Y474-A496 PolarHBondContact OH-N 2.98Å; M494-A496 HydrophobicContact CG-CB 4.32Å; M494-A496 PolarHBondContact O-N 3.01Å; A496-G525 WeakPolarHBondContact CA-O 3.49Å
497	S	94.1	Very high	94.3	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	19%	0.187	C	C	.	.			trans	-155.4	139.8	-178.6	-174.9	0	0	0	0	112.1	R443 V495 N499 G525 Q526	R443-S497 PolarHBondContact NH1-OG 3.08Å; V495-S497 PolarHBondContact O-N 3.27Å; S497-N499 WeakPolarHBondContact OG-CB 3.39Å; S497-N499 PolarHBondContact OG-N 2.98Å; S497-N499 VanDerWaalsContact OG-N 3.1Å; S497-G525 PolarHBondContact N-O 3.33Å; S497-G525 VanDerWaalsContact N-O 3.16Å; S497-Q526 PolarHBondContact O-NE2 2.86Å; S497-Q526 VanDerWaalsContact O-NE2 3.09Å
498	H	90.5	Very high	94.7	Very high	48 Å²	48	36.4 Å²	36.4	22%	0.222	18%	0.182	C	C	.	.			trans	-92.1	-7.2	167	-53.5	130.3	0	0	0	113.2	E500 L527 C531 I534	H498-E500 PolarHBondContact O-N 2.96Å; H498-L527 WeakPolarHBondContact NE2-CG 2.83Å; H498-L527 PolarHBondContact NE2-N 3.16Å; H498-C531 HydrophobicContact CB-CB 4.46Å; H498-I534 VanDerWaalsContact O-CD1 3.29Å; H498-I534 WeakPolarHBondContact O-CD1 3.46Å
499	N	91.1	Very high	95.3	Very high	31 Å²	31	36.2 Å²	36.2	17%	0.166	18%	0.179	C	C	.	.			trans	-79.7	114.6	-179.2	174.8	-62.7	0	0	0	108.9	R443 Y467 S497 D501 T502 V503	R443-N499 VanDerWaalsContact NH1-CB 3.33Å; R443-N499 VanDerWaalsContact NH2-CB 3.31Å; R443-N499 VanDerWaalsContact NH2-CG 3.34Å; R443-N499 PolarHBondContact NH2-ND2 2.96Å; Y467-N499 PolarHBondContact OH-ND2 3.27Å; Y467-N499 VanDerWaalsContact OH-ND2 3.17Å; S497-N499 WeakPolarHBondContact OG-CB 3.39Å; S497-N499 PolarHBondContact OG-N 2.98Å; S497-N499 VanDerWaalsContact OG-N 3.1Å; N499-D501 VanDerWaalsContact C-N 3.29Å; N499-D501 PolarHBondContact O-N 3.15Å; N499-D501 WeakPolarHBondContact OD1-CA 3.31Å; N499-D501 WeakPolarHBondContact OD1-CB 3.47Å; N499-D501 PolarHBondContact OD1-N 2.72Å; N499-T502 WeakPolarHBondContact O-CB 3.25Å; N499-T502 PolarHBondContact O-N 2.93Å; N499-T502 VanDerWaalsContact O-N 3.14Å; N499-T502 PolarHBondContact OD1-N 3.49Å; N499-T502 PolarHBondContact OD1-OG1 2.89Å; N499-V503 PolarHBondContact O-N 3.48Å
500	E	92.5	Very high	95.7	Very high	18 Å²	18	32.6 Å²	32.6	8%	0.084	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-39.3	-178.2	-173.1	178.8	132.1	0	0	112.7	F55 H498 T502 V503 R504 I534 R577	F55-E500 HydrophobicContact CB-CG 4.28Å; F55-E500 HydrophobicContact CD2-CG 3.49Å; F55-E500 VanDerWaalsContact CD2-CG 3.49Å; F55-E500 HydrophobicContact CE2-CG 4.14Å; F55-E500 HydrophobicContact CG-CG 4.12Å; H498-E500 PolarHBondContact O-N 2.96Å; E500-T502 VanDerWaalsContact C-N 3.28Å; E500-T502 PolarHBondContact O-N 3.05Å; E500-V503 PolarHBondContact O-N 3.11Å; E500-V503 VanDerWaalsContact O-N 3.14Å; E500-R504 HydrophobicContact CG-CG 4.35Å; E500-R504 WeakPolarHBondContact O-CG 3.45Å; E500-R504 PolarHBondContact O-N 3.48Å; E500-R504 IonicContact OE1-CZ 3.19Å; E500-R504 VanDerWaalsContact OE1-CZ 3.25Å; E500-R504 IonicContact OE1-NE 2.76Å; E500-R504 PolarHBondContact OE1-NE 3.04Å; E500-R504 IonicContact OE1-NH2 3.18Å; E500-R504 PolarHBondContact OE1-NH2 2.98Å; E500-I534 HydrophobicContact CB-CD1 4.08Å; E500-R577 VanDerWaalsContact CD-NH2 3.27Å; E500-R577 IonicContact OE1-CZ 2.85Å; E500-R577 IonicContact OE1-NH1 2.6Å; E500-R577 PolarHBondContact OE1-NH1 3.4Å; E500-R577 IonicContact OE1-NH2 3.27Å; E500-R577 PolarHBondContact OE1-NH2 2.9Å; E500-R577 IonicContact OE2-CZ 2.75Å; E500-R577 IonicContact OE2-NE 3.35Å; E500-R577 PolarHBondContact OE2-NE 3Å; E500-R577 IonicContact OE2-NH1 3.17Å; E500-R577 PolarHBondContact OE2-NH1 3.32Å; E500-R577 IonicContact OE2-NH2 2.75Å; E500-R577 PolarHBondContact OE2-NH2 3.42Å
501	D	94	Very high	95.8	Very high	106 Å²	106	35 Å²	35	57%	0.567	16%	0.161	S	C	*	.	H	α-helix	trans	-64.7	-35.1	-179.8	-54.5	-39.3	0	0	0	111.7	N499 R504 F505	N499-D501 VanDerWaalsContact C-N 3.29Å; N499-D501 PolarHBondContact O-N 3.15Å; N499-D501 WeakPolarHBondContact OD1-CA 3.31Å; N499-D501 WeakPolarHBondContact OD1-CB 3.47Å; N499-D501 PolarHBondContact OD1-N 2.72Å; D501-R504 PolarHBondContact O-N 3.33Å; D501-F505 VanDerWaalsContact O-CB 3.32Å; D501-F505 WeakPolarHBondContact O-CB 3.48Å; D501-F505 PolarHBondContact O-N 3.09Å
502	T	96.3	Very high	95.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-66.8	-40.7	174.9	-50.9	0	0	0	0	111.2	R443 Y474 N499 E500 F505 A506	R443-T502 PolarHBondContact NH2-OG1 2.87Å; Y474-T502 HydrophobicContact CD1-CG2 3.58Å; Y474-T502 HydrophobicContact CE1-CG2 3.33Å; N499-T502 WeakPolarHBondContact O-CB 3.25Å; N499-T502 PolarHBondContact O-N 2.93Å; N499-T502 VanDerWaalsContact O-N 3.14Å; N499-T502 PolarHBondContact OD1-N 3.49Å; N499-T502 PolarHBondContact OD1-OG1 2.89Å; E500-T502 VanDerWaalsContact C-N 3.28Å; E500-T502 PolarHBondContact O-N 3.05Å; T502-F505 PolarHBondContact O-N 3.48Å; T502-A506 PolarHBondContact O-N 3.05Å
503	V	97.1	Very high	95.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-46.3	175.7	176.4	0	0	0	0	110.1	F55 N499 E500 F505 A506 L507 F524 I534 L538	F55-V503 HydrophobicContact CE2-CG1 4.03Å; F55-V503 HydrophobicContact CZ-CG1 3.63Å; N499-V503 PolarHBondContact O-N 3.48Å; E500-V503 PolarHBondContact O-N 3.11Å; E500-V503 VanDerWaalsContact O-N 3.14Å; V503-F505 VanDerWaalsContact C-N 3.3Å; V503-F505 PolarHBondContact O-N 3.11Å; V503-A506 WeakPolarHBondContact O-CB 3.46Å; V503-A506 PolarHBondContact O-N 3.12Å; V503-A506 VanDerWaalsContact O-N 3.12Å; V503-L507 HydrophobicContact CG1-CD1 4.36Å; V503-L507 HydrophobicContact CG1-CG 4.39Å; V503-L507 WeakPolarHBondContact O-CG 3.34Å; V503-L507 PolarHBondContact O-N 2.8Å; V503-F524 HydrophobicContact CG1-CD1 4.14Å; V503-F524 HydrophobicContact CG1-CE1 4.04Å; V503-I534 HydrophobicContact CB-CG2 4.44Å; V503-I534 HydrophobicContact CG1-CG2 4.16Å; V503-I534 HydrophobicContact CG2-CG2 4Å; V503-L538 HydrophobicContact CG1-CD1 3.91Å; V503-L538 HydrophobicContact CG1-CD2 4.32Å
504	R	96.4	Very high	95.5	Very high	85 Å²	85	42.9 Å²	42.9	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-58.7	-40.7	175.3	-71.6	-177.8	-177.4	-77.1	2.7	112.2	F55 E500 D501 L507 R508	F55-R504 HydrophobicContact CD2-CG 4.12Å; F55-R504 HydrophobicContact CE2-CG 3.86Å; E500-R504 HydrophobicContact CG-CG 4.35Å; E500-R504 WeakPolarHBondContact O-CG 3.45Å; E500-R504 PolarHBondContact O-N 3.48Å; E500-R504 IonicContact OE1-CZ 3.19Å; E500-R504 VanDerWaalsContact OE1-CZ 3.25Å; E500-R504 IonicContact OE1-NE 2.76Å; E500-R504 PolarHBondContact OE1-NE 3.04Å; E500-R504 IonicContact OE1-NH2 3.18Å; E500-R504 PolarHBondContact OE1-NH2 2.98Å; D501-R504 PolarHBondContact O-N 3.33Å; R504-L507 PolarHBondContact O-N 2.99Å; R504-R508 WeakPolarHBondContact O-CG 3.39Å; R504-R508 PolarHBondContact O-N 2.76Å
505	F	97.7	Very high	95.3	Very high	39 Å²	39	43.4 Å²	43.4	17%	0.171	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-49.3	173.3	174.2	-90.9	0	0	0	111.4	H475 L478 D479 D501 T502 V503 L507 R508 R509	H475-F505 HydrophobicContact CB-CD1 4.39Å; H475-F505 HydrophobicContact CB-CE1 3.99Å; H475-F505 HydrophobicContact CB-CE2 4.36Å; H475-F505 HydrophobicContact CB-CZ 3.98Å; H475-F505 AromaticContact CD2-CD1 3.82Å; L478-F505 HydrophobicContact CD2-CD1 3.96Å; L478-F505 HydrophobicContact CD2-CE1 4.14Å; L478-F505 HydrophobicContact CG-CE1 4.44Å; D479-F505 HydrophobicContact CB-CZ 4.3Å; D501-F505 VanDerWaalsContact O-CB 3.32Å; D501-F505 WeakPolarHBondContact O-CB 3.48Å; D501-F505 PolarHBondContact O-N 3.09Å; T502-F505 PolarHBondContact O-N 3.48Å; V503-F505 VanDerWaalsContact C-N 3.3Å; V503-F505 PolarHBondContact O-N 3.11Å; F505-L507 PolarHBondContact O-N 3.37Å; F505-R508 PolarHBondContact O-N 2.73Å; F505-R509 HydrophobicContact CD1-CG 4.46Å; F505-R509 HydrophobicContact CE1-CG 3.99Å; F505-R509 HydrophobicContact CE2-CG 4.13Å; F505-R509 HydrophobicContact CZ-CG 3.81Å; F505-R509 PolarHBondContact O-N 3.26Å
506	A	97.8	Very high	95	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-59.7	-45.1	178	0	0	0	0	0	112.2	L478 V495 T502 V503 R508 R509 M510 F524	L478-A506 HydrophobicContact CD2-CB 3.85Å; V495-A506 HydrophobicContact CG1-CB 4.4Å; V495-A506 HydrophobicContact CG2-CB 4.46Å; T502-A506 PolarHBondContact O-N 3.05Å; V503-A506 WeakPolarHBondContact O-CB 3.46Å; V503-A506 PolarHBondContact O-N 3.12Å; V503-A506 VanDerWaalsContact O-N 3.12Å; A506-R508 PolarHBondContact O-N 3.13Å; A506-R509 PolarHBondContact O-N 3.4Å; A506-M510 WeakPolarHBondContact O-CB 3.4Å; A506-M510 VanDerWaalsContact O-CG 3.27Å; A506-M510 WeakPolarHBondContact O-CG 3.25Å; A506-M510 PolarHBondContact O-N 3.03Å; A506-F524 HydrophobicContact CB-CE1 3.89Å; A506-F524 HydrophobicContact CB-CZ 4.22Å
507	L	97.1	Very high	94.9	Very high	20 Å²	20	44.4 Å²	44.4	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-45.6	178.6	-64.3	-178.8	0	0	0	112.2	V53 F55 V503 R504 F505 M510 E511 F524 L538 Y543	V53-L507 HydrophobicContact CB-CD1 4.32Å; V53-L507 HydrophobicContact CG2-CD1 4.42Å; F55-L507 HydrophobicContact CE2-CD1 4.26Å; F55-L507 HydrophobicContact CZ-CD1 4.01Å; V503-L507 HydrophobicContact CG1-CD1 4.36Å; V503-L507 HydrophobicContact CG1-CG 4.39Å; V503-L507 WeakPolarHBondContact O-CG 3.34Å; V503-L507 PolarHBondContact O-N 2.8Å; R504-L507 PolarHBondContact O-N 2.99Å; F505-L507 PolarHBondContact O-N 3.37Å; L507-M510 PolarHBondContact O-N 2.92Å; L507-E511 PolarHBondContact O-N 2.87Å; L507-F524 HydrophobicContact CD2-CE1 4.38Å; L507-F524 HydrophobicContact CD2-CE2 4.32Å; L507-F524 HydrophobicContact CD2-CZ 3.75Å; L507-L538 HydrophobicContact CD1-CD2 3.99Å; L507-L538 HydrophobicContact CD2-CD2 3.83Å; L507-L538 HydrophobicContact CG-CD2 4.4Å; L507-Y543 HydrophobicContact CD2-CD1 3.92Å; L507-Y543 HydrophobicContact CD2-CE1 3.29Å; L507-Y543 HydrophobicContact CD2-CE2 4.21Å; L507-Y543 VanDerWaalsContact CD2-CZ 3.46Å
