A0A087XG46_POEFO Loading...

Fanconi-associated nuclease

Nuclease required for the repair of DNA interstrand cross-links (ICL). Acts as a 5'-3' exonuclease that anchors at a cut end of DNA and cleaves DNA successively at every third nucleotide, allowing to excise an ICL from one strand through flanking incisions.

AlphaFold DB , UniProt , Accession A0A087XG46, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 944 aa.

						>A0A087XG46_POEFO|A0A087XG46
MTERTSKDKPRRSLSLKKKKGDAKAGTSSTTKTPITNFFSSQPPPNLACPLCGQLVPRFKINDHIDLQCQNFDRGDSTAASGGRNDYSGVQLSPGGNLSKSPETDQKEDTKTKTSPYFKKNNPQQTPRDINNKTVVRTIDLGSLSSKLSRKYHKKPAEVSNTSDPMSSAESTSSSQKENVQTLEDNNDCISAVTEAPSPVEKQSNQSMVSSKQSPSPAKQTKRKKKATFSVKGSLIRKKAKYEGSGGEASSCLDPEDTNTEGQGSDKPFNSELSEKSDADVKVETSDAQSLPYYLRNFRTVLHAVLENEDDRKLFNQEDMSAVHGFQSLSVMAQKLYVRLFQRKLKWLQVNKLDYGEICSDLGSVAQELAQIGFLQTEKDLEDLMEALDLLPAPELKALAKTFHLGSSGTQKQQLVDGLLRLSRQKSFFSPASSQSKVGTVILKRAKQLAGSCVRLSRGPRAVFSRILLLFSLTDTMDEEEMAAGGQNQLFTILLVNSGRLAFPDYAVQREAKVFRDREDLIRYEASMRALIEVTVAMQGGQWDQALQLYTSAKKTWIELSSNHDLSHQEELPVFLRSFTTGWAYTRILSRGVEILQRLRRYEDAVEELQALLKQSVYCPDSRGRWWDRLALNFHQHLKKPDQAICAMRDGLSDPLVRTGHKLSLHQRALRMKDSPSCKKYRLQLRELPAVQIQDVKHVTIRGQLFPHEGGMGKSRFLLPETEEGDGSAHSTVICSVEELSLAHYRQLGFDQGIHGEGSTFSTLFGLLMWDIIFMEGIPDVFRNPYQTCPLDLYTDCFYENRREAITSRVQLLCEASVETLSAMLEDVWTSQEGKVCSLVSWERFSSLQQAQSLIACLGGAFLGGVTDRMAKDYRHCRGGLPDLVVWNTSNNTYKLVEVKGPNDRLSQKQQIWLDELQKLGADVEVCHVTATGARGARLEEISK
					

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(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	28.6	Very low	28.8	Very low	237 Å²	237	168.2 Å²	168.2	100%	1.167	82%	0.823	S	S	*	*				0	117.6	0	-70.9	169.1	168.1	0	0	108.8
2	T	31.1	Very low	28.5	Very low	116 Å²	116	174.9 Å²	174.9	71%	0.712	83%	0.832	S	S	*	*			cis	-156.7	113.7	-17.8	-26.3	0	0	0	0	109.1
3	E	30.3	Very low	28.1	Very low	178 Å²	178	170.2 Å²	170.2	83%	0.832	83%	0.83	S	S	*	*			trans	31.7	162.5	139.7	-56.2	174.9	132.8	0	0	123.2
4	R	31.7	Very low	27.8	Very low	225 Å²	225	170.8 Å²	170.8	85%	0.849	84%	0.837	S	S	*	*			cis	168.8	129.8	-44	-114.8	-167	170.9	-176.3	-2.1	108.4
5	T	31.1	Very low	27.6	Very low	116 Å²	116	166.4 Å²	166.4	71%	0.712	83%	0.83	S	S	*	*			trans	57.5	108	148.1	54.9	0	0	0	0	122.6
6	S	29	Very low	27.5	Very low	106 Å²	106	166.9 Å²	166.9	74%	0.741	84%	0.835	S	S	*	*				28.2	140.1	125.6	63.1	0	0	0	0	123
7	K	26.5	Very low	27.5	Very low	214 Å²	214	169.1 Å²	169.1	93%	0.93	84%	0.839	S	S	*	*			trans	-164.7	177.4	132.6	-115.2	165.5	-172.4	174.7	0	116.9
8	D	26	Very low	27.6	Very low	121 Å²	121	171.6 Å²	171.6	65%	0.647	84%	0.843	S	S	*	*			trans	-85.1	166.5	-164.8	-117	-71.8	0	0	0	116.5
9	K	25.6	Very low	27.5	Very low	176 Å²	176	173.2 Å²	173.2	77%	0.765	85%	0.845	S	S	*	*			trans	27.7	150.1	136	-83.3	-177.9	-153.2	91.1	0	121.2
10	P	32.6	Very low	27.5	Very low	122 Å²	122	174.5 Å²	174.5	79%	0.792	85%	0.846	S	S	*	*				-155	172.6	62.5	42.6	-21.7	0	0	0	120.2
11	R	24.7	Very low	27.3	Very low	239 Å²	239	169.6 Å²	169.6	90%	0.902	84%	0.841	S	S	*	*			trans	-72.7	154.6	160.2	-65.8	172.6	170.4	167.6	-5.4	110.6
12	R	24.5	Very low	27.3	Very low	249 Å²	249	165.6 Å²	165.6	94%	0.94	83%	0.825	S	S	*	*			trans	-131.6	130.5	149.1	-98.7	-174.7	173.2	176.4	-1	110.6
13	S	23.5	Very low	27	Very low	114 Å²	114	164.8 Å²	164.8	80%	0.797	83%	0.829	S	S	*	*			trans	-102.5	145.6	168.9	47.7	0	0	0	0	109.4
14	L	24.5	Very low	26.8	Very low	178 Å²	178	166.6 Å²	166.6	93%	0.932	84%	0.835	S	S	*	*			trans	-129.9	125.7	165.5	-84.8	172.1	0	0	0	109.5
15	S	24	Very low	26.7	Very low	105 Å²	105	160.8 Å²	160.8	73%	0.734	83%	0.834	S	S	*	*			trans	-102	144.5	175.2	54.2	0	0	0	0	109.7
16	L	26.9	Very low	26.3	Very low	174 Å²	174	158.9 Å²	158.9	91%	0.911	84%	0.838	S	S	*	*			trans	-126	97.3	171.9	-80.5	172.6	0	0	0	110.1
17	K	27.5	Very low	26.2	Very low	205 Å²	205	160.7 Å²	160.7	89%	0.891	85%	0.845	S	S	*	*			trans	-68.2	132.7	159.6	-65.6	177.9	177.5	178.8	0	107.9
18	K	28.8	Very low	26.2	Very low	213 Å²	213	155.9 Å²	155.9	93%	0.926	84%	0.838	S	S	*	*			trans	-107	140.7	166.2	-131.7	173.6	-176.7	179.8	0	109.7
19	K	25.9	Very low	26.4	Very low	203 Å²	203	155.8 Å²	155.8	88%	0.883	85%	0.847	S	S	*	*			trans	-78	159.9	-170	-67.5	179.7	175.1	179.6	0	112.4
20	K	27.2	Very low	26.4	Very low	199 Å²	199	153 Å²	153	87%	0.865	85%	0.845	S	S	*	*			trans	-55.1	151.4	153.6	-90.1	-169.6	169.5	-166.4	0	110.6
21	G	23.9	Very low	26.6	Very low	71 Å²	71	154 Å²	154	73%	0.732	85%	0.849	S	S	*	*			trans	-165.6	120.4	163.3	0	0	0	0	0	109.2
22	D	27.1	Very low	26.7	Very low	154 Å²	154	151.5 Å²	151.5	82%	0.824	85%	0.845	S	S	*	*			trans	-90.7	124.7	-177.6	-64.6	-75.8	0	0	0	110.9
23	A	25.8	Very low	26.9	Very low	98 Å²	98	145.4 Å²	145.4	81%	0.81	84%	0.836	S	S	*	*			trans	-153.5	108.7	171.7	0	0	0	0	0	112.5
24	K	26.7	Very low	27.3	Very low	217 Å²	217	143.9 Å²	143.9	94%	0.943	82%	0.823	S	S	*	*			trans	20.1	143.7	157	-66.4	-177	176.1	-179.5	0	122
25	A	28.1	Very low	28	Very low	102 Å²	102	141.6 Å²	141.6	84%	0.843	81%	0.81	S	S	*	*			trans	-67.6	155.6	178.4	0	0	0	0	0	115.1
26	G	24.4	Very low	28.4	Very low	77 Å²	77	141 Å²	141	79%	0.794	80%	0.802	S	S	*	*			trans	-147	113.3	163.4	0	0	0	0	0	109.7
27	T	27.1	Very low	28.5	Very low	143 Å²	143	138.5 Å²	138.5	88%	0.877	79%	0.79	S	S	*	*			trans	-91.1	125.9	-170	-39.1	0	0	0	0	111.5
28	S	26	Very low	28.8	Very low	113 Å²	113	137.2 Å²	137.2	79%	0.79	78%	0.784	S	S	*	*			trans	-148.3	131.9	159.1	60.2	0	0	0	0	110.8
29	S	29.3	Very low	29.2	Very low	120 Å²	120	134 Å²	134	84%	0.839	77%	0.771	S	S	*	*			trans	-97	116	-175.8	49.1	0	0	0	0	111.3
30	T	27.2	Very low	29.3	Very low	116 Å²	116	127.1 Å²	127.1	71%	0.712	75%	0.748	S	S	*	*			trans	-129.5	127.6	162	39.5	0	0	0	0	110	K32	T30-K32 PolarHBondContact O-N 3.24Å
31	T	34.9	Very low	29.7	Very low	145 Å²	145	121.4 Å²	121.4	89%	0.89	73%	0.733	S	S	*	*			trans	-75.6	86.9	-173.1	38.2	0	0	0	0	111.8	T33	T31-T33 PolarHBondContact O-N 3.47Å
32	K	27.5	Very low	30.4	Very low	185 Å²	185	125.3 Å²	125.3	80%	0.804	73%	0.732	S	S	*	*			trans	-87	92.3	168.8	-67	-173.2	179.7	-177.4	0	110.7	T30 P34	T30-K32 PolarHBondContact O-N 3.24Å; K32-P34 WeakPolarHBondContact O-CD 3.45Å
33	T	28.8	Very low	31.3	Very low	122 Å²	122	119.5 Å²	119.5	75%	0.748	70%	0.703	S	S	*	*			trans	-66.6	120.6	156.3	39.3	0	0	0	0	108.2	T31 I35	T31-T33 PolarHBondContact O-N 3.47Å; T33-I35 PolarHBondContact O-N 2.67Å
34	P	31.4	Very low	33	Very low	81 Å²	81	118.1 Å²	118.1	53%	0.526	69%	0.686	S	S	.	*			trans	-73.4	132.1	179.6	30.4	-34.2	0	0	0	110	K32 T36 N37	K32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-T36 PolarHBondContact O-N 2.7Å; P34-N37 PolarHBondContact O-N 3.39Å
35	I	39.1	Very low	35.2	Very low	130 Å²	130	112.8 Å²	112.8	67%	0.667	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-63	-11.5	-179.6	-68.4	170.4	0	0	0	112.2	T33 N37 F38	T33-I35 PolarHBondContact O-N 2.67Å; I35-N37 PolarHBondContact O-N 3.12Å; I35-F38 HydrophobicContact CG2-CD2 4.37Å; I35-F38 WeakPolarHBondContact O-CB 3.34Å; I35-F38 PolarHBondContact O-N 2.62Å
36	T	32.4	Very low	37.8	Very low	93 Å²	93	111.2 Å²	111.2	57%	0.571	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-53.2	-24.1	173.1	53.7	0	0	0	0	114.3	P34 F38 F39	P34-T36 PolarHBondContact O-N 2.7Å; T36-F38 PolarHBondContact O-N 3.31Å; T36-F39 PolarHBondContact O-N 2.79Å; T36-F39 VanDerWaalsContact O-N 3.07Å
37	N	29.4	Very low	40.4	Very low	121 Å²	121	109 Å²	109	65%	0.647	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-59.7	-28.6	173.1	-83.2	1.6	0	0	0	113.5	P34 I35 F39	P34-N37 PolarHBondContact O-N 3.39Å; I35-N37 PolarHBondContact O-N 3.12Å; N37-F39 PolarHBondContact O-N 3.14Å
38	F	34.9	Very low	42.9	Very low	178 Å²	178	104.4 Å²	104.4	78%	0.781	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-67.7	-17	175.2	-86.6	-85.9	0	0	0	114	I35 T36	I35-F38 HydrophobicContact CG2-CD2 4.37Å; I35-F38 WeakPolarHBondContact O-CB 3.34Å; I35-F38 PolarHBondContact O-N 2.62Å; T36-F38 PolarHBondContact O-N 3.31Å
39	F	35.4	Very low	45.5	Very low	147 Å²	147	99.1 Å²	99.1	65%	0.645	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-112.3	7.2	-177.2	-65.1	-72.2	0	0	0	113.9	T36 N37 S41	T36-F39 PolarHBondContact O-N 2.79Å; T36-F39 VanDerWaalsContact O-N 3.07Å; N37-F39 PolarHBondContact O-N 3.14Å; F39-S41 PolarHBondContact O-N 2.84Å
40	S	28.8	Very low	47.6	Very low	57 Å²	57	94.3 Å²	94.3	40%	0.399	53%	0.526	S	S	.	.			trans	-72.7	110.9	164.1	88.3	0	0	0	0	108.7	Q42	S40-Q42 PolarHBondContact O-N 2.58Å
41	S	35.5	Very low	50.1	Low	79 Å²	79	88.9 Å²	88.9	55%	0.552	49%	0.492	S	S	*	.			trans	-77.2	49.4	170.4	51.4	0	0	0	0	111.4	F39 R150	F39-S41 PolarHBondContact O-N 2.84Å; S41-R150 PolarHBondContact OG-NH1 2.64Å
42	Q	38.3	Very low	52.4	Low	153 Å²	153	84 Å²	84	72%	0.715	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-70.6	136.6	163	-64.4	-169.9	19.4	0	0	108	S40	S40-Q42 PolarHBondContact O-N 2.58Å
43	P	47	Very low	54.8	Low	33 Å²	33	76.3 Å²	76.3	21%	0.214	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-54.2	141.4	169	-25.5	35.7	0	0	0	109.9	R58	P43-R58 VanDerWaalsContact CB-NH1 3.3Å; P43-R58 VanDerWaalsContact CG-NH1 3.32Å
44	P	60.9	Low	57.5	Low	68 Å²	68	75.9 Å²	75.9	44%	0.442	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-59	139.9	-176.8	26.4	-35.5	0	0	0	110.2	N46 L47	P44-N46 WeakPolarHBondContact CB-O 3.31Å; P44-N46 PolarHBondContact O-N 3.49Å; P44-L47 HydrophobicContact CG-CD2 4.02Å
45	P	74	Confident	60.1	Low	106 Å²	106	77.8 Å²	77.8	69%	0.688	43%	0.432	S	S	*	.	S	Bend	trans	-64.4	-29.2	-173.4	25.3	-34.3	0	0	0	112	P57 R58	P45-P57 WeakPolarHBondContact O-CA 3.48Å; P45-R58 PolarHBondContact O-N 3.46Å
46	N	80.9	Confident	62.2	Low	69 Å²	69	72 Å²	72	37%	0.369	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142	170.8	-57.9	-17.2	0	0	0	109.7	P44 L55 V56 P57	P44-N46 WeakPolarHBondContact CB-O 3.31Å; P44-N46 PolarHBondContact O-N 3.49Å; N46-L55 HydrophobicContact CB-CB 4.16Å; N46-V56 CarbonylContact C-O 3.58Å; N46-V56 WeakPolarHBondContact CA-O 3.46Å; N46-P57 WeakPolarHBondContact OD1-CA 3.43Å