508	R	96.5	Very high	94.7	Very high	143 Å²	143	47 Å²	47	54%	0.54	24%	0.241	S	C	.	.	H	α-helix	trans	-61.8	-45.1	176.5	-71.9	-172.9	-57.3	-160.9	4.1	111.7	R504 F505 A506 M510 E511 E512	R504-R508 WeakPolarHBondContact O-CG 3.39Å; R504-R508 PolarHBondContact O-N 2.76Å; F505-R508 PolarHBondContact O-N 2.73Å; A506-R508 PolarHBondContact O-N 3.13Å; R508-M510 VanDerWaalsContact C-N 3.35Å; R508-M510 PolarHBondContact O-N 3.47Å; R508-E511 WeakPolarHBondContact O-CB 3.26Å; R508-E511 PolarHBondContact O-N 2.74Å; R508-E512 WeakPolarHBondContact O-CG 3.48Å; R508-E512 PolarHBondContact O-N 3.27Å
509	R	97.1	Very high	94.7	Very high	33 Å²	33	47.3 Å²	47.3	13%	0.125	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-37.5	177.9	-72.4	-60.5	-65.3	148.2	-7.2	112.7	D479 L482 E483 F505 A506 E511 E512 L513	D479-R509 IonicContact OD1-CZ 3.67Å; D479-R509 IonicContact OD1-NE 3.66Å; D479-R509 PolarHBondContact OD1-NE 3.29Å; D479-R509 IonicContact OD1-NH2 3.46Å; D479-R509 PolarHBondContact OD1-NH2 3.42Å; L482-R509 HydrophobicContact CD1-CB 3.62Å; E483-R509 IonicContact OE1-CZ 3.16Å; E483-R509 IonicContact OE1-NH2 2.72Å; E483-R509 PolarHBondContact OE1-NH2 3.26Å; F505-R509 HydrophobicContact CD1-CG 4.46Å; F505-R509 HydrophobicContact CE1-CG 3.99Å; F505-R509 HydrophobicContact CE2-CG 4.13Å; F505-R509 HydrophobicContact CZ-CG 3.81Å; F505-R509 PolarHBondContact O-N 3.26Å; A506-R509 PolarHBondContact O-N 3.4Å; R509-E511 VanDerWaalsContact C-N 3.33Å; R509-E511 PolarHBondContact O-N 3.4Å; R509-E512 VanDerWaalsContact CD-OE2 3.23Å; R509-E512 WeakPolarHBondContact CD-OE2 3.36Å; R509-E512 IonicContact CZ-OE2 3.8Å; R509-E512 IonicContact NE-OE2 2.64Å; R509-E512 IonicContact NH1-OE2 3.4Å; R509-E512 PolarHBondContact NH1-OE2 3.06Å; R509-E512 PolarHBondContact O-N 2.96Å; R509-L513 VanDerWaalsContact O-CB 3.28Å; R509-L513 WeakPolarHBondContact O-CB 3.31Å; R509-L513 VanDerWaalsContact O-CG 3.22Å; R509-L513 WeakPolarHBondContact O-CG 3.49Å; R509-L513 PolarHBondContact O-N 3.38Å
510	M	96	Very high	94.8	Very high	4 Å²	4	50 Å²	50	2%	0.02	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-44	171.9	-73.8	174.6	67.4	0	0	111.7	L482 A506 L507 R508 L513 G514 L515 V522 F524 Y543	L482-M510 HydrophobicContact CD2-CG 4.48Å; A506-M510 WeakPolarHBondContact O-CB 3.4Å; A506-M510 VanDerWaalsContact O-CG 3.27Å; A506-M510 WeakPolarHBondContact O-CG 3.25Å; A506-M510 PolarHBondContact O-N 3.03Å; L507-M510 PolarHBondContact O-N 2.92Å; R508-M510 VanDerWaalsContact C-N 3.35Å; R508-M510 PolarHBondContact O-N 3.47Å; M510-L513 PolarHBondContact O-N 3.01Å; M510-G514 PolarHBondContact O-N 2.76Å; M510-L515 HydrophobicContact CB-CB 4.13Å; M510-L515 HydrophobicContact CG-CB 4.22Å; M510-L515 HydrophobicContact CG-CD1 4.42Å; M510-L515 PolarHBondContact O-N 2.98Å; M510-V522 HydrophobicContact CE-CB 3.97Å; M510-V522 HydrophobicContact CE-CG2 4.17Å; M510-V522 HydrophobicContact CG-CG2 4.17Å; M510-V522 HydrophobicContact SD-CB 3.81Å; M510-V522 HydrophobicContact SD-CG1 3.74Å; M510-V522 HydrophobicContact SD-CG2 4.03Å; M510-F524 HydrophobicContact SD-CE2 4.11Å; M510-F524 HydrophobicContact SD-CZ 3.87Å; M510-Y543 HydrophobicContact CE-CD1 4.13Å; M510-Y543 HydrophobicContact CE-CE1 3.82Å; M510-Y543 HydrophobicContact SD-CE1 4.19Å
511	E	94.2	Very high	94.8	Very high	146 Å²	146	50.8 Å²	50.8	68%	0.682	26%	0.258	S	S	*	.	H	α-helix	trans	-62.9	-49.2	176.4	-176.7	172.8	-155	0	0	111.9	L507 R508 R509 L513 G514	L507-E511 PolarHBondContact O-N 2.87Å; R508-E511 WeakPolarHBondContact O-CB 3.26Å; R508-E511 PolarHBondContact O-N 2.74Å; R509-E511 VanDerWaalsContact C-N 3.33Å; R509-E511 PolarHBondContact O-N 3.4Å; E511-L513 VanDerWaalsContact C-N 3.27Å; E511-L513 PolarHBondContact O-N 3.32Å; E511-G514 PolarHBondContact O-N 3.27Å; E511-G514 VanDerWaalsContact O-N 3.12Å
512	E	95.4	Very high	95	Very high	124 Å²	124	46 Å²	46	58%	0.579	23%	0.232	S	C	*	.	H	α-helix	trans	-59.7	-35	177.8	-71.5	168.9	-158.8	0	0	113.2	R508 R509	R508-E512 WeakPolarHBondContact O-CG 3.48Å; R508-E512 PolarHBondContact O-N 3.27Å; R509-E512 VanDerWaalsContact CD-OE2 3.23Å; R509-E512 WeakPolarHBondContact CD-OE2 3.36Å; R509-E512 IonicContact CZ-OE2 3.8Å; R509-E512 IonicContact NE-OE2 2.64Å; R509-E512 IonicContact NH1-OE2 3.4Å; R509-E512 PolarHBondContact NH1-OE2 3.06Å; R509-E512 PolarHBondContact O-N 2.96Å
513	L	95.6	Very high	95.1	Very high	13 Å²	13	46 Å²	46	7%	0.068	23%	0.232	C	C	.	.	H	α-helix	trans	-90.3	-4.4	-179.9	-64.6	171	0	0	0	113.4	L482 K486 R509 M510 E511 L515	L482-L513 HydrophobicContact CB-CD1 3.65Å; K486-L513 HydrophobicContact CD-CB 4.24Å; K486-L513 HydrophobicContact CD-CD2 3.6Å; R509-L513 VanDerWaalsContact O-CB 3.28Å; R509-L513 WeakPolarHBondContact O-CB 3.31Å; R509-L513 VanDerWaalsContact O-CG 3.22Å; R509-L513 WeakPolarHBondContact O-CG 3.49Å; R509-L513 PolarHBondContact O-N 3.38Å; M510-L513 PolarHBondContact O-N 3.01Å; E511-L513 VanDerWaalsContact C-N 3.27Å; E511-L513 PolarHBondContact O-N 3.32Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 HydrophobicContact CB-CD1 4.21Å; L513-L515 HydrophobicContact CB-CG 4.05Å; L513-L515 HydrophobicContact CD1-CD1 4.29Å; L513-L515 PolarHBondContact O-N 3.19Å
514	G	93.1	Very high	95.1	Very high	61 Å²	61	46 Å²	46	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.3	24.3	-177.3	0	0	0	0	0	114.3	M510 E511 H516	M510-G514 PolarHBondContact O-N 2.76Å; E511-G514 PolarHBondContact O-N 3.27Å; E511-G514 VanDerWaalsContact O-N 3.12Å; G514-H516 PolarHBondContact O-N 3.24Å
515	L	93.5	Very high	95.1	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.058	22%	0.22	C	C	.	.			trans	-80.6	111	177.5	-63.8	173.8	0	0	0	110	L482 L485 M510 L513 V522	L482-L515 HydrophobicContact CB-CD1 4.36Å; L482-L515 HydrophobicContact CD2-CD1 3.99Å; L485-L515 HydrophobicContact CB-CD1 4.08Å; L485-L515 HydrophobicContact CB-CD2 4.01Å; L485-L515 HydrophobicContact CD1-CD1 4.25Å; M510-L515 HydrophobicContact CB-CB 4.13Å; M510-L515 HydrophobicContact CG-CB 4.22Å; M510-L515 HydrophobicContact CG-CD1 4.42Å; M510-L515 PolarHBondContact O-N 2.98Å; L513-L515 VanDerWaalsContact C-N 3.31Å; L513-L515 HydrophobicContact CB-CD1 4.21Å; L513-L515 HydrophobicContact CB-CG 4.05Å; L513-L515 HydrophobicContact CD1-CD1 4.29Å; L513-L515 PolarHBondContact O-N 3.19Å; L515-V522 HydrophobicContact CD1-CG2 4.46Å
516	H	93.6	Very high	94.9	Very high	37 Å²	37	40.5 Å²	40.5	17%	0.171	21%	0.212	C	C	.	.			trans	-89.6	140.9	-175.9	-167.7	-88.1	0	0	0	111.2	G514 A518 D519	G514-H516 PolarHBondContact O-N 3.24Å; H516-A518 VanDerWaalsContact ND1-CB 3.28Å; H516-A518 WeakPolarHBondContact ND1-CB 3.43Å; H516-A518 PolarHBondContact ND1-N 2.72Å; H516-A518 VanDerWaalsContact ND1-N 3.16Å; H516-A518 PolarHBondContact O-N 3.32Å; H516-D519 WeakPolarHBondContact CB-OD2 3.48Å; H516-D519 PolarHBondContact N-OD2 3.14Å; H516-D519 VanDerWaalsContact N-OD2 3.08Å; H516-D519 WeakPolarHBondContact O-CB 3.43Å; H516-D519 PolarHBondContact O-N 3.3Å
517	P	92.6	Very high	94.6	Very high	6 Å²	6	41.6 Å²	41.6	4%	0.039	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-54.7	-37.9	179.8	-28.2	35.7	0	0	0	114.2	V50 D519 H520 Y543	V50-P517 HydrophobicContact CG1-CG 3.95Å; P517-D519 PolarHBondContact O-N 3.5Å; P517-D519 VanDerWaalsContact O-N 3.16Å; P517-H520 PolarHBondContact O-N 3.1Å; P517-H520 VanDerWaalsContact O-N 3.11Å; P517-Y543 HydrophobicContact CB-CD1 3.96Å; P517-Y543 HydrophobicContact CB-CE1 4.27Å; P517-Y543 HydrophobicContact CB-CG 4.2Å; P517-Y543 HydrophobicContact CG-CD1 3.7Å; P517-Y543 HydrophobicContact CG-CD2 4.32Å; P517-Y543 HydrophobicContact CG-CE1 3.49Å; P517-Y543 VanDerWaalsContact CG-CE1 3.49Å; P517-Y543 HydrophobicContact CG-CE2 4.12Å; P517-Y543 HydrophobicContact CG-CG 4.14Å
518	A	91.2	Very high	94.3	Very high	62 Å²	62	40.9 Å²	40.9	51%	0.512	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-65.6	-11.4	177.7	0	0	0	0	0	114.4	H516 H520	H516-A518 VanDerWaalsContact ND1-CB 3.28Å; H516-A518 WeakPolarHBondContact ND1-CB 3.43Å; H516-A518 PolarHBondContact ND1-N 2.72Å; H516-A518 VanDerWaalsContact ND1-N 3.16Å; H516-A518 PolarHBondContact O-N 3.32Å; A518-H520 PolarHBondContact O-CD2 3.05Å; A518-H520 PolarHBondContact O-N 3.02Å
519	D	90.8	Very high	93.9	Very high	54 Å²	54	34.2 Å²	34.2	29%	0.289	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-75.1	-12.7	174.6	-56.8	-36.1	0	0	0	111.3	R47 H516 P517 R521	R47-D519 IonicContact CZ-OD1 2.75Å; R47-D519 IonicContact NH1-OD1 2.89Å; R47-D519 PolarHBondContact NH1-OD1 2.9Å; R47-D519 IonicContact NH1-OD2 3.55Å; R47-D519 IonicContact NH2-OD1 3.43Å; H516-D519 WeakPolarHBondContact CB-OD2 3.48Å; H516-D519 PolarHBondContact N-OD2 3.14Å; H516-D519 VanDerWaalsContact N-OD2 3.08Å; H516-D519 WeakPolarHBondContact O-CB 3.43Å; H516-D519 PolarHBondContact O-N 3.3Å; P517-D519 PolarHBondContact O-N 3.5Å; P517-D519 VanDerWaalsContact O-N 3.16Å; D519-R521 VanDerWaalsContact C-N 3.34Å; D519-R521 HydrophobicContact CB-CG 3.82Å; D519-R521 WeakPolarHBondContact O-CG 3.23Å; D519-R521 PolarHBondContact O-N 2.93Å
520	H	91.8	Very high	93.4	Very high	86 Å²	86	32.8 Å²	32.8	40%	0.398	19%	0.185	S	C	.	.			trans	52.2	47.6	179.6	-65.5	-84.1	0	0	0	113.5	K492 P517 A518 Y523	K492-H520 WeakPolarHBondContact CD-O 3.44Å; K492-H520 WeakPolarHBondContact CE-O 3.5Å; K492-H520 PolarHBondContact NZ-O 3.17Å; P517-H520 PolarHBondContact O-N 3.1Å; P517-H520 VanDerWaalsContact O-N 3.11Å; A518-H520 PolarHBondContact O-CD2 3.05Å; A518-H520 PolarHBondContact O-N 3.02Å; H520-Y523 PolarHBondContact O-OH 3.49Å
521	R	94.1	Very high	93.1	Very high	36 Å²	36	33 Å²	33	14%	0.136	19%	0.187	C	C	.	.			trans	-112.9	-29.7	-177.3	-52.6	-174.1	62.8	-163.8	-8.3	113.9	L485 N488 K492 V493 D519	L485-R521 HydrophobicContact CD1-CB 4.25Å; L485-R521 HydrophobicContact CD2-CB 4.45Å; L485-R521 VanDerWaalsContact CD2-NH2 3.32Å; L485-R521 PolarHBondContact O-NH1 2.97Å; L485-R521 PolarHBondContact O-NH2 3.04Å; N488-R521 PolarHBondContact O-NH2 2.99Å; K492-R521 WeakPolarHBondContact CA-O 3.16Å; V493-R521 PolarHBondContact N-O 3.37Å; D519-R521 VanDerWaalsContact C-N 3.34Å; D519-R521 HydrophobicContact CB-CG 3.82Å; D519-R521 WeakPolarHBondContact O-CG 3.23Å; D519-R521 PolarHBondContact O-N 2.93Å