47	L	79.1	Confident	64.6	Low	31 Å²	31	69.7 Å²	69.7	16%	0.162	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	147.4	169.9	-65	171	0	0	0	108.9	P44 C49 L55 V56 R58 I61 L148	P44-L47 HydrophobicContact CG-CD2 4.02Å; L47-C49 PolarHBondContact O-N 3.37Å; L47-L55 WeakPolarHBondContact O-CA 3.43Å; L47-V56 PolarHBondContact N-O 3.48Å; L47-V56 PolarHBondContact O-N 3.33Å; L47-R58 HydrophobicContact CD1-CB 4.01Å; L47-R58 HydrophobicContact CD1-CG 3.76Å; L47-R58 HydrophobicContact CG-CB 4.11Å; L47-R58 HydrophobicContact CG-CG 4.35Å; L47-I61 HydrophobicContact CB-CD1 4.13Å; L47-I61 HydrophobicContact CD1-CG1 4.48Å; L47-L148 HydrophobicContact CD1-CD2 3.83Å; L47-L148 HydrophobicContact CD2-CD2 4.08Å
48	A	80.6	Confident	66.7	Low	46 Å²	46	68.3 Å²	68.3	38%	0.38	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127	167	0	0	0	0	0	108.8	Q54 L55	A48-Q54 CarbonylContact C-O 3.55Å; A48-Q54 WeakPolarHBondContact CA-O 3.33Å; A48-L55 HydrophobicContact CB-CD2 4.19Å
49	C	80.7	Confident	68.6	Low	2 Å²	2	67.6 Å²	67.6	1%	0.014	37%	0.372	C	S	.	.			trans	-56.6	127.1	171.1	174.2	0	0	0	0	109	L47 L51 C52 G53 Q54 V56 I61 H64 C69	L47-C49 PolarHBondContact O-N 3.37Å; C49-L51 PolarHBondContact O-N 2.71Å; C49-L51 PolarHBondContact SG-N 3.37Å; C49-L51 VanDerWaalsContact SG-N 3.39Å; C49-C52 VanDerWaalsContact CB-SG 3.53Å; C49-C52 VanDerWaalsContact SG-SG 3.64Å; C49-G53 VanDerWaalsContact O-CA 3.23Å; C49-G53 WeakPolarHBondContact O-CA 3.31Å; C49-G53 PolarHBondContact O-N 3.32Å; C49-Q54 PolarHBondContact N-O 2.94Å; C49-V56 HydrophobicContact CB-CG2 4.42Å; C49-I61 HydrophobicContact CB-CD1 4.46Å; C49-H64 PolarHBondContact SG-CD2 3.07Å; C49-H64 PolarHBondContact SG-NE2 3.45Å; C49-C69 VanDerWaalsContact SG-SG 3.66Å
50	P	71.9	Confident	70.7	Confident	18 Å²	18	65.5 Å²	65.5	12%	0.117	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.1	-178.7	25.1	-32.6	0	0	0	112.8	I65 I139 F491 L495 R500	P50-I65 HydrophobicContact CG-CD1 3.96Å; P50-I139 HydrophobicContact CB-CD1 3.79Å; P50-F491 HydrophobicContact CB-CE2 4.31Å; P50-F491 HydrophobicContact CB-CZ 3.94Å; P50-F491 HydrophobicContact CG-CE2 3.78Å; P50-F491 HydrophobicContact CG-CZ 3.87Å; P50-L495 HydrophobicContact CB-CD2 3.89Å; P50-R500 WeakPolarHBondContact O-CD 3.33Å; P50-R500 PolarHBondContact O-NE 3.44Å; P50-R500 PolarHBondContact O-NH1 3.17Å
51	L	80.1	Confident	73.1	Confident	2 Å²	2	64 Å²	64	1%	0.01	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-29.6	-175.7	-59.3	-175.3	0	0	0	115.1	C49 I65 C69 N71 F72 L494 S498 R500	C49-L51 PolarHBondContact O-N 2.71Å; C49-L51 PolarHBondContact SG-N 3.37Å; C49-L51 VanDerWaalsContact SG-N 3.39Å; L51-I65 HydrophobicContact CD1-CG2 3.86Å; L51-C69 WeakPolarHBondContact CB-SG 3.28Å; L51-N71 PolarHBondContact O-ND2 2.89Å; L51-F72 HydrophobicContact CD1-CD2 4.21Å; L51-L494 HydrophobicContact CD1-CD1 4.01Å; L51-L494 HydrophobicContact CD1-CD2 4.31Å; L51-L494 HydrophobicContact CD2-CD1 4.08Å; L51-L494 HydrophobicContact CD2-CD2 4.31Å; L51-L494 HydrophobicContact CD2-CG 4.04Å; L51-L494 HydrophobicContact CG-CD2 4.45Å; L51-S498 VanDerWaalsContact CD2-OG 3.24Å; L51-S498 WeakPolarHBondContact CD2-OG 3.38Å; L51-R500 PolarHBondContact O-NE 2.88Å; L51-R500 PolarHBondContact O-NH2 3.49Å
52	C	82.9	Confident	75.1	Confident	42 Å²	42	62.7 Å²	62.7	28%	0.284	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-6.8	179.8	71.7	0	0	0	0	114.8	C49 Q54 H64	C49-C52 VanDerWaalsContact CB-SG 3.53Å; C49-C52 VanDerWaalsContact SG-SG 3.64Å; C52-Q54 PolarHBondContact O-N 3.47Å; C52-Q54 VanDerWaalsContact SG-CB 3.5Å; C52-H64 PolarHBondContact SG-NE2 3.11Å
53	G	79.8	Confident	77	Confident	25 Å²	25	58.2 Å²	58.2	26%	0.258	32%	0.318	S	S	.	.			trans	76.6	-7.5	-179.8	0	0	0	0	0	115.8	C49	C49-G53 VanDerWaalsContact O-CA 3.23Å; C49-G53 WeakPolarHBondContact O-CA 3.31Å; C49-G53 PolarHBondContact O-N 3.32Å
54	Q	84	Confident	78.6	Confident	113 Å²	113	56.8 Å²	56.8	53%	0.528	31%	0.308	S	S	.	.			trans	-60	137.2	178.5	-174.9	177.2	2.9	0	0	111.5	A48 C49 C52 V56 H64	A48-Q54 CarbonylContact C-O 3.55Å; A48-Q54 WeakPolarHBondContact CA-O 3.33Å; C49-Q54 PolarHBondContact N-O 2.94Å; C52-Q54 PolarHBondContact O-N 3.47Å; C52-Q54 VanDerWaalsContact SG-CB 3.5Å; Q54-V56 HydrophobicContact CG-CG2 4.38Å; Q54-V56 PolarHBondContact O-N 3.21Å; Q54-H64 PolarHBondContact OE1-CE1 2.72Å; Q54-H64 VanDerWaalsContact OE1-CE1 3.22Å
55	L	85.6	Confident	79.5	Confident	120 Å²	120	53.8 Å²	53.8	63%	0.628	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	111	174.3	-70.4	174.2	0	0	0	110.5	N46 L47 A48	N46-L55 HydrophobicContact CB-CB 4.16Å; L47-L55 WeakPolarHBondContact O-CA 3.43Å; A48-L55 HydrophobicContact CB-CD2 4.19Å
56	V	83.4	Confident	79.5	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.048	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.5	-177.9	179.6	0	0	0	0	109.1	N46 L47 C49 Q54 R58 K60 I61 H64	N46-V56 CarbonylContact C-O 3.58Å; N46-V56 WeakPolarHBondContact CA-O 3.46Å; L47-V56 PolarHBondContact N-O 3.48Å; L47-V56 PolarHBondContact O-N 3.33Å; C49-V56 HydrophobicContact CB-CG2 4.42Å; Q54-V56 HydrophobicContact CG-CG2 4.38Å; Q54-V56 PolarHBondContact O-N 3.21Å; V56-R58 PolarHBondContact O-N 2.85Å; V56-K60 HydrophobicContact CG1-CB 4.11Å; V56-I61 HydrophobicContact CB-CD1 3.98Å; V56-I61 HydrophobicContact CG1-CD1 4.43Å; V56-H64 HydrophobicContact CG1-CB 3.8Å; V56-H64 HydrophobicContact CG2-CB 4.04Å
57	P	82.8	Confident	79.1	Confident	46 Å²	46	52 Å²	52	30%	0.299	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	131.2	173.8	-26.6	35.2	0	0	0	111.4	P45 N46 F59 K60 I61	P45-P57 WeakPolarHBondContact O-CA 3.48Å; N46-P57 WeakPolarHBondContact OD1-CA 3.43Å; P57-F59 HydrophobicContact CB-CD1 4.03Å; P57-F59 HydrophobicContact CB-CE1 3.57Å; P57-F59 HydrophobicContact CB-CZ 3.96Å; P57-F59 PolarHBondContact O-N 3.25Å; P57-K60 PolarHBondContact O-N 3.39Å; P57-I61 PolarHBondContact O-N 3.48Å
58	R	73.6	Confident	78.5	Confident	91 Å²	91	56.5 Å²	56.5	34%	0.343	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-51.3	-34.1	-170	168.4	173.1	170.1	177.9	-0.4	113.7	P43 P45 L47 V56 K60 I61 L148	P43-R58 VanDerWaalsContact CB-NH1 3.3Å; P43-R58 VanDerWaalsContact CG-NH1 3.32Å; P45-R58 PolarHBondContact O-N 3.46Å; L47-R58 HydrophobicContact CD1-CB 4.01Å; L47-R58 HydrophobicContact CD1-CG 3.76Å; L47-R58 HydrophobicContact CG-CB 4.11Å; L47-R58 HydrophobicContact CG-CG 4.35Å; V56-R58 PolarHBondContact O-N 2.85Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.32Å; R58-I61 VanDerWaalsContact O-CG2 3.28Å; R58-I61 WeakPolarHBondContact O-CG2 3.41Å; R58-L148 VanDerWaalsContact CZ-O 3.31Å; R58-L148 PolarHBondContact NH1-O 2.87Å; R58-L148 PolarHBondContact NH2-O 3.11Å
59	F	75.6	Confident	78.3	Confident	163 Å²	163	54.6 Å²	54.6	72%	0.715	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-79.1	-8.7	-178.5	62.5	-87.8	0	0	0	114.4	P57	P57-F59 HydrophobicContact CB-CD1 4.03Å; P57-F59 HydrophobicContact CB-CE1 3.57Å; P57-F59 HydrophobicContact CB-CZ 3.96Å; P57-F59 PolarHBondContact O-N 3.25Å
60	K	79.6	Confident	77.4	Confident	104 Å²	104	62.8 Å²	62.8	45%	0.452	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-112.4	9.5	174.6	-60.8	-155	171.1	-155.3	0	113.8	V56 P57 R58 N62 D63 H64	V56-K60 HydrophobicContact CG1-CB 4.11Å; P57-K60 PolarHBondContact O-N 3.39Å; R58-K60 VanDerWaalsContact C-N 3.3Å; R58-K60 PolarHBondContact O-N 3.32Å; K60-N62 VanDerWaalsContact C-N 3.27Å; K60-N62 PolarHBondContact O-N 3.37Å; K60-D63 WeakPolarHBondContact CA-OD2 3.45Å; K60-D63 WeakPolarHBondContact CB-OD2 3.44Å; K60-D63 PolarHBondContact O-N 2.83Å; K60-H64 WeakPolarHBondContact O-CB 3.35Å; K60-H64 PolarHBondContact O-N 2.99Å
61	I	79.7	Confident	76.9	Confident	25 Å²	25	65.9 Å²	65.9	13%	0.128	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-36.6	-172.9	-166.4	63.6	0	0	0	111.7	L47 C49 V56 P57 R58 I65	L47-I61 HydrophobicContact CB-CD1 4.13Å; L47-I61 HydrophobicContact CD1-CG1 4.48Å; C49-I61 HydrophobicContact CB-CD1 4.46Å; V56-I61 HydrophobicContact CB-CD1 3.98Å; V56-I61 HydrophobicContact CG1-CD1 4.43Å; P57-I61 PolarHBondContact O-N 3.48Å; R58-I61 VanDerWaalsContact O-CG2 3.28Å; R58-I61 WeakPolarHBondContact O-CG2 3.41Å; I61-I65 HydrophobicContact CG1-CD1 4.41Å; I61-I65 WeakPolarHBondContact O-CD1 3.39Å; I61-I65 VanDerWaalsContact O-CG1 3.25Å; I61-I65 WeakPolarHBondContact O-CG1 3.42Å; I61-I65 PolarHBondContact O-N 2.86Å
62	N	77.5	Confident	75.8	Confident	52 Å²	52	68 Å²	68	28%	0.278	34%	0.339	S	S	.	.	H	α-helix	trans	-70.5	-53.7	175.5	-67.5	13.7	0	0	0	110.4	K60 H64 I65 D66	K60-N62 VanDerWaalsContact C-N 3.27Å; K60-N62 PolarHBondContact O-N 3.37Å; N62-H64 PolarHBondContact O-N 3.41Å; N62-H64 VanDerWaalsContact O-N 3.11Å; N62-I65 CarbonylContact O-C 3.55Å; N62-I65 WeakPolarHBondContact O-CA 3.35Å; N62-I65 WeakPolarHBondContact O-CB 3.35Å; N62-I65 PolarHBondContact O-N 3.49Å; N62-D66 WeakPolarHBondContact O-CB 3.38Å; N62-D66 PolarHBondContact O-N 3.11Å
63	D	76.6	Confident	74.3	Confident	59 Å²	59	71.4 Å²	71.4	32%	0.316	35%	0.354	S	S	.	.	H	α-helix	trans	-52.8	-37.8	179.2	-18.6	-20.7	0	0	0	111.7	K60 L67	K60-D63 WeakPolarHBondContact CA-OD2 3.45Å; K60-D63 WeakPolarHBondContact CB-OD2 3.44Å; K60-D63 PolarHBondContact O-N 2.83Å; D63-L67 WeakPolarHBondContact O-CB 3.4Å; D63-L67 PolarHBondContact O-N 3.32Å