522	V	97.2	Very high	93	Very high	5 Å²	5	26.4 Å²	26.4	3%	0.03	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.1	175.3	-173.7	0	0	0	0	108	L482 L485 V493 V495 M510 L515 F524	L482-V522 HydrophobicContact CD2-CG1 4.46Å; L482-V522 HydrophobicContact CD2-CG2 3.62Å; L485-V522 HydrophobicContact CD1-CG2 3.52Å; V493-V522 HydrophobicContact CG1-CB 4.46Å; V493-V522 HydrophobicContact CG1-CG1 4.16Å; V493-V522 HydrophobicContact CG1-CG2 4.18Å; V493-V522 WeakPolarHBondContact O-CA 3.35Å; V495-V522 HydrophobicContact CG2-CG1 3.83Å; M510-V522 HydrophobicContact CE-CB 3.97Å; M510-V522 HydrophobicContact CE-CG2 4.17Å; M510-V522 HydrophobicContact CG-CG2 4.17Å; M510-V522 HydrophobicContact SD-CB 3.81Å; M510-V522 HydrophobicContact SD-CG1 3.74Å; M510-V522 HydrophobicContact SD-CG2 4.03Å; L515-V522 HydrophobicContact CD1-CG2 4.46Å; V522-F524 HydrophobicContact CG1-CE2 4.04Å; V522-F524 HydrophobicContact CG1-CZ 4.06Å
523	Y	97.6	Very high	92.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.7	177	-51.5	-77.5	0	0	0	109.9	F230 R376 F409 K492 V493 M494 V495 H520 P544 Y546	F230-Y523 HydrophobicContact CE2-CD1 4.46Å; F230-Y523 HydrophobicContact CZ-CD2 4.17Å; F230-Y523 HydrophobicContact CZ-CE2 4.16Å; F230-Y523 HydrophobicContact CZ-CG 4.44Å; R376-Y523 PolarHBondContact NH1-OH 3.21Å; R376-Y523 PolarHBondContact NH2-OH 2.81Å; F409-Y523 HydrophobicContact CE1-CD2 4.4Å; F409-Y523 HydrophobicContact CE1-CE2 4.26Å; F409-Y523 HydrophobicContact CZ-CE2 4.05Å; K492-Y523 HydrophobicContact CB-CE2 3.97Å; K492-Y523 HydrophobicContact CD-CE2 3.84Å; K492-Y523 WeakPolarHBondContact CD-OH 3.46Å; K492-Y523 HydrophobicContact CG-CE2 4.48Å; K492-Y523 PolarHBondContact NZ-OH 3.11Å; V493-Y523 WeakPolarHBondContact O-CD2 3.26Å; V493-Y523 PolarHBondContact O-N 3.16Å; M494-Y523 CarbonylContact C-O 3.59Å; M494-Y523 WeakPolarHBondContact CA-O 3.34Å; M494-Y523 VanDerWaalsContact CE-CB 3.45Å; M494-Y523 HydrophobicContact CE-CG 4.16Å; V495-Y523 PolarHBondContact N-O 3.11Å; H520-Y523 PolarHBondContact O-OH 3.49Å; Y523-P544 CarbonylContact C-O 3.3Å; Y523-P544 WeakPolarHBondContact CA-O 3.32Å; Y523-P544 HydrophobicContact CD1-CB 3.47Å; Y523-P544 VanDerWaalsContact CD1-CB 3.47Å; Y523-P544 HydrophobicContact CD1-CG 4.37Å; Y523-P544 HydrophobicContact CE1-CB 3.99Å; Y523-P544 HydrophobicContact CG-CB 4.47Å; Y523-Y546 HydrophobicContact CD1-CD2 4.37Å; Y523-Y546 AromaticContact CD1-CE2 3.61Å; Y523-Y546 HydrophobicContact CD1-CE2 3.61Å; Y523-Y546 HydrophobicContact CE1-CE2 4.28Å; Y523-Y546 HydrophobicContact CG-CE2 4.32Å
524	F	98	Very high	92.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.7	175.4	-65.3	-90.9	0	0	0	110.4	M494 V495 V503 A506 L507 M510 V522 L538 Y543 P544 V545 Y546	M494-F524 VanDerWaalsContact SD-C 3.59Å; V495-F524 HydrophobicContact CB-CD1 4.04Å; V495-F524 HydrophobicContact CB-CE1 4.23Å; V495-F524 HydrophobicContact CG1-CD1 4.32Å; V495-F524 HydrophobicContact CG1-CE1 4.37Å; V495-F524 HydrophobicContact CG2-CE1 4.43Å; V503-F524 HydrophobicContact CG1-CD1 4.14Å; V503-F524 HydrophobicContact CG1-CE1 4.04Å; A506-F524 HydrophobicContact CB-CE1 3.89Å; A506-F524 HydrophobicContact CB-CZ 4.22Å; L507-F524 HydrophobicContact CD2-CE1 4.38Å; L507-F524 HydrophobicContact CD2-CE2 4.32Å; L507-F524 HydrophobicContact CD2-CZ 3.75Å; M510-F524 HydrophobicContact SD-CE2 4.11Å; M510-F524 HydrophobicContact SD-CZ 3.87Å; V522-F524 HydrophobicContact CG1-CE2 4.04Å; V522-F524 HydrophobicContact CG1-CZ 4.06Å; F524-L538 HydrophobicContact CB-CD1 3.95Å; F524-L538 HydrophobicContact CD1-CD1 4.08Å; F524-L538 HydrophobicContact CD2-CD1 4.4Å; F524-L538 HydrophobicContact CG-CD1 3.87Å; F524-Y543 HydrophobicContact CD2-CD1 4.43Å; F524-Y543 AromaticContact CE2-CD1 3.71Å; F524-Y543 HydrophobicContact CE2-CD1 3.71Å; F524-Y543 HydrophobicContact CE2-CE1 4.42Å; F524-Y543 HydrophobicContact CE2-CG 4.39Å; F524-Y543 HydrophobicContact CZ-CD1 4.45Å; F524-P544 PolarHBondContact N-O 3.45Å; F524-V545 HydrophobicContact CB-CG2 4.16Å; F524-V545 CarbonylContact O-C 3.42Å; F524-V545 WeakPolarHBondContact O-CA 3.28Å; F524-Y546 PolarHBondContact O-N 3.27Å
525	G	96.1	Very high	92.9	Very high	6 Å²	6	17.3 Å²	17.3	6%	0.062	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127	-175.8	0	0	0	0	0	112.7	M494 V495 A496 S497 Y546	M494-G525 PolarHBondContact SD-N 3.27Å; V495-G525 PolarHBondContact O-N 2.95Å; A496-G525 WeakPolarHBondContact CA-O 3.49Å; S497-G525 PolarHBondContact N-O 3.33Å; S497-G525 VanDerWaalsContact N-O 3.16Å; G525-Y546 WeakPolarHBondContact CA-O 3.39Å
526	Q	94	Very high	93	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.019	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	169.1	170.4	-69.3	82.7	45.5	0	0	111.2	S497 C531 S535 Y546 K547 Y548	S497-Q526 PolarHBondContact O-NE2 2.86Å; S497-Q526 VanDerWaalsContact O-NE2 3.09Å; Q526-C531 HydrophobicContact CG-CB 4.49Å; Q526-S535 WeakPolarHBondContact CB-OG 3.37Å; Q526-S535 PolarHBondContact OE1-OG 3.29Å; Q526-Y546 PolarHBondContact N-O 3.37Å; Q526-K547 HydrophobicContact CB-CD 4.08Å; Q526-K547 CarbonylContact O-C 3.35Å; Q526-K547 VanDerWaalsContact O-CA 3.28Å; Q526-K547 WeakPolarHBondContact O-CA 3.25Å; Q526-Y548 PolarHBondContact O-N 3.18Å
527	L	90.5	Very high	93	Very high	23 Å²	23	15.6 Å²	15.6	12%	0.12	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	148.3	178.4	-66	179.8	0	0	0	109.6	H498 G529 M530 K547 Y548	H498-L527 WeakPolarHBondContact NE2-CG 2.83Å; H498-L527 PolarHBondContact NE2-N 3.16Å; L527-G529 PolarHBondContact O-N 3.47Å; L527-M530 HydrophobicContact CB-CB 4.4Å; L527-M530 HydrophobicContact CB-CG 4.49Å; L527-M530 HydrophobicContact CB-SD 4.06Å; L527-M530 HydrophobicContact CD1-SD 3.85Å; L527-M530 PolarHBondContact O-N 3.48Å; L527-M530 VanDerWaalsContact O-O 3.14Å; L527-K547 WeakPolarHBondContact O-CD 3.41Å; L527-K547 PolarHBondContact O-NZ 2.93Å; L527-Y548 HydrophobicContact CD2-CD1 3.94Å; L527-Y548 HydrophobicContact CD2-CG 3.92Å
528	L	91.3	Very high	93.2	Very high	4 Å²	4	15.3 Å²	15.3	2%	0.021	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	135.3	168.3	177.8	61.2	0	0	0	110.4	F117 A119 L129 Y133 M530 Y548 V549	F117-L528 WeakPolarHBondContact O-CD2 3.31Å; A119-L528 HydrophobicContact CB-CD2 4.01Å; L129-L528 HydrophobicContact CD2-CD1 4.44Å; L129-L528 HydrophobicContact CD2-CD2 4.4Å; Y133-L528 HydrophobicContact CE2-CD1 3.88Å; Y133-L528 WeakPolarHBondContact OH-CD1 3.36Å; L528-M530 VanDerWaalsContact C-N 3.3Å; L528-Y548 VanDerWaalsContact CB-O 3.24Å; L528-Y548 WeakPolarHBondContact CB-O 3.17Å; L528-Y548 PolarHBondContact N-O 3.06Å; L528-V549 HydrophobicContact CB-CG2 4.41Å; L528-V549 HydrophobicContact CD2-CG1 4.2Å; L528-V549 HydrophobicContact CD2-CG2 4.42Å
529	G	87.9	Confident	93.3	Very high	3 Å²	3	12.6 Å²	12.6	3%	0.031	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	3.8	-179.3	0	0	0	0	0	114.4	H116 L527	H116-G529 PolarHBondContact CE1-O 3.02Å; H116-G529 VanDerWaalsContact CE1-O 3.3Å; H116-G529 PolarHBondContact NE2-O 3.43Å; H116-G529 VanDerWaalsContact O-CA 3.31Å; H116-G529 WeakPolarHBondContact O-CA 3.45Å; L527-G529 PolarHBondContact O-N 3.47Å
530	M	87.1	Confident	93.4	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.02	7%	0.065	C	C	.	.	S	Bend	trans	-134.4	138.6	-178.3	-60.4	177	69.8	0	0	111.5	F117 L527 L528 D532 K547 N568 L571	F117-M530 HydrophobicContact CE1-CG 4.21Å; L527-M530 HydrophobicContact CB-CB 4.4Å; L527-M530 HydrophobicContact CB-CG 4.49Å; L527-M530 HydrophobicContact CB-SD 4.06Å; L527-M530 HydrophobicContact CD1-SD 3.85Å; L527-M530 PolarHBondContact O-N 3.48Å; L527-M530 VanDerWaalsContact O-O 3.14Å; L528-M530 VanDerWaalsContact C-N 3.3Å; M530-D532 PolarHBondContact O-N 3.33Å; M530-K547 PolarHBondContact O-NZ 3.28Å; M530-N568 PolarHBondContact SD-ND2 3.05Å; M530-L571 HydrophobicContact CE-CD1 3.6Å
531	C	89	Confident	93.5	Very high	8 Å²	8	9.7 Å²	9.7	5%	0.054	5%	0.054	C	C	.	.			trans	57.1	43.3	170.9	-63	0	0	0	0	114.3	H498 Q526 Q533 I534 S535 E578	H498-C531 HydrophobicContact CB-CB 4.46Å; Q526-C531 HydrophobicContact CG-CB 4.49Å; C531-Q533 PolarHBondContact O-N 3.49Å; C531-I534 HydrophobicContact CB-CB 4.4Å; C531-I534 HydrophobicContact CB-CD1 4.07Å; C531-I534 HydrophobicContact CB-CG1 4.3Å; C531-I534 PolarHBondContact O-N 3.02Å; C531-S535 PolarHBondContact O-N 2.62Å; C531-S535 VanDerWaalsContact O-N 3.17Å; C531-S535 PolarHBondContact O-OG 3.41Å; C531-E578 VanDerWaalsContact N-CD 3.3Å; C531-E578 PolarHBondContact N-OE1 3.15Å; C531-E578 PolarHBondContact N-OE2 2.94Å
532	D	92.1	Very high	93.4	Very high	7 Å²	7	10.2 Å²	10.2	4%	0.037	7%	0.071	C	C	.	.	H	α-helix	trans	-61.2	-30.8	174	-84	4.5	0	0	0	112.3	Y62 R65 M530 I534 S535 F536 P537 K547 E578	Y62-D532 HydrophobicContact CD1-CB 4.32Å; Y62-D532 HydrophobicContact CE1-CB 3.77Å; R65-D532 IonicContact CZ-OD2 2.76Å; R65-D532 IonicContact NE-OD2 3.77Å; R65-D532 PolarHBondContact NE-OD2 3.12Å; R65-D532 IonicContact NH2-OD1 3.67Å; R65-D532 IonicContact NH2-OD2 3.69Å; R65-D532 PolarHBondContact NH2-OD2 3.24Å; M530-D532 PolarHBondContact O-N 3.33Å; D532-I534 PolarHBondContact O-N 3.14Å; D532-I534 VanDerWaalsContact O-N 3.1Å; D532-S535 PolarHBondContact O-N 3.44Å; D532-F536 HydrophobicContact CB-CD2 3.83Å; D532-F536 HydrophobicContact CB-CE2 4.15Å; D532-F536 PolarHBondContact O-N 3.47Å; D532-P537 WeakPolarHBondContact O-CD 3.44Å; D532-K547 WeakPolarHBondContact OD1-CE 3.3Å; D532-K547 IonicContact OD1-NZ 3.4Å; D532-K547 PolarHBondContact OD1-NZ 3.28Å; D532-E578 PolarHBondContact N-OE1 3.01Å
533	Q	92.8	Very high	93.4	Very high	6 Å²	6	10.6 Å²	10.6	3%	0.028	7%	0.072	C	C	.	.	H	α-helix	trans	-62.5	-11.6	171.8	73.5	-79.5	3.5	0	0	114.7	F55 A61 Y62 C531 P537 E578 L581	F55-Q533 VanDerWaalsContact CD1-O 3.3Å; F55-Q533 WeakPolarHBondContact CD1-O 3.42Å; A61-Q533 HydrophobicContact CB-CB 3.91Å; Y62-Q533 PolarHBondContact OH-OE1 3.21Å; C531-Q533 PolarHBondContact O-N 3.49Å; Q533-P537 WeakPolarHBondContact O-CG 3.4Å; Q533-E578 PolarHBondContact OE1-OE1 3.46Å; Q533-L581 HydrophobicContact CB-CD1 3.62Å; Q533-L581 HydrophobicContact CG-CD1 3.72Å