64	H	81.4	Confident	72.5	Confident	2 Å²	2	80.8 Å²	80.8	1%	0.009	38%	0.382	C	S	.	.	H	α-helix	trans	-67.7	-46.2	174	172.1	83.7	0	0	0	112.7	C49 C52 Q54 V56 K60 N62 D66 Q68 C69	C49-H64 PolarHBondContact SG-CD2 3.07Å; C49-H64 PolarHBondContact SG-NE2 3.45Å; C52-H64 PolarHBondContact SG-NE2 3.11Å; Q54-H64 PolarHBondContact OE1-CE1 2.72Å; Q54-H64 VanDerWaalsContact OE1-CE1 3.22Å; V56-H64 HydrophobicContact CG1-CB 3.8Å; V56-H64 HydrophobicContact CG2-CB 4.04Å; K60-H64 WeakPolarHBondContact O-CB 3.35Å; K60-H64 PolarHBondContact O-N 2.99Å; N62-H64 PolarHBondContact O-N 3.41Å; N62-H64 VanDerWaalsContact O-N 3.11Å; H64-D66 VanDerWaalsContact C-N 3.29Å; H64-D66 PolarHBondContact O-N 2.7Å; H64-Q68 CarbonylContact O-C 3.1Å; H64-Q68 WeakPolarHBondContact O-CA 3.37Å; H64-Q68 PolarHBondContact O-N 3.28Å; H64-C69 WeakPolarHBondContact O-CB 3.43Å; H64-C69 PolarHBondContact O-N 3.21Å
65	I	79.1	Confident	70.4	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.031	38%	0.382	C	S	.	.	H	α-helix	trans	-60.6	-41	175.7	-70.3	164.7	0	0	0	110.7	P50 L51 I61 N62 Y293 L494	P50-I65 HydrophobicContact CG-CD1 3.96Å; L51-I65 HydrophobicContact CD1-CG2 3.86Å; I61-I65 HydrophobicContact CG1-CD1 4.41Å; I61-I65 WeakPolarHBondContact O-CD1 3.39Å; I61-I65 VanDerWaalsContact O-CG1 3.25Å; I61-I65 WeakPolarHBondContact O-CG1 3.42Å; I61-I65 PolarHBondContact O-N 2.86Å; N62-I65 CarbonylContact O-C 3.55Å; N62-I65 WeakPolarHBondContact O-CA 3.35Å; N62-I65 WeakPolarHBondContact O-CB 3.35Å; N62-I65 PolarHBondContact O-N 3.49Å; I65-Y293 HydrophobicContact CB-CE1 4.34Å; I65-Y293 HydrophobicContact CG2-CD1 3.47Å; I65-Y293 VanDerWaalsContact CG2-CD1 3.47Å; I65-Y293 HydrophobicContact CG2-CE1 3.51Å; I65-Y293 HydrophobicContact CG2-CG 4.27Å; I65-L494 HydrophobicContact CG2-CD2 4.04Å
66	D	75.7	Confident	68	Low	19 Å²	19	77.3 Å²	77.3	10%	0.102	38%	0.38	C	S	.	.	H	α-helix	trans	-79.5	-26.8	-173.5	-70.6	-54.8	0	0	0	114.4	N62 H64 Y293 Y294 R339	N62-D66 WeakPolarHBondContact O-CB 3.38Å; N62-D66 PolarHBondContact O-N 3.11Å; H64-D66 VanDerWaalsContact C-N 3.29Å; H64-D66 PolarHBondContact O-N 2.7Å; D66-Y293 WeakPolarHBondContact OD1-CD1 3.39Å; D66-Y293 VanDerWaalsContact OD1-CE1 3.27Å; D66-Y293 WeakPolarHBondContact OD1-CE1 3.3Å; D66-Y294 WeakPolarHBondContact OD1-CD1 3.4Å; D66-Y294 VanDerWaalsContact OD1-CE1 3.29Å; D66-Y294 WeakPolarHBondContact OD1-CE1 3.33Å; D66-R339 IonicContact OD2-CZ 2.73Å; D66-R339 IonicContact OD2-NH1 3.65Å; D66-R339 PolarHBondContact OD2-NH1 3.14Å; D66-R339 IonicContact OD2-NH2 2.8Å; D66-R339 PolarHBondContact OD2-NH2 2.77Å
67	L	72	Confident	65.5	Low	118 Å²	118	82.3 Å²	82.3	62%	0.618	42%	0.415	S	S	*	.	H	α-helix	trans	-135	-11.4	-172.3	-64.2	177.6	0	0	0	116.2	D63 E357	D63-L67 WeakPolarHBondContact O-CB 3.4Å; D63-L67 PolarHBondContact O-N 3.32Å; L67-E357 HydrophobicContact CD1-CB 3.79Å; L67-E357 HydrophobicContact CD2-CB 4.2Å; L67-E357 HydrophobicContact CG-CB 4.14Å
68	Q	66.3	Low	63.1	Low	126 Å²	126	86.9 Å²	86.9	59%	0.589	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.6	-2.9	-166.8	-52.2	-176.8	-11.2	0	0	114.2	H64 Q70	H64-Q68 CarbonylContact O-C 3.1Å; H64-Q68 WeakPolarHBondContact O-CA 3.37Å; H64-Q68 PolarHBondContact O-N 3.28Å; Q68-Q70 PolarHBondContact O-N 3.2Å
69	C	76.6	Confident	61.1	Low	5 Å²	5	87.5 Å²	87.5	3%	0.034	47%	0.467	C	S	.	.			trans	-89.8	95.1	-173.9	-158	0	0	0	0	111.3	C49 L51 H64 N71 F72	C49-C69 VanDerWaalsContact SG-SG 3.66Å; L51-C69 WeakPolarHBondContact CB-SG 3.28Å; H64-C69 WeakPolarHBondContact O-CB 3.43Å; H64-C69 PolarHBondContact O-N 3.21Å; C69-N71 PolarHBondContact O-N 2.91Å; C69-F72 WeakPolarHBondContact O-CB 3.46Å; C69-F72 PolarHBondContact O-N 2.92Å
70	Q	61.4	Low	59	Low	175 Å²	175	84 Å²	84	82%	0.818	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-7.4	-177.7	-62.7	178.4	-12.7	0	0	115.9	Q68	Q68-Q70 PolarHBondContact O-N 3.2Å
71	N	60.7	Low	56.6	Low	83 Å²	83	85.2 Å²	85.2	44%	0.444	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-4	175.3	-72.8	-6.6	0	0	0	113.8	L51 C69	L51-N71 PolarHBondContact O-ND2 2.89Å; C69-N71 PolarHBondContact O-N 2.91Å
72	F	56.9	Low	54	Low	45 Å²	45	88 Å²	88	20%	0.197	52%	0.524	C	S	.	.	S	Bend	trans	-76.4	-48.7	-177.2	-171	-111.1	0	0	0	112.2	L51 C69 R74 L494	L51-F72 HydrophobicContact CD1-CD2 4.21Å; C69-F72 WeakPolarHBondContact O-CB 3.46Å; C69-F72 PolarHBondContact O-N 2.92Å; F72-R74 PolarHBondContact O-N 2.9Å; F72-L494 HydrophobicContact CD2-CD1 4.46Å; F72-L494 HydrophobicContact CE2-CD1 4.1Å
73	D	51.3	Low	51.6	Low	114 Å²	114	89.2 Å²	89.2	61%	0.61	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	23.2	-170.8	-54.2	-64.6	0	0	0	115.4	S290	D73-S290 PolarHBondContact OD1-OG 3.41Å
74	R	42.9	Very low	49.3	Very low	223 Å²	223	97.9 Å²	97.9	84%	0.842	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	4.1	176.1	-77.1	-166.6	176.5	-129	-0.5	114.8	F72	F72-R74 PolarHBondContact O-N 2.9Å
75	G	40.4	Very low	46.7	Very low	50 Å²	50	104.2 Å²	104.2	52%	0.515	61%	0.611	S	S	.	*	S	Bend	trans	-80.5	-42.7	-173.8	0	0	0	0	0	116.2	S77	G75-S77 PolarHBondContact O-N 2.63Å
76	D	34.9	Very low	44.2	Very low	110 Å²	110	110.6 Å²	110.6	59%	0.588	65%	0.646	S	S	*	*	S	Bend	trans	-97.3	10.8	-155.2	-65.2	-44.4	0	0	0	116.3	R296	D76-R296 IonicContact OD1-CZ 2.7Å; D76-R296 IonicContact OD1-NH1 2.69Å; D76-R296 PolarHBondContact OD1-NH1 3.09Å; D76-R296 IonicContact OD1-NH2 2.79Å; D76-R296 PolarHBondContact OD1-NH2 3.35Å; D76-R296 IonicContact OD2-CZ 2.62Å; D76-R296 IonicContact OD2-NH1 3.55Å; D76-R296 PolarHBondContact OD2-NH1 3.33Å; D76-R296 IonicContact OD2-NH2 2.58Å; D76-R296 PolarHBondContact OD2-NH2 3.02Å
77	S	31.2	Very low	41.9	Very low	112 Å²	112	121.3 Å²	121.3	78%	0.783	69%	0.686	S	S	*	*	S	Bend	trans	-125.2	13.4	-167.3	-61.2	0	0	0	0	117.7	G75	G75-S77 PolarHBondContact O-N 2.63Å
78	T	32.1	Very low	39.7	Very low	143 Å²	143	121.7 Å²	121.7	88%	0.877	70%	0.699	S	S	*	*			trans	-155.2	92.2	160	45.3	0	0	0	0	111.4
79	A	31.9	Very low	37.7	Very low	104 Å²	104	118.8 Å²	118.8	86%	0.86	70%	0.703	S	S	*	*			trans	-145.9	32.9	176.7	0	0	0	0	0	113.9
80	A	31.6	Very low	35.3	Very low	89 Å²	89	125 Å²	125	74%	0.736	74%	0.74	S	S	*	*	S	Bend	trans	-152	139.2	171.8	0	0	0	0	0	111.9
81	S	28.4	Very low	33.5	Very low	130 Å²	130	124.4 Å²	124.4	91%	0.909	74%	0.737	S	S	*	*			trans	74.6	148.7	179.5	80.9	0	0	0	0	117.7
82	G	25.5	Very low	31.8	Very low	83 Å²	83	128 Å²	128	86%	0.856	76%	0.755	S	S	*	*			trans	86.6	110.5	-173.3	0	0	0	0	0	112.8
83	G	26.1	Very low	30.2	Very low	78 Å²	78	131 Å²	131	80%	0.804	78%	0.783	S	S	*	*			cis	112.1	124.2	7.4	0	0	0	0	0	111
84	R	27.9	Very low	29.5	Very low	240 Å²	240	131.6 Å²	131.6	91%	0.906	79%	0.792	S	S	*	*			trans	-65.5	137.9	178.4	-66.9	176.1	174.3	162.9	-3.5	110.9
85	N	28.2	Very low	28.6	Very low	135 Å²	135	124.8 Å²	124.8	72%	0.722	79%	0.792	S	S	*	*				-177.4	138.2	111.7	-96.3	16.2	0	0	0	114.1
86	D	26.3	Very low	27.9	Very low	140 Å²	140	125.9 Å²	125.9	75%	0.749	80%	0.803	S	S	*	*			trans	43.6	139.2	134.8	-51.8	-23	0	0	0	123.9
87	Y	26.8	Very low	27.5	Very low	245 Å²	245	128.2 Å²	128.2	96%	0.961	82%	0.816	S	S	*	*			trans	-86.2	119.1	176.4	-79.4	-101.6	0	0	0	113.6
88	S	26.4	Very low	27.3	Very low	125 Å²	125	130.7 Å²	130.7	87%	0.874	82%	0.819	S	S	*	*			trans	-168.3	157.4	145.3	55.4	0	0	0	0	108
89	G	23.6	Very low	26.9	Very low	65 Å²	65	128 Å²	128	67%	0.67	81%	0.806	S	S	*	*			cis	160.8	155.7	-1.5	0	0	0	0	0	108.9
90	V	26.4	Very low	26.5	Very low	135 Å²	135	131.9 Å²	131.9	82%	0.818	80%	0.804	S	S	*	*			trans	71.9	88.3	171.5	-166.6	0	0	0	0	117.7
91	Q	24.7	Very low	26.1	Very low	164 Å²	164	132.8 Å²	132.8	77%	0.766	81%	0.805	S	S	*	*				39.5	118.2	108.6	-156.6	-174	-0.5	0	0	119.9
92	L	24.3	Very low	26.7	Very low	157 Å²	157	131.1 Å²	131.1	82%	0.822	79%	0.79	S	S	*	*				164.5	146.5	119.7	-87.2	171.8	0	0	0	113.9
93	S	22.3	Very low	26.8	Very low	110 Å²	110	135.3 Å²	135.3	77%	0.769	79%	0.788	S	S	*	*			trans	-120.7	-179.5	169.9	-42.1	0	0	0	0	108.5
94	P	38.5	Very low	26.8	Very low	125 Å²	125	137.6 Å²	137.6	81%	0.812	79%	0.786	S	S	*	*			cis	-130	169.9	-7.3	40.6	-24.9	0	0	0	114.8
95	G	23.5	Very low	26.7	Very low	81 Å²	81	131.3 Å²	131.3	84%	0.835	77%	0.771	S	S	*	*			trans	-89.1	158.5	165	0	0	0	0	0	112.8
96	G	24.9	Very low	26.5	Very low	73 Å²	73	134.2 Å²	134.2	75%	0.753	78%	0.78	S	S	*	*			trans	-135.8	118.7	-172.7	0	0	0	0	0	116.7
97	N	26.5	Very low	26.5	Very low	158 Å²	158	134.9 Å²	134.9	85%	0.845	78%	0.776	S	S	*	*			trans	58.2	158.2	141.1	-72.8	-22.1	0	0	0	123.5
98	L	26.3	Very low	26.5	Very low	164 Å²	164	132.4 Å²	132.4	86%	0.859	77%	0.773	S	S	*	*			trans	83.3	143.1	164.8	-53.2	177.1	0	0	0	118
99	S	24.4	Very low	26.4	Very low	86 Å²	86	131.2 Å²	131.2	60%	0.601	76%	0.757	S	S	*	*			cis	-174.4	146.7	-26.3	54.3	0	0	0	0	112.9
100	K	24.3	Very low	26.6	Very low	187 Å²	187	133.5 Å²	133.5	81%	0.813	76%	0.758	S	S	*	*			trans	66.4	133.1	151.8	-69.8	170.2	-179.3	-179.4	0	117.7
101	S	23.5	Very low	26.6	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	75%	0.751	S	S	*	*			cis	87	151.4	44.5	-65.5	0	0	0	0	113.8
102	P	40.7	Very low	26.7	Very low	94 Å²	94	131.9 Å²	131.9	61%	0.61	75%	0.747	S	S	*	*			cis	-146	-169.1	-20.2	39.2	-18.4	0	0	0	116.2
103	E	28	Very low	26.8	Very low	172 Å²	172	133.2 Å²	133.2	80%	0.804	75%	0.747	S	S	*	*			trans	67	157.5	148	-75.7	146.3	-137.2	0	0	120.4
104	T	25.3	Very low	26.9	Very low	125 Å²	125	134.9 Å²	134.9	77%	0.767	75%	0.752	S	S	*	*			cis	-148.6	156.7	0.9	9.1	0	0	0	0	108
105	D	25.8	Very low	26.2	Very low	108 Å²	108	134.2 Å²	134.2	58%	0.578	75%	0.75	S	S	*	*			cis	103.1	82	10.6	-169.3	25.9	0	0	0	118.2	K107	D105-K107 IonicContact OD1-NZ 3.22Å; D105-K107 PolarHBondContact OD1-NZ 3.06Å; D105-K107 IonicContact OD2-NZ 2.79Å; D105-K107 PolarHBondContact OD2-NZ 3.13Å
106	Q	25.1	Very low	26.6	Very low	196 Å²	196	135.5 Å²	135.5	92%	0.916	74%	0.744	S	S	*	*			trans	-150.5	125.8	164.3	-93.7	170.8	51.1	0	0	108.5
107	K	26.3	Very low	26.5	Very low	154 Å²	154	140.9 Å²	140.9	67%	0.67	74%	0.743	S	S	*	*			cis	91.1	121.7	15.4	-67.7	-159.8	-178	70.9	0	118.6	D105	D105-K107 IonicContact OD1-NZ 3.22Å; D105-K107 PolarHBondContact OD1-NZ 3.06Å; D105-K107 IonicContact OD2-NZ 2.79Å; D105-K107 PolarHBondContact OD2-NZ 3.13Å