534	I	94.3	Very high	93.3	Very high	2 Å²	2	11 Å²	11	1%	0.01	8%	0.075	C	C	.	.	H	α-helix	trans	-100.7	-54.1	172.2	-61.2	180	0	0	0	109.2	F55 H498 E500 V503 C531 D532 F536 L538	F55-I534 HydrophobicContact CE1-CB 4.44Å; F55-I534 HydrophobicContact CE1-CG2 4.13Å; F55-I534 HydrophobicContact CZ-CG2 4.38Å; H498-I534 VanDerWaalsContact O-CD1 3.29Å; H498-I534 WeakPolarHBondContact O-CD1 3.46Å; E500-I534 HydrophobicContact CB-CD1 4.08Å; V503-I534 HydrophobicContact CB-CG2 4.44Å; V503-I534 HydrophobicContact CG1-CG2 4.16Å; V503-I534 HydrophobicContact CG2-CG2 4Å; C531-I534 HydrophobicContact CB-CB 4.4Å; C531-I534 HydrophobicContact CB-CD1 4.07Å; C531-I534 HydrophobicContact CB-CG1 4.3Å; C531-I534 PolarHBondContact O-N 3.02Å; D532-I534 PolarHBondContact O-N 3.14Å; D532-I534 VanDerWaalsContact O-N 3.1Å; I534-F536 PolarHBondContact O-N 2.99Å; I534-L538 HydrophobicContact CG2-CD1 3.89Å; I534-L538 WeakPolarHBondContact O-CB 3.48Å; I534-L538 VanDerWaalsContact O-CG 3.31Å; I534-L538 WeakPolarHBondContact O-CG 3.32Å; I534-L538 PolarHBondContact O-N 2.96Å
535	S	95.4	Very high	93.2	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-46.6	-170.6	-53.1	0	0	0	0	113.6	Q526 C531 D532 G539 K547	Q526-S535 WeakPolarHBondContact CB-OG 3.37Å; Q526-S535 PolarHBondContact OE1-OG 3.29Å; C531-S535 PolarHBondContact O-N 2.62Å; C531-S535 VanDerWaalsContact O-N 3.17Å; C531-S535 PolarHBondContact O-OG 3.41Å; D532-S535 PolarHBondContact O-N 3.44Å; S535-G539 PolarHBondContact O-N 3.3Å; S535-K547 VanDerWaalsContact CB-CE 3.44Å; S535-K547 WeakPolarHBondContact OG-CE 3.33Å; S535-K547 PolarHBondContact OG-NZ 2.82Å
536	F	94.8	Very high	93.2	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-74.4	-41.4	-174	-77.2	-79.6	0	0	0	112.8	S64 Y133 F136 V138 D532 I534 L538 G539 Q540	S64-F536 VanDerWaalsContact OG-CD1 3.31Å; S64-F536 WeakPolarHBondContact OG-CD1 3.39Å; S64-F536 WeakPolarHBondContact OG-CE1 3.48Å; S64-F536 WeakPolarHBondContact OG-CZ 3.37Å; Y133-F536 HydrophobicContact CD1-CE1 4.21Å; Y133-F536 AromaticContact CD1-CZ 3.76Å; Y133-F536 HydrophobicContact CD1-CZ 3.76Å; Y133-F536 AromaticContact CE1-CZ 3.68Å; Y133-F536 HydrophobicContact CE1-CZ 3.68Å; Y133-F536 HydrophobicContact CG-CZ 4.31Å; F136-F536 HydrophobicContact CB-CD1 3.8Å; F136-F536 HydrophobicContact CB-CE1 3.95Å; V138-F536 HydrophobicContact CB-CE1 4.41Å; V138-F536 HydrophobicContact CG2-CD1 3.87Å; V138-F536 HydrophobicContact CG2-CE1 4.03Å; V138-F536 HydrophobicContact CG2-CG 4.36Å; D532-F536 HydrophobicContact CB-CD2 3.83Å; D532-F536 HydrophobicContact CB-CE2 4.15Å; D532-F536 PolarHBondContact O-N 3.47Å; I534-F536 PolarHBondContact O-N 2.99Å; F536-L538 VanDerWaalsContact C-N 3.31Å; F536-L538 PolarHBondContact O-N 3.34Å; F536-G539 PolarHBondContact O-N 2.96Å; F536-Q540 VanDerWaalsContact C-NE2 3.29Å; F536-Q540 VanDerWaalsContact O-CB 3.3Å; F536-Q540 WeakPolarHBondContact O-CB 3.37Å; F536-Q540 WeakPolarHBondContact O-CG 3.34Å; F536-Q540 PolarHBondContact O-N 3.5Å; F536-Q540 PolarHBondContact O-NE2 3.09Å
537	P	95.1	Very high	93.3	Very high	11 Å²	11	10.8 Å²	10.8	7%	0.071	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-40.2	172.6	-30.5	40.5	0	0	0	113	V53 F55 A61 D532 Q533 A541	V53-P537 HydrophobicContact CG1-CB 3.7Å; F55-P537 HydrophobicContact CD1-CB 4.33Å; A61-P537 HydrophobicContact CB-CG 4.18Å; D532-P537 WeakPolarHBondContact O-CD 3.44Å; Q533-P537 WeakPolarHBondContact O-CG 3.4Å; P537-A541 WeakPolarHBondContact O-CB 3.45Å; P537-A541 PolarHBondContact O-N 2.96Å
538	L	95.6	Very high	93.3	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.4	-50.7	173.7	-77.5	173	0	0	0	112.1	V53 F55 V503 L507 F524 I534 F536 Q540 A541 G542 Y543 V545	V53-L538 HydrophobicContact CG1-CD2 4.39Å; V53-L538 HydrophobicContact CG2-CD2 4.31Å; F55-L538 HydrophobicContact CE1-CD2 4.36Å; F55-L538 HydrophobicContact CE1-CG 3.96Å; F55-L538 HydrophobicContact CZ-CD2 4.11Å; F55-L538 HydrophobicContact CZ-CG 4.13Å; V503-L538 HydrophobicContact CG1-CD1 3.91Å; V503-L538 HydrophobicContact CG1-CD2 4.32Å; L507-L538 HydrophobicContact CD1-CD2 3.99Å; L507-L538 HydrophobicContact CD2-CD2 3.83Å; L507-L538 HydrophobicContact CG-CD2 4.4Å; F524-L538 HydrophobicContact CB-CD1 3.95Å; F524-L538 HydrophobicContact CD1-CD1 4.08Å; F524-L538 HydrophobicContact CD2-CD1 4.4Å; F524-L538 HydrophobicContact CG-CD1 3.87Å; I534-L538 HydrophobicContact CG2-CD1 3.89Å; I534-L538 WeakPolarHBondContact O-CB 3.48Å; I534-L538 VanDerWaalsContact O-CG 3.31Å; I534-L538 WeakPolarHBondContact O-CG 3.32Å; I534-L538 PolarHBondContact O-N 2.96Å; F536-L538 VanDerWaalsContact C-N 3.31Å; F536-L538 PolarHBondContact O-N 3.34Å; L538-Q540 VanDerWaalsContact C-N 3.33Å; L538-Q540 PolarHBondContact O-N 3.29Å; L538-A541 CarbonylContact O-C 3.53Å; L538-A541 PolarHBondContact O-N 3.15Å; L538-A541 VanDerWaalsContact O-N 3.11Å; L538-G542 PolarHBondContact O-N 3.49Å; L538-Y543 HydrophobicContact CD2-CD2 4.03Å; L538-Y543 HydrophobicContact CD2-CE2 4.49Å; L538-Y543 HydrophobicContact CD2-CG 4.07Å; L538-Y543 WeakPolarHBondContact O-CB 3.38Å; L538-Y543 PolarHBondContact O-N 3.24Å; L538-V545 HydrophobicContact CB-CG2 3.4Å; L538-V545 HydrophobicContact CD1-CG2 4.12Å; L538-V545 HydrophobicContact CG-CG2 4.4Å
539	G	94.6	Very high	93.3	Very high	5 Å²	5	10.9 Å²	10.9	5%	0.052	7%	0.07	C	C	.	.	H	α-helix	trans	-60.8	-42.1	-179.7	0	0	0	0	0	112.2	F136 G137 S535 F536 A541 G542	F136-G539 CarbonylContact O-C 3.51Å; G137-G539 WeakPolarHBondContact O-CA 3.44Å; S535-G539 PolarHBondContact O-N 3.3Å; F536-G539 PolarHBondContact O-N 2.96Å; G539-A541 VanDerWaalsContact C-N 3.27Å; G539-A541 PolarHBondContact O-N 2.72Å; G539-G542 PolarHBondContact O-N 2.75Å
540	Q	92.8	Very high	93.4	Very high	59 Å²	59	10.7 Å²	10.7	28%	0.276	7%	0.069	S	C	.	.	H	α-helix	trans	-66.2	-28.2	175.8	-71.9	170.6	91.8	0	0	112.8	E60 F536 L538 G542	E60-Q540 PolarHBondContact O-NE2 3.33Å; E60-Q540 PolarHBondContact OE2-OE1 3.01Å; F536-Q540 VanDerWaalsContact C-NE2 3.29Å; F536-Q540 VanDerWaalsContact O-CB 3.3Å; F536-Q540 WeakPolarHBondContact O-CB 3.37Å; F536-Q540 WeakPolarHBondContact O-CG 3.34Å; F536-Q540 PolarHBondContact O-N 3.5Å; F536-Q540 PolarHBondContact O-NE2 3.09Å; L538-Q540 VanDerWaalsContact C-N 3.33Å; L538-Q540 PolarHBondContact O-N 3.29Å; Q540-G542 PolarHBondContact O-N 3.46Å
541	A	92.9	Very high	93.6	Very high	20 Å²	20	10.7 Å²	10.7	17%	0.165	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	2.1	172.2	0	0	0	0	0	113.7	P51 V53 P537 L538 G539 Y543	P51-A541 HydrophobicContact CB-CB 4.19Å; V53-A541 HydrophobicContact CG2-CB 3.67Å; P537-A541 WeakPolarHBondContact O-CB 3.45Å; P537-A541 PolarHBondContact O-N 2.96Å; L538-A541 CarbonylContact O-C 3.53Å; L538-A541 PolarHBondContact O-N 3.15Å; L538-A541 VanDerWaalsContact O-N 3.11Å; G539-A541 VanDerWaalsContact C-N 3.27Å; G539-A541 PolarHBondContact O-N 2.72Å; A541-Y543 HydrophobicContact CB-CD2 3.9Å; A541-Y543 HydrophobicContact CB-CE2 4.06Å
542	G	93.1	Very high	93.7	Very high	47 Å²	47	10.3 Å²	10.3	49%	0.485	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	8.9	176.5	0	0	0	0	0	114.9	L538 G539 Q540	L538-G542 PolarHBondContact O-N 3.49Å; G539-G542 PolarHBondContact O-N 2.75Å; Q540-G542 PolarHBondContact O-N 3.46Å
543	Y	95.6	Very high	93.7	Very high	13 Å²	13	11.7 Å²	11.7	5%	0.051	8%	0.075	C	C	.	.			trans	-74.5	140.6	173.8	-69.4	-95.5	0	0	0	111.5	V50 V53 L507 M510 P517 F524 L538 A541 V545	V50-Y543 HydrophobicContact CG1-CE2 4.24Å; V50-Y543 WeakPolarHBondContact CG1-OH 3.25Å; V53-Y543 HydrophobicContact CG2-CD2 4.26Å; V53-Y543 HydrophobicContact CG2-CE2 3.73Å; L507-Y543 HydrophobicContact CD2-CD1 3.92Å; L507-Y543 HydrophobicContact CD2-CE1 3.29Å; L507-Y543 HydrophobicContact CD2-CE2 4.21Å; L507-Y543 VanDerWaalsContact CD2-CZ 3.46Å; M510-Y543 HydrophobicContact CE-CD1 4.13Å; M510-Y543 HydrophobicContact CE-CE1 3.82Å; M510-Y543 HydrophobicContact SD-CE1 4.19Å; P517-Y543 HydrophobicContact CB-CD1 3.96Å; P517-Y543 HydrophobicContact CB-CE1 4.27Å; P517-Y543 HydrophobicContact CB-CG 4.2Å; P517-Y543 HydrophobicContact CG-CD1 3.7Å; P517-Y543 HydrophobicContact CG-CD2 4.32Å; P517-Y543 HydrophobicContact CG-CE1 3.49Å; P517-Y543 VanDerWaalsContact CG-CE1 3.49Å; P517-Y543 HydrophobicContact CG-CE2 4.12Å; P517-Y543 HydrophobicContact CG-CG 4.14Å; F524-Y543 HydrophobicContact CD2-CD1 4.43Å; F524-Y543 AromaticContact CE2-CD1 3.71Å; F524-Y543 HydrophobicContact CE2-CD1 3.71Å; F524-Y543 HydrophobicContact CE2-CE1 4.42Å; F524-Y543 HydrophobicContact CE2-CG 4.39Å; F524-Y543 HydrophobicContact CZ-CD1 4.45Å; L538-Y543 HydrophobicContact CD2-CD2 4.03Å; L538-Y543 HydrophobicContact CD2-CE2 4.49Å; L538-Y543 HydrophobicContact CD2-CG 4.07Å; L538-Y543 WeakPolarHBondContact O-CB 3.38Å; L538-Y543 PolarHBondContact O-N 3.24Å; A541-Y543 HydrophobicContact CB-CD2 3.9Å; A541-Y543 HydrophobicContact CB-CE2 4.06Å; Y543-V545 WeakPolarHBondContact O-CG2 3.44Å; Y543-V545 PolarHBondContact O-N 2.98Å
544	P	95.5	Very high	93.5	Very high	10 Å²	10	11.5 Å²	11.5	7%	0.065	7%	0.074	C	C	.	.			trans	-65.9	102.2	172.4	-22.6	35.2	0	0	0	111.3	Y523 F524 Y546	Y523-P544 CarbonylContact C-O 3.3Å; Y523-P544 WeakPolarHBondContact CA-O 3.32Å; Y523-P544 HydrophobicContact CD1-CB 3.47Å; Y523-P544 VanDerWaalsContact CD1-CB 3.47Å; Y523-P544 HydrophobicContact CD1-CG 4.37Å; Y523-P544 HydrophobicContact CE1-CB 3.99Å; Y523-P544 HydrophobicContact CG-CB 4.47Å; F524-P544 PolarHBondContact N-O 3.45Å; P544-Y546 HydrophobicContact CB-CE2 4.36Å
545	V	96.8	Very high	93.1	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.9	-177.3	-178.5	0	0	0	0	111.5	V138 S139 F524 L538 Y543	V138-V545 HydrophobicContact CG1-CG1 4.32Å; V138-V545 HydrophobicContact CG2-CB 4.38Å; V138-V545 HydrophobicContact CG2-CG1 4.26Å; S139-V545 PolarHBondContact N-O 2.91Å; F524-V545 HydrophobicContact CB-CG2 4.16Å; F524-V545 CarbonylContact O-C 3.42Å; F524-V545 WeakPolarHBondContact O-CA 3.28Å; L538-V545 HydrophobicContact CB-CG2 3.4Å; L538-V545 HydrophobicContact CD1-CG2 4.12Å; L538-V545 HydrophobicContact CG-CG2 4.4Å; Y543-V545 WeakPolarHBondContact O-CG2 3.44Å; Y543-V545 PolarHBondContact O-N 2.98Å