108	E	26.3	Very low	26.4	Very low	193 Å²	193	142.2 Å²	142.2	90%	0.902	74%	0.742	S	S	*	*				174.9	151.9	122.5	-93.3	-166.1	148.2	0	0	110.1
109	D	24.6	Very low	26.3	Very low	100 Å²	100	141.8 Å²	141.8	54%	0.535	73%	0.733	S	S	.	*			cis	-139.6	-113.1	-35.1	-176.3	4.5	0	0	0	110.4	K111	D109-K111 WeakPolarHBondContact OD2-CE 3.2Å; D109-K111 WeakPolarHBondContact OD2-CG 3.42Å; D109-K111 IonicContact OD2-NZ 3.52Å; D109-K111 PolarHBondContact OD2-NZ 2.92Å
110	T	26.5	Very low	26.3	Very low	114 Å²	114	147 Å²	147	70%	0.699	74%	0.744	S	S	*	*			cis	-147.6	60.1	-0.1	-41.4	0	0	0	0	114
111	K	26.2	Very low	26.1	Very low	152 Å²	152	145.8 Å²	145.8	66%	0.661	75%	0.747	S	S	*	*			trans	68	166.9	155.3	-46.3	175.9	-179.2	75.1	0	116.8	D109	D109-K111 WeakPolarHBondContact OD2-CE 3.2Å; D109-K111 WeakPolarHBondContact OD2-CG 3.42Å; D109-K111 IonicContact OD2-NZ 3.52Å; D109-K111 PolarHBondContact OD2-NZ 2.92Å
112	T	26.9	Very low	26	Very low	112 Å²	112	147.5 Å²	147.5	69%	0.687	75%	0.748	S	S	*	*			cis	-156.3	132.6	14.8	-26.9	0	0	0	0	114.3
113	K	26.3	Very low	25.5	Very low	186 Å²	186	147.6 Å²	147.6	81%	0.809	75%	0.749	S	S	*	*			trans	27.1	148.9	135.2	-48.2	178.5	-179.3	178.2	0	120.7
114	T	24.6	Very low	25.2	Very low	144 Å²	144	146.8 Å²	146.8	88%	0.883	75%	0.745	S	S	*	*				-152.9	179.7	57.3	48.9	0	0	0	0	115.9
115	S	24	Very low	25.1	Very low	111 Å²	111	148.6 Å²	148.6	78%	0.776	74%	0.744	S	S	*	*			trans	-153.7	153.5	-178.5	175	0	0	0	0	110.6
116	P	31.6	Very low	24.9	Very low	108 Å²	108	149.4 Å²	149.4	70%	0.701	75%	0.754	S	S	*	*				-156.9	141.6	124.4	35.1	-15.4	0	0	0	119.1
117	Y	23.1	Very low	25	Very low	187 Å²	187	145.9 Å²	145.9	73%	0.733	75%	0.748	S	S	*	*			trans	54	157.2	145.7	-72.6	-106.6	0	0	0	120.8
118	F	25.1	Very low	24.9	Very low	186 Å²	186	149.9 Å²	149.9	82%	0.816	76%	0.758	S	S	*	*			cis	-119.1	155	6.1	-91.4	-115.4	0	0	0	110.4
119	K	24	Very low	24.7	Very low	155 Å²	155	148.5 Å²	148.5	67%	0.674	76%	0.757	S	S	*	*			cis	99.7	97	39.9	-114.2	-173.9	-173.9	-178.3	0	115.5
120	K	23.7	Very low	24.8	Very low	194 Å²	194	150.8 Å²	150.8	84%	0.843	77%	0.768	S	S	*	*			trans	35.2	132.2	149.2	-70.9	-171.9	173.5	-172.8	0	121.9
121	N	21.3	Very low	24.8	Very low	163 Å²	163	151.6 Å²	151.6	87%	0.872	77%	0.768	S	S	*	*				-162.6	165	101.5	-100.2	-9.3	0	0	0	112.9
122	N	20.9	Very low	24.9	Very low	144 Å²	144	151.8 Å²	151.8	77%	0.77	78%	0.776	S	S	*	*			trans	-152.6	149.4	179.5	-174.8	31.5	0	0	0	108.2
123	P	29.4	Very low	24.9	Very low	96 Å²	96	154.3 Å²	154.3	62%	0.623	78%	0.778	S	S	*	*				-146.5	155.5	118.2	38.7	-24.6	0	0	0	115.8
124	Q	22.3	Very low	24.9	Very low	155 Å²	155	151.9 Å²	151.9	72%	0.724	78%	0.779	S	S	*	*			trans	42.8	137.2	138	-64.8	163.6	-45.3	0	0	120.5
125	Q	22.6	Very low	24.9	Very low	163 Å²	163	150.1 Å²	150.1	76%	0.762	77%	0.767	S	S	*	*			cis	-158.6	172.3	-0.8	-130.1	162.6	-21.5	0	0	111.9
126	T	22.5	Very low	25.4	Very low	125 Å²	125	150.2 Å²	150.2	77%	0.767	76%	0.763	S	S	*	*			trans	-50.7	166.9	178.1	43.4	0	0	0	0	117.4
127	P	28	Very low	25.7	Very low	122 Å²	122	152.1 Å²	152.1	79%	0.792	76%	0.756	S	S	*	*			cis	-126.5	178.9	12.2	40.3	-25	0	0	0	116.3
128	R	23.3	Very low	26.5	Very low	237 Å²	237	146.2 Å²	146.2	89%	0.894	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-96.9	139	162.2	-69	173.5	172.7	158.6	-4.8	109
129	D	23.1	Very low	27.3	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-83.8	147.9	155.5	-94.9	-50.6	0	0	0	111.4
130	I	26.7	Very low	27.9	Very low	148 Å²	148	135.9 Å²	135.9	76%	0.759	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-97.9	126.8	-179.9	-63.5	169.9	0	0	0	108.2
131	N	25.1	Very low	28.7	Very low	132 Å²	132	129.6 Å²	129.6	71%	0.706	68%	0.675	S	S	*	*			trans	-132.3	82.2	175.3	-138.7	-35.9	0	0	0	111	K133	N131-K133 PolarHBondContact O-N 3.29Å
132	N	28.3	Very low	29.4	Very low	156 Å²	156	124 Å²	124	83%	0.834	66%	0.656	S	S	*	*			trans	-72	77	168.7	-86.3	-6.8	0	0	0	109.7
133	K	27.1	Very low	30.1	Very low	165 Å²	165	118.6 Å²	118.6	72%	0.717	63%	0.63	S	S	*	*			trans	-91.4	110.4	162.7	-77.7	-166.2	173.8	-168.1	0	109.8	N131 V135	N131-K133 PolarHBondContact O-N 3.29Å; K133-V135 PolarHBondContact O-N 3.47Å
134	T	26.3	Very low	30.2	Very low	135 Å²	135	117 Å²	117	83%	0.828	62%	0.616	S	S	*	*			trans	-64.7	97.2	164.7	-54.2	0	0	0	0	108	V136	T134-V136 VanDerWaalsContact C-N 3.34Å; T134-V136 PolarHBondContact O-N 3.19Å
135	V	25.4	Very low	30.7	Very low	106 Å²	106	112 Å²	112	64%	0.642	60%	0.597	S	S	*	*			trans	-71.5	89.7	-177.9	-173.7	0	0	0	0	109.7	K133 R137	K133-V135 PolarHBondContact O-N 3.47Å; V135-R137 HydrophobicContact CG1-CG 3.96Å; V135-R137 PolarHBondContact O-N 2.83Å
136	V	33.4	Very low	31.4	Very low	113 Å²	113	107.7 Å²	107.7	69%	0.685	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-61.4	117	159.3	-178.7	0	0	0	0	106.6	T134	T134-V136 VanDerWaalsContact C-N 3.34Å; T134-V136 PolarHBondContact O-N 3.19Å