546	Y	96.2	Very high	92.7	Very high	4 Å²	4	18.3 Å²	18.3	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.7	-179.4	-66	-100.7	0	0	0	111.2	S139 I141 D228 F230 R376 M494 Y523 F524 G525 Q526 P544	S139-Y546 VanDerWaalsContact CB-CD1 3.4Å; S139-Y546 CarbonylContact O-C 3.39Å; S139-Y546 WeakPolarHBondContact O-CA 3.42Å; I141-Y546 HydrophobicContact CG1-CD1 4.33Å; I141-Y546 HydrophobicContact CG1-CG 4.41Å; D228-Y546 WeakPolarHBondContact O-CE1 3.47Å; D228-Y546 PolarHBondContact O-OH 3.25Å; D228-Y546 PolarHBondContact OD2-OH 3.12Å; F230-Y546 AromaticContact CD2-CD1 3.65Å; F230-Y546 HydrophobicContact CD2-CD1 3.65Å; F230-Y546 AromaticContact CD2-CE1 3.37Å; F230-Y546 HydrophobicContact CD2-CE1 3.37Å; F230-Y546 HydrophobicContact CD2-CE2 4.31Å; F230-Y546 HydrophobicContact CD2-CG 4.22Å; F230-Y546 AromaticContact CD2-CZ 3.72Å; F230-Y546 HydrophobicContact CE2-CD1 4.24Å; F230-Y546 HydrophobicContact CE2-CD2 4.36Å; F230-Y546 AromaticContact CE2-CE1 3.77Å; F230-Y546 HydrophobicContact CE2-CE1 3.77Å; F230-Y546 AromaticContact CE2-CE2 3.94Å; F230-Y546 HydrophobicContact CE2-CE2 3.94Å; F230-Y546 AromaticContact CE2-CZ 3.59Å; R376-Y546 PolarHBondContact NH1-OH 3.05Å; M494-Y546 HydrophobicContact CE-CD2 3.88Å; M494-Y546 HydrophobicContact CE-CG 4.11Å; Y523-Y546 HydrophobicContact CD1-CD2 4.37Å; Y523-Y546 AromaticContact CD1-CE2 3.61Å; Y523-Y546 HydrophobicContact CD1-CE2 3.61Å; Y523-Y546 HydrophobicContact CE1-CE2 4.28Å; Y523-Y546 HydrophobicContact CG-CE2 4.32Å; F524-Y546 PolarHBondContact O-N 3.27Å; G525-Y546 WeakPolarHBondContact CA-O 3.39Å; Q526-Y546 PolarHBondContact N-O 3.37Å; P544-Y546 HydrophobicContact CB-CE2 4.36Å
547	K	94.9	Very high	92.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.5	165.5	-70.9	-69.2	-157.5	-178.7	0	109.6	Y133 V138 S139 A140 I141 Q526 L527 M530 D532 S535 V549	Y133-K547 HydrophobicContact CD2-CB 4.31Å; Y133-K547 HydrophobicContact CD2-CG 4.19Å; Y133-K547 HydrophobicContact CE2-CB 4.07Å; Y133-K547 HydrophobicContact CE2-CG 3.89Å; V138-K547 HydrophobicContact CG1-CB 4.45Å; V138-K547 HydrophobicContact CG1-CG 3.72Å; S139-K547 PolarHBondContact O-N 2.8Å; A140-K547 CarbonylContact C-O 3.47Å; A140-K547 VanDerWaalsContact CA-O 3.26Å; A140-K547 WeakPolarHBondContact CA-O 3.3Å; I141-K547 PolarHBondContact N-O 2.87Å; Q526-K547 HydrophobicContact CB-CD 4.08Å; Q526-K547 CarbonylContact O-C 3.35Å; Q526-K547 VanDerWaalsContact O-CA 3.28Å; Q526-K547 WeakPolarHBondContact O-CA 3.25Å; L527-K547 WeakPolarHBondContact O-CD 3.41Å; L527-K547 PolarHBondContact O-NZ 2.93Å; M530-K547 PolarHBondContact O-NZ 3.28Å; D532-K547 WeakPolarHBondContact OD1-CE 3.3Å; D532-K547 IonicContact OD1-NZ 3.4Å; D532-K547 PolarHBondContact OD1-NZ 3.28Å; S535-K547 VanDerWaalsContact CB-CE 3.44Å; S535-K547 WeakPolarHBondContact OG-CE 3.33Å; S535-K547 PolarHBondContact OG-NZ 2.82Å; K547-V549 HydrophobicContact CB-CG2 3.97Å; K547-V549 WeakPolarHBondContact O-CG2 3.37Å; K547-V549 PolarHBondContact O-N 3.49Å
548	Y	91.4	Very high	91.8	Very high	28 Å²	28	19 Å²	19	11%	0.11	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	110.5	166.5	-167.7	-83.1	0	0	0	108.6	I141 D143 A232 Q526 L527 L528 P550	I141-Y548 HydrophobicContact CB-CD2 4.17Å; I141-Y548 HydrophobicContact CG2-CD2 3.81Å; I141-Y548 HydrophobicContact CG2-CE2 4.16Å; I141-Y548 WeakPolarHBondContact O-CA 3.37Å; D143-Y548 HydrophobicContact CB-CD1 4.26Å; D143-Y548 HydrophobicContact CB-CE1 3.38Å; D143-Y548 HydrophobicContact CB-CE2 4.29Å; D143-Y548 VanDerWaalsContact CB-CZ 3.41Å; D143-Y548 VanDerWaalsContact CB-OH 3.3Å; D143-Y548 WeakPolarHBondContact CB-OH 3.28Å; D143-Y548 WeakPolarHBondContact OD2-CE1 3.47Å; D143-Y548 VanDerWaalsContact OD2-CZ 3.26Å; D143-Y548 PolarHBondContact OD2-OH 3.31Å; A232-Y548 HydrophobicContact CB-CE2 3.62Å; Q526-Y548 PolarHBondContact O-N 3.18Å; L527-Y548 HydrophobicContact CD2-CD1 3.94Å; L527-Y548 HydrophobicContact CD2-CG 3.92Å; L528-Y548 VanDerWaalsContact CB-O 3.24Å; L528-Y548 WeakPolarHBondContact CB-O 3.17Å; L528-Y548 PolarHBondContact N-O 3.06Å; Y548-P550 WeakPolarHBondContact O-CD 3.26Å
549	V	91.1	Very high	91.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	98.9	-166.5	171.4	0	0	0	0	109.4	A119 L130 A140 I141 L142 D143 L528 K547	A119-V549 HydrophobicContact CB-CG1 3.31Å; L130-V549 HydrophobicContact CD2-CG1 4.38Å; A140-V549 HydrophobicContact CB-CB 4.21Å; A140-V549 HydrophobicContact CB-CG2 3.81Å; I141-V549 PolarHBondContact O-N 3.07Å; L142-V549 HydrophobicContact CD2-CB 4.17Å; L142-V549 HydrophobicContact CD2-CG1 4.16Å; D143-V549 PolarHBondContact N-O 3.15Å; L528-V549 HydrophobicContact CB-CG2 4.41Å; L528-V549 HydrophobicContact CD2-CG1 4.2Å; L528-V549 HydrophobicContact CD2-CG2 4.42Å; K547-V549 HydrophobicContact CB-CG2 3.97Å; K547-V549 WeakPolarHBondContact O-CG2 3.37Å; K547-V549 PolarHBondContact O-N 3.49Å
550	P	90.1	Very high	90.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.6	169.5	35.5	-41.5	0	0	0	110.5	F117 V118 A119 D143 Y548 Y560	F117-P550 WeakPolarHBondContact O-CG 3.43Å; V118-P550 HydrophobicContact CG2-CG 4.23Å; A119-P550 PolarHBondContact N-O 3.46Å; D143-P550 CarbonylContact O-C 3.49Å; D143-P550 WeakPolarHBondContact O-CA 3.46Å; Y548-P550 WeakPolarHBondContact O-CD 3.26Å; P550-Y560 HydrophobicContact CB-CD1 4.36Å; P550-Y560 HydrophobicContact CB-CE1 3.78Å; P550-Y560 HydrophobicContact CB-CE2 4Å; P550-Y560 HydrophobicContact CG-CD1 4.45Å; P550-Y560 HydrophobicContact CG-CE1 3.5Å; P550-Y560 HydrophobicContact CG-CE2 4.32Å; P550-Y560 VanDerWaalsContact CG-CZ 3.44Å; P550-Y560 VanDerWaalsContact CG-OH 3.27Å; P550-Y560 WeakPolarHBondContact CG-OH 3.28Å
551	Y	91.6	Very high	90.3	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.8	170.3	76.5	-82.3	0	0	0	111.2	G120 Q123 I126 L142 D143 Y144 G145 C218	G120-Y551 CarbonylContact O-C 3.58Å; G120-Y551 WeakPolarHBondContact O-CA 3.37Å; G120-Y551 WeakPolarHBondContact O-CB 3.15Å; Q123-Y551 HydrophobicContact CG-CE2 4.12Å; I126-Y551 HydrophobicContact CD1-CD1 4.13Å; I126-Y551 HydrophobicContact CD1-CD2 4.44Å; I126-Y551 HydrophobicContact CD1-CE1 4.34Å; I126-Y551 HydrophobicContact CD1-CG 4.18Å; I126-Y551 VanDerWaalsContact CG2-CB 3.47Å; I126-Y551 HydrophobicContact CG2-CD2 4.36Å; I126-Y551 HydrophobicContact CG2-CG 3.98Å; L142-Y551 HydrophobicContact CB-CE1 4.43Å; D143-Y551 WeakPolarHBondContact O-CD1 3.36Å; D143-Y551 PolarHBondContact O-N 3.24Å; Y144-Y551 CarbonylContact C-O 3.37Å; Y144-Y551 AromaticContact CD2-CD2 3.89Å; Y144-Y551 HydrophobicContact CD2-CD2 3.89Å; Y144-Y551 HydrophobicContact CD2-CE1 4.19Å; Y144-Y551 AromaticContact CD2-CE2 3.44Å; Y144-Y551 HydrophobicContact CD2-CE2 3.44Å; Y144-Y551 VanDerWaalsContact CD2-CE2 3.44Å; Y144-Y551 HydrophobicContact CD2-CG 4.44Å; Y144-Y551 AromaticContact CD2-CZ 3.61Å; Y144-Y551 WeakPolarHBondContact CD2-O 3.38Å; Y144-Y551 HydrophobicContact CE2-CD2 4.24Å; Y144-Y551 AromaticContact CE2-CE2 3.87Å; Y144-Y551 HydrophobicContact CE2-CE2 3.87Å; G145-Y551 PolarHBondContact N-O 3.49Å; C218-Y551 PolarHBondContact SG-OH 3.32Å
552	G	91.9	Very high	89.8	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.105	C	C	.	.			trans	157.6	164.8	-179.1	0	0	0	0	0	112.7	Y114 G120 E121	Y114-G552 WeakPolarHBondContact CE2-O 3.48Å; Y114-G552 PolarHBondContact OH-O 3.38Å; G120-G552 PolarHBondContact O-N 3.46Å; E121-G552 WeakPolarHBondContact CA-O 3.07Å; E121-G552 CarbonylContact O-C 3.5Å; E121-G552 VanDerWaalsContact O-CA 3.3Å; E121-G552 WeakPolarHBondContact O-CA 3.48Å
553	P	91.3	Very high	89.1	Confident	36 Å²	36	17 Å²	17	23%	0.234	9%	0.087	C	C	.	.			trans	-57.3	141.3	179.1	-25.2	35.8	0	0	0	111.9	M555 E556 V557	P553-M555 PolarHBondContact O-N 2.95Å; P553-E556 HydrophobicContact CB-CB 4.31Å; P553-E556 HydrophobicContact CB-CG 4.27Å; P553-E556 PolarHBondContact O-N 2.96Å; P553-V557 PolarHBondContact O-N 2.91Å; P553-V557 VanDerWaalsContact O-N 3.17Å
554	V	88.9	Confident	88.3	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.012	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-42.7	-174.1	178.1	0	0	0	0	113	M109 K110 Y114 V557 L558	M109-V554 HydrophobicContact CB-CG1 3.81Å; M109-V554 HydrophobicContact CG-CG1 4.12Å; K110-V554 HydrophobicContact CG-CG2 4.24Å; Y114-V554 HydrophobicContact CD1-CG2 4.46Å; Y114-V554 HydrophobicContact CD2-CB 4.17Å; Y114-V554 HydrophobicContact CD2-CG1 4.23Å; Y114-V554 HydrophobicContact CD2-CG2 3.8Å; Y114-V554 HydrophobicContact CE1-CG2 4.36Å; Y114-V554 HydrophobicContact CE2-CB 4.17Å; Y114-V554 HydrophobicContact CE2-CG2 3.68Å; Y114-V554 HydrophobicContact CG-CG2 4.2Å; V554-V557 WeakPolarHBondContact O-CG2 3.41Å; V554-L558 WeakPolarHBondContact O-CG 3.13Å
555	M	86.3	Confident	87.6	Confident	57 Å²	57	16.6 Å²	16.6	28%	0.281	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-32	-176.7	-67.6	-51.2	-58.9	0	0	113.3	Q102 F105 P553 L558	Q102-M555 PolarHBondContact NE2-SD 2.81Å; F105-M555 HydrophobicContact CD1-SD 4.19Å; F105-M555 HydrophobicContact CE1-SD 3.85Å; P553-M555 PolarHBondContact O-N 2.95Å; M555-L558 HydrophobicContact CE-CD1 3.7Å; M555-L558 HydrophobicContact SD-CD1 4.13Å
556	E	85.4	Confident	86.8	Confident	89 Å²	89	19.4 Å²	19.4	42%	0.416	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-17	-175	-68.5	176.2	-138.8	0	0	112.2	V146 E147 P553	V146-E556 HydrophobicContact CB-CB 4.16Å; V146-E556 HydrophobicContact CG1-CB 3.89Å; V146-E556 HydrophobicContact CG1-CG 4.42Å; V146-E556 WeakPolarHBondContact CG1-OE2 3.28Å; V146-E556 HydrophobicContact CG2-CB 3.64Å; V146-E556 VanDerWaalsContact CG2-OE2 3.29Å; V146-E556 WeakPolarHBondContact CG2-OE2 3.49Å; E147-E556 PolarHBondContact N-O 2.99Å; E147-E556 VanDerWaalsContact N-O 3.11Å; P553-E556 HydrophobicContact CB-CB 4.31Å; P553-E556 HydrophobicContact CB-CG 4.27Å; P553-E556 PolarHBondContact O-N 2.96Å
557	V	87.2	Confident	85.8	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	5	177.9	-52.1	0	0	0	0	113.4	Y114 V118 G145 P553 V554 Y560 L561	Y114-V557 HydrophobicContact CD2-CG2 3.6Å; Y114-V557 HydrophobicContact CE2-CG2 3.53Å; V118-V557 HydrophobicContact CG2-CG2 4.14Å; G145-V557 WeakPolarHBondContact O-CG1 3.47Å; P553-V557 PolarHBondContact O-N 2.91Å; P553-V557 VanDerWaalsContact O-N 3.17Å; V554-V557 WeakPolarHBondContact O-CG2 3.41Å; V557-Y560 WeakPolarHBondContact O-CB 3.44Å; V557-Y560 PolarHBondContact O-N 3.22Å; V557-L561 HydrophobicContact CG2-CD1 4.24Å; V557-L561 HydrophobicContact CG2-CG 4.42Å; V557-L561 WeakPolarHBondContact O-CG 3.42Å; V557-L561 PolarHBondContact O-N 3.1Å
558	L	85.2	Confident	84.7	Confident	24 Å²	24	20.3 Å²	20.3	13%	0.126	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-44.2	178.5	-67.6	179.7	0	0	0	112.8	F105 M109 V554 M555 Y560 L561 S562	F105-L558 HydrophobicContact CE1-CD1 4.43Å; F105-L558 HydrophobicContact CE1-CD2 4.42Å; F105-L558 HydrophobicContact CZ-CD1 4.44Å; F105-L558 HydrophobicContact CZ-CD2 4.3Å; M109-L558 HydrophobicContact CE-CD2 3.93Å; V554-L558 WeakPolarHBondContact O-CG 3.13Å; M555-L558 HydrophobicContact CE-CD1 3.7Å; M555-L558 HydrophobicContact SD-CD1 4.13Å; L558-Y560 VanDerWaalsContact C-N 3.26Å; L558-Y560 PolarHBondContact O-N 3.18Å; L558-L561 HydrophobicContact CD2-CD1 4.39Å; L558-L561 PolarHBondContact O-N 2.96Å; L558-L561 VanDerWaalsContact O-N 3.14Å; L558-S562 PolarHBondContact O-N 3.07Å; L558-S562 PolarHBondContact O-OG 3.04Å
559	P	82.4	Confident	83.8	Confident	30 Å²	30	20.5 Å²	20.5	20%	0.195	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-39.4	177	-24.7	35.7	0	0	0	112.5	E147 R563	E147-P559 HydrophobicContact CB-CB 4.27Å; E147-P559 HydrophobicContact CB-CG 4.47Å; P559-R563 VanDerWaalsContact C-NH1 3.25Å; P559-R563 PolarHBondContact O-N 3.42Å; P559-R563 PolarHBondContact O-NH1 2.91Å
560	Y	83.1	Confident	82.3	Confident	5 Å²	5	24 Å²	24	2%	0.02	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-46.4	175.1	173	-89.2	0	0	0	111.8	F117 V118 P550 V557 L558 S562 R563 R564	F117-Y560 HydrophobicContact CB-CE1 4.41Å; V118-Y560 HydrophobicContact CG2-CD1 4.06Å; V118-Y560 HydrophobicContact CG2-CE1 4.11Å; P550-Y560 HydrophobicContact CB-CD1 4.36Å; P550-Y560 HydrophobicContact CB-CE1 3.78Å; P550-Y560 HydrophobicContact CB-CE2 4Å; P550-Y560 HydrophobicContact CG-CD1 4.45Å; P550-Y560 HydrophobicContact CG-CE1 3.5Å; P550-Y560 HydrophobicContact CG-CE2 4.32Å; P550-Y560 VanDerWaalsContact CG-CZ 3.44Å; P550-Y560 VanDerWaalsContact CG-OH 3.27Å; P550-Y560 WeakPolarHBondContact CG-OH 3.28Å; V557-Y560 WeakPolarHBondContact O-CB 3.44Å; V557-Y560 PolarHBondContact O-N 3.22Å; L558-Y560 VanDerWaalsContact C-N 3.26Å; L558-Y560 PolarHBondContact O-N 3.18Å; Y560-S562 PolarHBondContact O-N 3.12Å; Y560-R563 PolarHBondContact O-N 3.49Å; Y560-R564 HydrophobicContact CD1-CG 4.16Å; Y560-R564 HydrophobicContact CE1-CG 3.5Å; Y560-R564 VanDerWaalsContact CE1-CG 3.5Å; Y560-R564 HydrophobicContact CE2-CG 4.28Å; Y560-R564 PolarHBondContact O-N 3.42Å; Y560-R564 WeakPolarHBondContact OH-CD 3.42Å; Y560-R564 PolarHBondContact OH-NH1 2.92Å; Y560-R564 VanDerWaalsContact OH-NH1 3.08Å
561	L	84.3	Confident	80.9	Confident	6 Å²	6	27.6 Å²	27.6	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-41.5	-180	-71.7	177.6	0	0	0	112.6	M109 Y114 F117 V118 V557 L558 R563 R564 A565	M109-L561 HydrophobicContact CE-CD1 3.66Å; Y114-L561 HydrophobicContact CD2-CD1 4.22Å; F117-L561 HydrophobicContact CB-CD2 3.72Å; F117-L561 HydrophobicContact CD2-CD2 4.22Å; F117-L561 HydrophobicContact CG-CD2 4.46Å; V118-L561 HydrophobicContact CG2-CD2 3.69Å; V118-L561 HydrophobicContact CG2-CG 4.3Å; V557-L561 HydrophobicContact CG2-CD1 4.24Å; V557-L561 HydrophobicContact CG2-CG 4.42Å; V557-L561 WeakPolarHBondContact O-CG 3.42Å; V557-L561 PolarHBondContact O-N 3.1Å; L558-L561 HydrophobicContact CD2-CD1 4.39Å; L558-L561 PolarHBondContact O-N 2.96Å; L558-L561 VanDerWaalsContact O-N 3.14Å; L561-R563 VanDerWaalsContact C-N 3.31Å; L561-R563 PolarHBondContact O-N 3.49Å; L561-R564 PolarHBondContact O-N 3.37Å; L561-A565 WeakPolarHBondContact O-CB 3.17Å; L561-A565 PolarHBondContact O-N 3.21Å
562	S	82.6	Confident	79.1	Confident	22 Å²	22	32 Å²	32	15%	0.154	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-45	175.5	-65	0	0	0	0	111.2	H89 L558 Y560 A565 L566	H89-S562 PolarHBondContact CD2-OG 3.16Å; H89-S562 WeakPolarHBondContact NE2-CB 3.23Å; H89-S562 PolarHBondContact NE2-OG 3.28Å; L558-S562 PolarHBondContact O-N 3.07Å; L558-S562 PolarHBondContact O-OG 3.04Å; Y560-S562 PolarHBondContact O-N 3.12Å; S562-A565 PolarHBondContact O-N 3.21Å; S562-L566 WeakPolarHBondContact O-CG 3.32Å; S562-L566 PolarHBondContact O-N 3.27Å
563	R	78.9	Confident	77.6	Confident	26 Å²	26	41.4 Å²	41.4	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-46.4	176.2	-103.4	177.5	-79	130.2	-177.7	113.3	E147 I195 A197 P559 Y560 L561 A565 L566 E567	E147-R563 IonicContact OE1-CZ 3.57Å; E147-R563 IonicContact OE1-NH1 2.73Å; E147-R563 PolarHBondContact OE1-NH1 3.33Å; E147-R563 IonicContact OE1-NH2 2.69Å; E147-R563 PolarHBondContact OE1-NH2 3.27Å; E147-R563 IonicContact OE2-CZ 3.19Å; E147-R563 IonicContact OE2-NH1 3.65Å; E147-R563 PolarHBondContact OE2-NH1 3.38Å; E147-R563 IonicContact OE2-NH2 2.76Å; E147-R563 PolarHBondContact OE2-NH2 2.89Å; I195-R563 VanDerWaalsContact O-CB 3.23Å; I195-R563 WeakPolarHBondContact O-CB 3.49Å; I195-R563 WeakPolarHBondContact O-CG 3.36Å; A197-R563 PolarHBondContact O-NH2 3.46Å; P559-R563 VanDerWaalsContact C-NH1 3.25Å; P559-R563 PolarHBondContact O-N 3.42Å; P559-R563 PolarHBondContact O-NH1 2.91Å; Y560-R563 PolarHBondContact O-N 3.49Å; L561-R563 VanDerWaalsContact C-N 3.31Å; L561-R563 PolarHBondContact O-N 3.49Å; R563-A565 VanDerWaalsContact C-N 3.26Å; R563-A565 PolarHBondContact O-N 3.16Å; R563-L566 PolarHBondContact O-N 2.89Å; R563-L566 VanDerWaalsContact O-N 3.16Å; R563-E567 PolarHBondContact O-N 2.89Å
564	R	80.1	Confident	76.3	Confident	9 Å²	9	41.6 Å²	41.6	3%	0.034	23%	0.225	C	C	.	.	H	α-helix	trans	-58.9	-38.3	174.8	-74.3	-69	93.3	92.7	-11.7	112.1	F117 S196 Y560 L561 E567 N568	F117-R564 HydrophobicContact CB-CB 4.48Å; F117-R564 HydrophobicContact CB-CG 4.44Å; F117-R564 HydrophobicContact CD1-CB 4.11Å; F117-R564 HydrophobicContact CD1-CG 4.39Å; F117-R564 HydrophobicContact CD2-CB 4.03Å; F117-R564 HydrophobicContact CE1-CB 4.33Å; F117-R564 HydrophobicContact CE2-CB 4.23Å; F117-R564 HydrophobicContact CG-CB 3.96Å; F117-R564 HydrophobicContact CG-CG 4.34Å; F117-R564 HydrophobicContact CZ-CB 4.37Å; S196-R564 VanDerWaalsContact C-NH2 3.34Å; S196-R564 PolarHBondContact O-NH2 3.47Å; Y560-R564 HydrophobicContact CD1-CG 4.16Å; Y560-R564 HydrophobicContact CE1-CG 3.5Å; Y560-R564 VanDerWaalsContact CE1-CG 3.5Å; Y560-R564 HydrophobicContact CE2-CG 4.28Å; Y560-R564 PolarHBondContact O-N 3.42Å; Y560-R564 WeakPolarHBondContact OH-CD 3.42Å; Y560-R564 PolarHBondContact OH-NH1 2.92Å; Y560-R564 VanDerWaalsContact OH-NH1 3.08Å; L561-R564 PolarHBondContact O-N 3.37Å; R564-E567 IonicContact CZ-OE2 2.92Å; R564-E567 IonicContact NE-OE2 2.76Å; R564-E567 PolarHBondContact NE-OE2 2.66Å; R564-E567 IonicContact NH2-OE1 2.72Å; R564-E567 IonicContact NH2-OE2 3.6Å; R564-E567 PolarHBondContact NH2-OE2 2.99Å; R564-N568 PolarHBondContact O-N 3.01Å; R564-N568 VanDerWaalsContact O-N 3.11Å; R564-N568 PolarHBondContact O-ND2 3.2Å
565	A	80.8	Confident	75.5	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	23%	0.227	C	C	.	.	H	α-helix	trans	-66.6	-42.3	176.2	0	0	0	0	0	112.3	L86 F113 L561 S562 R563 S569	L86-A565 HydrophobicContact CD2-CB 3.83Å; F113-A565 HydrophobicContact CD1-CB 4.33Å; F113-A565 HydrophobicContact CE1-CB 4Å; L561-A565 WeakPolarHBondContact O-CB 3.17Å; L561-A565 PolarHBondContact O-N 3.21Å; S562-A565 PolarHBondContact O-N 3.21Å; R563-A565 VanDerWaalsContact C-N 3.26Å; R563-A565 PolarHBondContact O-N 3.16Å; A565-S569 PolarHBondContact O-N 3.46Å
566	L	78.4	Confident	75.2	Confident	60 Å²	60	44 Å²	44	31%	0.314	24%	0.236	S	C	.	.	H	α-helix	trans	-65.1	-41.1	175.7	-71	168.8	0	0	0	111.9	L86 I195 S562 R563 N568 S569 S570	L86-L566 HydrophobicContact CB-CD2 4.22Å; L86-L566 HydrophobicContact CD1-CD2 4.38Å; I195-L566 HydrophobicContact CG2-CB 3.69Å; S562-L566 WeakPolarHBondContact O-CG 3.32Å; S562-L566 PolarHBondContact O-N 3.27Å; R563-L566 PolarHBondContact O-N 2.89Å; R563-L566 VanDerWaalsContact O-N 3.16Å; L566-N568 PolarHBondContact O-N 3.26Å; L566-S569 WeakPolarHBondContact O-CB 3.36Å; L566-S569 PolarHBondContact O-N 3.36Å; L566-S569 VanDerWaalsContact O-N 3.16Å; L566-S569 PolarHBondContact O-OG 2.76Å; L566-S570 PolarHBondContact O-N 2.94Å
567	E	74.9	Confident	75.2	Confident	21 Å²	21	44 Å²	44	10%	0.098	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-47.2	177.1	-173.2	177.1	-171.6	0	0	111.3	I195 S196 R563 R564 S569 S570 L571	I195-E567 HydrophobicContact CG2-CB 3.84Å; I195-E567 VanDerWaalsContact CG2-N 3.29Å; S196-E567 WeakPolarHBondContact CB-OE1 3.39Å; R563-E567 PolarHBondContact O-N 2.89Å; R564-E567 IonicContact CZ-OE2 2.92Å; R564-E567 IonicContact NE-OE2 2.76Å; R564-E567 PolarHBondContact NE-OE2 2.66Å; R564-E567 IonicContact NH2-OE1 2.72Å; R564-E567 IonicContact NH2-OE2 3.6Å; R564-E567 PolarHBondContact NH2-OE2 2.99Å; E567-S569 PolarHBondContact O-N 3.08Å; E567-S570 PolarHBondContact O-N 2.88Å; E567-S570 VanDerWaalsContact O-N 3.1Å; E567-S570 PolarHBondContact O-OG 3.13Å; E567-L571 HydrophobicContact CG-CD1 3.87Å; E567-L571 HydrophobicContact CG-CG 4.48Å; E567-L571 WeakPolarHBondContact O-CG 3.43Å; E567-L571 PolarHBondContact O-N 3.3Å; E567-L571 VanDerWaalsContact O-N 3.14Å
568	N	73.5	Confident	75.3	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.011	23%	0.233	C	C	.	.	H	α-helix	trans	-63.8	-23.3	178.9	-83.3	-85.4	0	0	0	113.2	C80 F117 M530 R564 L566 T575	C80-N568 HydrophobicContact CB-CB 3.94Å; F117-N568 WeakPolarHBondContact CE1-ND2 3.26Å; F117-N568 WeakPolarHBondContact CZ-ND2 3.27Å; M530-N568 PolarHBondContact SD-ND2 3.05Å; R564-N568 PolarHBondContact O-N 3.01Å; R564-N568 VanDerWaalsContact O-N 3.11Å; R564-N568 PolarHBondContact O-ND2 3.2Å; L566-N568 PolarHBondContact O-N 3.26Å; N568-T575 PolarHBondContact O-OG1 2.88Å
569	S	71.4	Confident	75.5	Confident	33 Å²	33	46.1 Å²	46.1	23%	0.231	24%	0.238	C	C	.	.	H	α-helix	trans	-78.4	-32.9	174.7	80.8	0	0	0	0	113.4	C80 A565 L566 E567 M572	C80-S569 WeakPolarHBondContact O-CB 3.42Å; A565-S569 PolarHBondContact O-N 3.46Å; L566-S569 WeakPolarHBondContact O-CB 3.36Å; L566-S569 PolarHBondContact O-N 3.36Å; L566-S569 VanDerWaalsContact O-N 3.16Å; L566-S569 PolarHBondContact O-OG 2.76Å; E567-S569 PolarHBondContact O-N 3.08Å; S569-M572 VanDerWaalsContact O-CG 3.3Å; S569-M572 WeakPolarHBondContact O-CG 3.22Å
570	S	60.3	Low	76	Confident	74 Å²	74	49.7 Å²	49.7	52%	0.517	25%	0.253	S	S	.	.	H	α-helix	trans	-79.5	-26	177.7	58.4	0	0	0	0	113.2	L566 E567 M572	L566-S570 PolarHBondContact O-N 2.94Å; E567-S570 PolarHBondContact O-N 2.88Å; E567-S570 VanDerWaalsContact O-N 3.1Å; E567-S570 PolarHBondContact O-OG 3.13Å; S570-M572 PolarHBondContact O-N 3.13Å
571	L	60.1	Low	76.5	Confident	74 Å²	74	50 Å²	50	39%	0.387	25%	0.254	S	S	.	.			trans	-83	39.3	179.5	-66.9	173.5	0	0	0	114.6	M530 E567 K573 G574 T575	M530-L571 HydrophobicContact CE-CD1 3.6Å; E567-L571 HydrophobicContact CG-CD1 3.87Å; E567-L571 HydrophobicContact CG-CG 4.48Å; E567-L571 WeakPolarHBondContact O-CG 3.43Å; E567-L571 PolarHBondContact O-N 3.3Å; E567-L571 VanDerWaalsContact O-N 3.14Å; L571-K573 VanDerWaalsContact C-N 3.27Å; L571-K573 PolarHBondContact O-N 3.38Å; L571-G574 PolarHBondContact O-N 3.1Å; L571-G574 VanDerWaalsContact O-N 3.1Å; L571-T575 PolarHBondContact O-N 3.42Å; L571-T575 PolarHBondContact O-OG1 2.89Å; L571-T575 VanDerWaalsContact O-OG1 3.12Å
572	M	54.7	Low	77	Confident	97 Å²	97	49.8 Å²	49.8	48%	0.478	25%	0.253	S	S	.	.	H	α-helix	trans	-48	-37.3	-167.6	-75.2	-57.5	-50	0	0	116.1	S569 S570 H576	S569-M572 VanDerWaalsContact O-CG 3.3Å; S569-M572 WeakPolarHBondContact O-CG 3.22Å; S570-M572 PolarHBondContact O-N 3.13Å; M572-H576 WeakPolarHBondContact O-CB 3.33Å; M572-H576 PolarHBondContact O-N 3.17Å
573	K	60.4	Low	77.6	Confident	196 Å²	196	54 Å²	54	85%	0.852	27%	0.266	S	S	*	.	H	α-helix	trans	-71.5	-45.8	-179.3	-71.3	-175.3	-179.6	178.2	0	113.1	L571 H576	L571-K573 VanDerWaalsContact C-N 3.27Å; L571-K573 PolarHBondContact O-N 3.38Å; K573-H576 PolarHBondContact O-N 3.34Å
574	G	64	Low	78.4	Confident	40 Å²	40	57 Å²	57	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-68.5	-44.5	-179.6	0	0	0	0	0	111.9	L571 H576 R577 E578	L571-G574 PolarHBondContact O-N 3.1Å; L571-G574 VanDerWaalsContact O-N 3.1Å; G574-H576 VanDerWaalsContact C-N 3.27Å; G574-H576 PolarHBondContact O-N 3.31Å; G574-R577 PolarHBondContact O-N 3.5Å; G574-E578 PolarHBondContact O-N 2.97Å
575	T	71.8	Confident	79.2	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.055	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-34	178.1	-46.8	0	0	0	0	112	L77 N568 L571 R579	L77-T575 HydrophobicContact CB-CG2 4.37Å; L77-T575 HydrophobicContact CD2-CG2 4.12Å; N568-T575 PolarHBondContact O-OG1 2.88Å; L571-T575 PolarHBondContact O-N 3.42Å; L571-T575 PolarHBondContact O-OG1 2.89Å; L571-T575 VanDerWaalsContact O-OG1 3.12Å; T575-R579 HydrophobicContact CG2-CG 4.49Å; T575-R579 VanDerWaalsContact O-CG 3.25Å; T575-R579 WeakPolarHBondContact O-CG 3.37Å; T575-R579 PolarHBondContact O-N 3.35Å
576	H	80.4	Confident	79.8	Confident	101 Å²	101	57.3 Å²	57.3	47%	0.468	28%	0.284	S	S	.	.	H	α-helix	trans	-61.6	-46.1	177	-174.2	-84	0	0	0	112.3	M572 K573 G574 R579 Q580	M572-H576 WeakPolarHBondContact O-CB 3.33Å; M572-H576 PolarHBondContact O-N 3.17Å; K573-H576 PolarHBondContact O-N 3.34Å; G574-H576 VanDerWaalsContact C-N 3.27Å; G574-H576 PolarHBondContact O-N 3.31Å; H576-R579 PolarHBondContact O-N 3.38Å; H576-Q580 PolarHBondContact O-N 2.89Å
577	R	85.6	Confident	80.6	Confident	90 Å²	90	56.3 Å²	56.3	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-66.2	-42.8	179.8	-175	169.4	-179.5	178.5	-11.8	112	E500 G574 R579 Q580 L581	E500-R577 VanDerWaalsContact CD-NH2 3.27Å; E500-R577 IonicContact OE1-CZ 2.85Å; E500-R577 IonicContact OE1-NH1 2.6Å; E500-R577 PolarHBondContact OE1-NH1 3.4Å; E500-R577 IonicContact OE1-NH2 3.27Å; E500-R577 PolarHBondContact OE1-NH2 2.9Å; E500-R577 IonicContact OE2-CZ 2.75Å; E500-R577 IonicContact OE2-NE 3.35Å; E500-R577 PolarHBondContact OE2-NE 3Å; E500-R577 IonicContact OE2-NH1 3.17Å; E500-R577 PolarHBondContact OE2-NH1 3.32Å; E500-R577 IonicContact OE2-NH2 2.75Å; E500-R577 PolarHBondContact OE2-NH2 3.42Å; G574-R577 PolarHBondContact O-N 3.5Å; R577-R579 PolarHBondContact O-N 2.93Å; R577-Q580 WeakPolarHBondContact O-CB 3.35Å; R577-Q580 PolarHBondContact O-N 3.48Å; R577-L581 HydrophobicContact CG-CD1 4.35Å; R577-L581 PolarHBondContact O-N 3.36Å
578	E	89.1	Confident	81.6	Confident	5 Å²	5	58.4 Å²	58.4	2%	0.023	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-48.5	175.2	-179.2	156.7	-156.1	0	0	111.7	L77 C531 D532 Q533 G574 Q580 L581 L582	L77-E578 HydrophobicContact CD1-CG 3.98Å; C531-E578 VanDerWaalsContact N-CD 3.3Å; C531-E578 PolarHBondContact N-OE1 3.15Å; C531-E578 PolarHBondContact N-OE2 2.94Å; D532-E578 PolarHBondContact N-OE1 3.01Å; Q533-E578 PolarHBondContact OE1-OE1 3.46Å; G574-E578 PolarHBondContact O-N 2.97Å; E578-Q580 VanDerWaalsContact C-N 3.27Å; E578-Q580 PolarHBondContact O-N 3.32Å; E578-L581 PolarHBondContact O-N 2.96Å; E578-L582 HydrophobicContact CG-CD1 4.03Å; E578-L582 HydrophobicContact CG-CG 4.46Å; E578-L582 WeakPolarHBondContact O-CB 3.5Å; E578-L582 WeakPolarHBondContact O-CG 3.43Å; E578-L582 PolarHBondContact O-N 3.19Å
579	R	89.5	Confident	82.6	Confident	62 Å²	62	58.3 Å²	58.3	23%	0.234	29%	0.286	C	S	.	.	H	α-helix	trans	-59.2	-38.4	176	-70.7	179.2	-18.4	-177.5	6.4	112.6	L74 L77 T575 H576 R577 W583	L74-R579 HydrophobicContact CD2-CB 4.45Å; L74-R579 WeakPolarHBondContact CD2-O 3.45Å; L77-R579 HydrophobicContact CB-CG 3.92Å; L77-R579 HydrophobicContact CD1-CG 4.05Å; T575-R579 HydrophobicContact CG2-CG 4.49Å; T575-R579 VanDerWaalsContact O-CG 3.25Å; T575-R579 WeakPolarHBondContact O-CG 3.37Å; T575-R579 PolarHBondContact O-N 3.35Å; H576-R579 PolarHBondContact O-N 3.38Å; R577-R579 PolarHBondContact O-N 2.93Å; R579-W583 VanDerWaalsContact O-CB 3.28Å; R579-W583 WeakPolarHBondContact O-CB 3.47Å; R579-W583 PolarHBondContact O-N 3.18Å
580	Q	92.7	Very high	83.7	Confident	106 Å²	106	61 Å²	61	50%	0.495	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-47.7	178.3	-176.3	-179.3	5.6	0	0	111	H576 R577 E578 W583 L584	H576-Q580 PolarHBondContact O-N 2.89Å; R577-Q580 WeakPolarHBondContact O-CB 3.35Å; R577-Q580 PolarHBondContact O-N 3.48Å; E578-Q580 VanDerWaalsContact C-N 3.27Å; E578-Q580 PolarHBondContact O-N 3.32Å; Q580-W583 PolarHBondContact O-N 3.01Å; Q580-L584 HydrophobicContact CG-CD1 4.29Å; Q580-L584 VanDerWaalsContact O-CG 3.32Å; Q580-L584 WeakPolarHBondContact O-CG 3.33Å; Q580-L584 PolarHBondContact O-N 2.9Å
581	L	94.2	Very high	85.3	Confident	10 Å²	10	67.5 Å²	67.5	5%	0.052	31%	0.31	C	S	.	.	H	α-helix	trans	-67.2	-41.4	179.5	-65.7	170.1	0	0	0	111.8	F55 G56 A58 Y62 Q533 R577 E578 W583 L584 E585	F55-L581 WeakPolarHBondContact O-CD1 3.34Å; G56-L581 WeakPolarHBondContact O-CD2 3.21Å; A58-L581 HydrophobicContact CB-CB 4.24Å; A58-L581 HydrophobicContact CB-CD2 4.01Å; A58-L581 WeakPolarHBondContact CB-O 3.39Å; Y62-L581 HydrophobicContact CE2-CB 3.75Å; Q533-L581 HydrophobicContact CB-CD1 3.62Å; Q533-L581 HydrophobicContact CG-CD1 3.72Å; R577-L581 HydrophobicContact CG-CD1 4.35Å; R577-L581 PolarHBondContact O-N 3.36Å; E578-L581 PolarHBondContact O-N 2.96Å; L581-W583 VanDerWaalsContact C-N 3.28Å; L581-W583 PolarHBondContact O-N 3.23Å; L581-L584 HydrophobicContact CD2-CD1 4.38Å; L581-L584 PolarHBondContact O-N 3.08Å; L581-E585 PolarHBondContact O-N 2.94Å
582	L	94.3	Very high	86.9	Confident	2 Å²	2	67.5 Å²	67.5	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-56.4	-44	172.7	-78	169.9	0	0	0	111.6	Y62 L70 L74 L77 E578 L586	Y62-L582 HydrophobicContact CD1-CD2 3.79Å; Y62-L582 HydrophobicContact CD2-CD2 4.3Å; Y62-L582 HydrophobicContact CE1-CD2 3.34Å; Y62-L582 HydrophobicContact CE1-CG 3.97Å; Y62-L582 HydrophobicContact CE2-CB 4.47Å; Y62-L582 HydrophobicContact CE2-CD2 3.93Å; Y62-L582 HydrophobicContact CE2-CG 4.04Å; Y62-L582 HydrophobicContact CG-CD2 4.26Å; Y62-L582 VanDerWaalsContact CZ-CD2 3.46Å; L70-L582 HydrophobicContact CD2-CD2 3.67Å; L74-L582 HydrophobicContact CD1-CB 4.27Å; L74-L582 HydrophobicContact CD2-CB 3.63Å; L74-L582 HydrophobicContact CD2-CD1 4.29Å; L74-L582 HydrophobicContact CG-CB 3.78Å; L74-L582 HydrophobicContact CG-CD1 4.32Å; L77-L582 HydrophobicContact CD1-CD1 3.74Å; E578-L582 HydrophobicContact CG-CD1 4.03Å; E578-L582 HydrophobicContact CG-CG 4.46Å; E578-L582 WeakPolarHBondContact O-CB 3.5Å; E578-L582 WeakPolarHBondContact O-CG 3.43Å; E578-L582 PolarHBondContact O-N 3.19Å; L582-L586 WeakPolarHBondContact O-CB 3.37Å; L582-L586 PolarHBondContact O-N 3.3Å
583	W	94.7	Very high	88.5	Confident	112 Å²	112	65.5 Å²	65.5	42%	0.424	32%	0.318	S	S	.	.	H	α-helix	trans	-67	-42.3	179	-179.5	-115.2	0	0	0	112.2	L74 R579 Q580 L581 L586 L587	L74-W583 HydrophobicContact CD1-CE3 4.08Å; L74-W583 HydrophobicContact CD2-CB 4.33Å; R579-W583 VanDerWaalsContact O-CB 3.28Å; R579-W583 WeakPolarHBondContact O-CB 3.47Å; R579-W583 PolarHBondContact O-N 3.18Å; Q580-W583 PolarHBondContact O-N 3.01Å; L581-W583 VanDerWaalsContact C-N 3.28Å; L581-W583 PolarHBondContact O-N 3.23Å; W583-L586 HydrophobicContact CE3-CD2 4.2Å; W583-L586 HydrophobicContact CZ3-CD2 4.13Å; W583-L586 PolarHBondContact O-N 3.3Å; W583-L587 HydrophobicContact CD2-CD1 4.25Å; W583-L587 HydrophobicContact CD2-CG 4.14Å; W583-L587 HydrophobicContact CG-CD1 4.38Å; W583-L587 HydrophobicContact CH2-CD2 4.09Å; W583-L587 HydrophobicContact CH2-CG 4.45Å; W583-L587 HydrophobicContact CZ2-CD1 3.94Å; W583-L587 HydrophobicContact CZ2-CD2 3.74Å; W583-L587 HydrophobicContact CZ2-CG 3.9Å; W583-L587 WeakPolarHBondContact O-CB 3.42Å; W583-L587 WeakPolarHBondContact O-CG 3.26Å; W583-L587 PolarHBondContact O-N 3.21Å
584	L	95.8	Very high	89.7	Confident	87 Å²	87	59.8 Å²	59.8	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-60.1	-46.3	176	-73.7	171.9	0	0	0	111.5	A58 Q580 L581 L587 R588	A58-L584 HydrophobicContact CB-CB 4.13Å; Q580-L584 HydrophobicContact CG-CD1 4.29Å; Q580-L584 VanDerWaalsContact O-CG 3.32Å; Q580-L584 WeakPolarHBondContact O-CG 3.33Å; Q580-L584 PolarHBondContact O-N 2.9Å; L581-L584 HydrophobicContact CD2-CD1 4.38Å; L581-L584 PolarHBondContact O-N 3.08Å; L584-L587 PolarHBondContact O-N 3.17Å; L584-R588 WeakPolarHBondContact O-CB 3.25Å; L584-R588 PolarHBondContact O-N 3.33Å
585	E	96	Very high	90.6	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-41.9	177.5	176.1	61.9	-171.9	0	0	112	A58 Q59 Y62 L70 L581 L587 R588 R589	A58-E585 HydrophobicContact CB-CB 4.18Å; Q59-E585 WeakPolarHBondContact CA-OE2 3.42Å; Y62-E585 HydrophobicContact CD2-CB 4.01Å; Y62-E585 HydrophobicContact CD2-CG 4.43Å; L70-E585 HydrophobicContact CD1-CB 4.26Å; L70-E585 HydrophobicContact CD1-CG 3.58Å; L581-E585 PolarHBondContact O-N 2.94Å; E585-L587 PolarHBondContact O-N 3.13Å; E585-R588 WeakPolarHBondContact O-CB 3.44Å; E585-R588 PolarHBondContact O-N 3.18Å; E585-R588 IonicContact OE1-CZ 3.87Å; E585-R588 IonicContact OE1-NE 2.62Å; E585-R588 IonicContact OE1-NH2 3.74Å; E585-R588 PolarHBondContact OE1-NH2 3.25Å; E585-R588 IonicContact OE2-CZ 2.74Å; E585-R588 IonicContact OE2-NE 3.55Å; E585-R588 PolarHBondContact OE2-NE 3.21Å; E585-R588 IonicContact OE2-NH2 2.72Å; E585-R588 PolarHBondContact OE2-NH2 3.48Å; E585-R589 WeakPolarHBondContact O-CG 3.48Å; E585-R589 PolarHBondContact O-N 2.86Å; E585-R589 IonicContact OE1-CZ 3.49Å; E585-R589 IonicContact OE1-NE 3.55Å; E585-R589 PolarHBondContact OE1-NE 3.25Å; E585-R589 IonicContact OE1-NH2 2.75Å; E585-R589 PolarHBondContact OE1-NH2 3.12Å; E585-R589 VanDerWaalsContact OE1-NH2 3.13Å
586	L	94.7	Very high	91.2	Very high	20 Å²	20	70.4 Å²	70.4	11%	0.105	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-45.7	177	-179	61.2	0	0	0	111.3	T67 L74 L582 W583 R589 L590	T67-L586 HydrophobicContact CG2-CD1 3.67Å; L74-L586 HydrophobicContact CD1-CB 4.32Å; L74-L586 HydrophobicContact CD1-CD2 3.57Å; L582-L586 WeakPolarHBondContact O-CB 3.37Å; L582-L586 PolarHBondContact O-N 3.3Å; W583-L586 HydrophobicContact CE3-CD2 4.2Å; W583-L586 HydrophobicContact CZ3-CD2 4.13Å; W583-L586 PolarHBondContact O-N 3.3Å; L586-R589 PolarHBondContact O-N 3.29Å; L586-L590 HydrophobicContact CG-CD1 4.17Å; L586-L590 WeakPolarHBondContact O-CG 3.31Å; L586-L590 PolarHBondContact O-N 3.26Å
587	L	95.2	Very high	91.4	Very high	40 Å²	40	67.8 Å²	67.8	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-62.8	-40.5	175.4	-76.6	179.7	0	0	0	112.3	W583 L584 E585 R589 L590 R591	W583-L587 HydrophobicContact CD2-CD1 4.25Å; W583-L587 HydrophobicContact CD2-CG 4.14Å; W583-L587 HydrophobicContact CG-CD1 4.38Å; W583-L587 HydrophobicContact CH2-CD2 4.09Å; W583-L587 HydrophobicContact CH2-CG 4.45Å; W583-L587 HydrophobicContact CZ2-CD1 3.94Å; W583-L587 HydrophobicContact CZ2-CD2 3.74Å; W583-L587 HydrophobicContact CZ2-CG 3.9Å; W583-L587 WeakPolarHBondContact O-CB 3.42Å; W583-L587 WeakPolarHBondContact O-CG 3.26Å; W583-L587 PolarHBondContact O-N 3.21Å; L584-L587 PolarHBondContact O-N 3.17Å; E585-L587 PolarHBondContact O-N 3.13Å; L587-R589 PolarHBondContact O-N 3.11Å; L587-L590 HydrophobicContact CD2-CD1 4.46Å; L587-L590 PolarHBondContact O-N 2.97Å; L587-R591 WeakPolarHBondContact O-CB 3.45Å; L587-R591 VanDerWaalsContact O-CG 3.32Å; L587-R591 WeakPolarHBondContact O-CG 3.4Å; L587-R591 PolarHBondContact O-N 3.32Å
588	R	95.3	Very high	91.1	Very high	65 Å²	65	73.8 Å²	73.8	25%	0.245	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-46.3	175.8	-169.9	-162.2	67.1	79.5	2.6	110.8	L584 E585 L590 R591 T592	L584-R588 WeakPolarHBondContact O-CB 3.25Å; L584-R588 PolarHBondContact O-N 3.33Å; E585-R588 WeakPolarHBondContact O-CB 3.44Å; E585-R588 PolarHBondContact O-N 3.18Å; E585-R588 IonicContact OE1-CZ 3.87Å; E585-R588 IonicContact OE1-NE 2.62Å; E585-R588 IonicContact OE1-NH2 3.74Å; E585-R588 PolarHBondContact OE1-NH2 3.25Å; E585-R588 IonicContact OE2-CZ 2.74Å; E585-R588 IonicContact OE2-NE 3.55Å; E585-R588 PolarHBondContact OE2-NE 3.21Å; E585-R588 IonicContact OE2-NH2 2.72Å; E585-R588 PolarHBondContact OE2-NH2 3.48Å; R588-L590 VanDerWaalsContact C-N 3.35Å; R588-L590 PolarHBondContact O-N 3.44Å; R588-R591 PolarHBondContact O-N 3.5Å; R588-T592 HydrophobicContact CG-CG2 4.44Å; R588-T592 WeakPolarHBondContact O-CB 3.27Å; R588-T592 WeakPolarHBondContact O-CG2 3.38Å; R588-T592 PolarHBondContact O-N 3.23Å; R588-T592 PolarHBondContact O-OG1 3.43Å
589	R	95.3	Very high	90.6	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-63.7	-39.5	177.6	-69.1	-176.3	-168	-167	2.4	112.6	Y62 R65 R66 T67 E585 L586 L587 G593 N594 H597	Y62-R589 PolarHBondContact O-NH2 2.85Å; R65-R589 VanDerWaalsContact O-CZ 3.3Å; R65-R589 PolarHBondContact O-NH1 2.72Å; R65-R589 PolarHBondContact O-NH2 3.31Å; R66-R589 VanDerWaalsContact C-NH1 3.33Å; T67-R589 VanDerWaalsContact N-NH1 3.16Å; T67-R589 WeakPolarHBondContact OG1-CD 3.18Å; T67-R589 PolarHBondContact OG1-NH1 3.4Å; E585-R589 WeakPolarHBondContact O-CG 3.48Å; E585-R589 PolarHBondContact O-N 2.86Å; E585-R589 IonicContact OE1-CZ 3.49Å; E585-R589 IonicContact OE1-NE 3.55Å; E585-R589 PolarHBondContact OE1-NE 3.25Å; E585-R589 IonicContact OE1-NH2 2.75Å; E585-R589 PolarHBondContact OE1-NH2 3.12Å; E585-R589 VanDerWaalsContact OE1-NH2 3.13Å; L586-R589 PolarHBondContact O-N 3.29Å; L587-R589 PolarHBondContact O-N 3.11Å; R589-G593 PolarHBondContact O-N 3.43Å; R589-G593 VanDerWaalsContact O-N 3.15Å; R589-N594 PolarHBondContact O-N 3.42Å; R589-H597 PolarHBondContact NH1-CD2 2.89Å
590	L	93.3	Very high	89.1	Confident	89 Å²	89	78.9 Å²	78.9	47%	0.466	40%	0.399	S	S	.	.	H	α-helix	trans	-62.6	-48.5	174.7	-74.8	164.4	0	0	0	111.7	L586 L587 R588 T592 G593 L595	L586-L590 HydrophobicContact CG-CD1 4.17Å; L586-L590 WeakPolarHBondContact O-CG 3.31Å; L586-L590 PolarHBondContact O-N 3.26Å; L587-L590 HydrophobicContact CD2-CD1 4.46Å; L587-L590 PolarHBondContact O-N 2.97Å; R588-L590 VanDerWaalsContact C-N 3.35Å; R588-L590 PolarHBondContact O-N 3.44Å; L590-T592 VanDerWaalsContact C-N 3.34Å; L590-T592 PolarHBondContact O-N 2.91Å; L590-G593 PolarHBondContact O-N 2.98Å; L590-L595 HydrophobicContact CD2-CD2 3.41Å; L590-L595 VanDerWaalsContact CD2-CD2 3.41Å; L590-L595 HydrophobicContact CD2-CG 4.47Å; L590-L595 HydrophobicContact CG-CD2 4.15Å
591	R	94.3	Very high	88.9	Confident	210 Å²	210	77.6 Å²	77.6	79%	0.792	39%	0.394	S	S	*	.	H	α-helix	trans	-67.2	-32.7	-179.3	-72.3	176.4	-179.9	175.2	-0.2	113.5	L587 R588	L587-R591 WeakPolarHBondContact O-CB 3.45Å; L587-R591 VanDerWaalsContact O-CG 3.32Å; L587-R591 WeakPolarHBondContact O-CG 3.4Å; L587-R591 PolarHBondContact O-N 3.32Å; R588-R591 PolarHBondContact O-N 3.5Å
592	T	93	Very high	88.6	Confident	74 Å²	74	81.1 Å²	81.1	45%	0.454	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	0.3	-178.6	57.3	0	0	0	0	113.8	R588 L590 N594	R588-T592 HydrophobicContact CG-CG2 4.44Å; R588-T592 WeakPolarHBondContact O-CB 3.27Å; R588-T592 WeakPolarHBondContact O-CG2 3.38Å; R588-T592 PolarHBondContact O-N 3.23Å; R588-T592 PolarHBondContact O-OG1 3.43Å; L590-T592 VanDerWaalsContact C-N 3.34Å; L590-T592 PolarHBondContact O-N 2.91Å; T592-N594 PolarHBondContact O-N 3.03Å; T592-N594 PolarHBondContact OG1-ND2 2.7Å; T592-N594 VanDerWaalsContact OG1-ND2 3.15Å
593	G	88.2	Confident	88.3	Confident	55 Å²	55	85.5 Å²	85.5	57%	0.567	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	5.7	-177.6	0	0	0	0	0	115	R589 L590 L595	R589-G593 PolarHBondContact O-N 3.43Å; R589-G593 VanDerWaalsContact O-N 3.15Å; L590-G593 PolarHBondContact O-N 2.98Å; G593-L595 PolarHBondContact O-N 2.87Å
594	N	87.2	Confident	88	Confident	76 Å²	76	83.9 Å²	83.9	41%	0.406	44%	0.435	S	S	.	.			trans	-81.1	44	-178.6	-74.6	-47.9	0	0	0	113.4	R589 T592 F596 H597	R589-N594 PolarHBondContact O-N 3.42Å; T592-N594 PolarHBondContact O-N 3.03Å; T592-N594 PolarHBondContact OG1-ND2 2.7Å; T592-N594 VanDerWaalsContact OG1-ND2 3.15Å; N594-F596 VanDerWaalsContact C-N 3.3Å; N594-F596 PolarHBondContact O-N 3.19Å; N594-H597 PolarHBondContact O-N 2.9Å
595	L	81.8	Confident	87.5	Confident	81 Å²	81	83.8 Å²	83.8	42%	0.424	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.3	-176.7	-76.4	174.2	0	0	0	113	T67 L590 G593 H597	T67-L595 WeakPolarHBondContact CB-O 3.34Å; T67-L595 HydrophobicContact CG2-CD2 4.34Å; T67-L595 PolarHBondContact OG1-O 2.8Å; L590-L595 HydrophobicContact CD2-CD2 3.41Å; L590-L595 VanDerWaalsContact CD2-CD2 3.41Å; L590-L595 HydrophobicContact CD2-CG 4.47Å; L590-L595 HydrophobicContact CG-CD2 4.15Å; G593-L595 PolarHBondContact O-N 2.87Å; L595-H597 VanDerWaalsContact C-N 3.33Å; L595-H597 PolarHBondContact O-N 2.87Å
596	F	85.3	Confident	86.9	Confident	191 Å²	191	89.2 Å²	89.2	84%	0.838	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	29.1	179.9	-59	-75.2	0	0	0	113.3	N594 R598	N594-F596 VanDerWaalsContact C-N 3.3Å; N594-F596 PolarHBondContact O-N 3.19Å; F596-R598 PolarHBondContact O-N 3.01Å
597	H	83.6	Confident	86.3	Confident	47 Å²	47	94.1 Å²	94.1	22%	0.218	49%	0.488	C	S	.	.			trans	-45.9	117.8	177.6	-179.3	80.2	0	0	0	111.3	R63 R65 R589 N594 L595	R63-H597 PolarHBondContact O-NE2 3.19Å; R65-H597 PolarHBondContact O-CD2 3.38Å; R65-H597 VanDerWaalsContact O-CD2 3.26Å; R589-H597 PolarHBondContact NH1-CD2 2.89Å; N594-H597 PolarHBondContact O-N 2.9Å; L595-H597 VanDerWaalsContact C-N 3.33Å; L595-H597 PolarHBondContact O-N 2.87Å
598	R	80.4	Confident	85.7	Confident	215 Å²	215	98.3 Å²	98.3	81%	0.811	51%	0.509	S	S	*	.			trans	-106.1	118.1	170.5	-67.5	-172.3	-179	-172.1	0.7	106.6	F596 A600	F596-R598 PolarHBondContact O-N 3.01Å; R598-A600 PolarHBondContact O-N 2.99Å
599	P	78.8	Confident	84.9	Confident	29 Å²	29	101.1 Å²	101.1	19%	0.188	53%	0.531	C	S	.	.			trans	-55.1	124.4	171.1	-18.5	29.8	0	0	0	108	S64 R66 F136	S64-P599 WeakPolarHBondContact O-CG 3.47Å; R66-P599 HydrophobicContact CG-CG 4.35Å; F136-P599 HydrophobicContact CE2-CB 3.97Å; F136-P599 HydrophobicContact CZ-CB 3.63Å
600	A	57.3	Low	83.9	Confident	146 Å²	146	110.3 Å²	110.3	100%	1.207	58%	0.579	S	S	*	*			trans	-84.7	0	176.5	0	0	0	0	0	110.1	R598	R598-A600 PolarHBondContact O-N 2.99Å

Retrieved 600 of 600 residues in 177.6 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).