137	R	37.9	Very low	32	Very low	149 Å²	149	107.8 Å²	107.8	56%	0.562	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-99.4	116	173.7	-71.5	-175.3	179.5	157	1.4	108	V135 I139	V135-R137 HydrophobicContact CG1-CG 3.96Å; V135-R137 PolarHBondContact O-N 2.83Å; R137-I139 PolarHBondContact O-N 3.27Å
138	T	40.8	Very low	32.2	Very low	62 Å²	62	104.6 Å²	104.6	38%	0.38	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-58.6	132	171.6	-40.9	0	0	0	0	109.3
139	I	41.6	Very low	33	Very low	30 Å²	30	96.1 Å²	96.1	15%	0.154	53%	0.528	C	S	.	.			trans	-108.2	98.6	175.4	-60.3	179.5	0	0	0	108.2	P50 R137 L141 L144 L495	P50-I139 HydrophobicContact CB-CD1 3.79Å; R137-I139 PolarHBondContact O-N 3.27Å; I139-L141 PolarHBondContact O-N 2.92Å; I139-L141 VanDerWaalsContact O-N 3.14Å; I139-L144 HydrophobicContact CG2-CD1 3.56Å; I139-L495 HydrophobicContact CB-CD1 4.19Å; I139-L495 HydrophobicContact CD1-CD1 4.06Å; I139-L495 HydrophobicContact CD1-CD2 4Å; I139-L495 HydrophobicContact CG2-CD1 4.05Å
140	D	36.7	Very low	33.3	Very low	95 Å²	95	96.5 Å²	96.5	51%	0.508	52%	0.517	S	S	.	.			trans	-61.5	111.4	165.5	163.8	29.3	0	0	0	109.6	G142 S143	D140-G142 PolarHBondContact O-N 2.93Å; D140-G142 WeakPolarHBondContact OD1-CA 3.43Å; D140-G142 PolarHBondContact OD1-N 2.99Å; D140-S143 WeakPolarHBondContact O-CB 3.37Å; D140-S143 PolarHBondContact O-N 2.9Å; D140-S143 VanDerWaalsContact O-N 3.11Å; D140-S143 PolarHBondContact OD1-N 2.88Å; D140-S143 WeakPolarHBondContact OD2-CA 3.48Å; D140-S143 WeakPolarHBondContact OD2-CB 3.39Å; D140-S143 PolarHBondContact OD2-N 3.49Å; D140-S143 PolarHBondContact OD2-OG 3.27Å
141	L	39.8	Very low	33.4	Very low	62 Å²	62	99.3 Å²	99.3	33%	0.325	52%	0.524	S	S	.	.	H	α-helix	trans	-61.3	-32	179.2	-64.9	171.8	0	0	0	112	I139 S143 L495 L501	I139-L141 PolarHBondContact O-N 2.92Å; I139-L141 VanDerWaalsContact O-N 3.14Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.47Å; L141-L495 HydrophobicContact CD2-CD1 4.17Å; L141-L501 HydrophobicContact CD1-CD2 4.35Å
142	G	36.6	Very low	33.7	Very low	45 Å²	45	103.8 Å²	103.8	46%	0.464	53%	0.533	S	S	.	.	H	α-helix	trans	-73.6	-20.1	176.4	0	0	0	0	0	114.1	D140 S146	D140-G142 PolarHBondContact O-N 2.93Å; D140-G142 WeakPolarHBondContact OD1-CA 3.43Å; D140-G142 PolarHBondContact OD1-N 2.99Å; G142-S146 PolarHBondContact O-OG 3.31Å; G142-S146 VanDerWaalsContact O-OG 3.08Å
143	S	36	Very low	33.7	Very low	31 Å²	31	104.9 Å²	104.9	22%	0.217	53%	0.532	C	S	.	.	H	α-helix	trans	-74.9	-32.9	179.6	-99.9	0	0	0	0	113.7	D140 L141 S146 K147	D140-S143 WeakPolarHBondContact O-CB 3.37Å; D140-S143 PolarHBondContact O-N 2.9Å; D140-S143 VanDerWaalsContact O-N 3.11Å; D140-S143 PolarHBondContact OD1-N 2.88Å; D140-S143 WeakPolarHBondContact OD2-CA 3.48Å; D140-S143 WeakPolarHBondContact OD2-CB 3.39Å; D140-S143 PolarHBondContact OD2-N 3.49Å; D140-S143 PolarHBondContact OD2-OG 3.27Å; L141-S143 VanDerWaalsContact C-N 3.31Å; L141-S143 PolarHBondContact O-N 3.47Å; S143-S146 PolarHBondContact O-OG 3.4Å; S143-K147 VanDerWaalsContact CB-NZ 3.34Å; S143-K147 WeakPolarHBondContact O-CB 3.48Å; S143-K147 WeakPolarHBondContact O-CD 3.42Å; S143-K147 WeakPolarHBondContact O-CG 3.44Å; S143-K147 PolarHBondContact O-N 2.72Å; S143-K147 PolarHBondContact OG-NZ 3.36Å
144	L	30.3	Very low	33.7	Very low	63 Å²	63	105.9 Å²	105.9	33%	0.33	54%	0.537	S	S	.	.	H	α-helix	trans	-80.9	-43.4	-168.3	-78.7	170.7	0	0	0	113.1	I139 K147 L148 F491	I139-L144 HydrophobicContact CG2-CD1 3.56Å; L144-K147 PolarHBondContact O-N 2.95Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.47Å; L144-L148 PolarHBondContact O-N 3.09Å; L144-F491 HydrophobicContact CD1-CE1 3.86Å; L144-F491 HydrophobicContact CD1-CZ 4.18Å
145	S	34.2	Very low	33.8	Very low	49 Å²	49	106.6 Å²	106.6	34%	0.343	53%	0.528	S	S	.	.	H	α-helix	trans	-56.3	-54.1	175.7	52.4	0	0	0	0	111.4	K147 L148	S145-K147 VanDerWaalsContact C-N 3.29Å; S145-K147 PolarHBondContact O-N 3.11Å; S145-L148 PolarHBondContact O-N 2.84Å; S145-L148 VanDerWaalsContact O-N 3.09Å
146	S	36	Very low	33.9	Very low	72 Å²	72	107 Å²	107	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-62.2	-27.9	-177.6	61.6	0	0	0	0	114.7	G142 S143	G142-S146 PolarHBondContact O-OG 3.31Å; G142-S146 VanDerWaalsContact O-OG 3.08Å; S143-S146 PolarHBondContact O-OG 3.4Å
147	K	36.8	Very low	33.5	Very low	127 Å²	127	106.3 Å²	106.3	55%	0.552	54%	0.539	S	S	*	.	H	α-helix	trans	-83.7	-9.9	178.2	-72	169.2	-171.3	156.6	0	113.5	S143 L144 S145	S143-K147 VanDerWaalsContact CB-NZ 3.34Å; S143-K147 WeakPolarHBondContact O-CB 3.48Å; S143-K147 WeakPolarHBondContact O-CD 3.42Å; S143-K147 WeakPolarHBondContact O-CG 3.44Å; S143-K147 PolarHBondContact O-N 2.72Å; S143-K147 PolarHBondContact OG-NZ 3.36Å; L144-K147 PolarHBondContact O-N 2.95Å; S145-K147 VanDerWaalsContact C-N 3.29Å; S145-K147 PolarHBondContact O-N 3.11Å
148	L	31.8	Very low	32.8	Very low	55 Å²	55	108.2 Å²	108.2	29%	0.288	56%	0.555	S	S	.	*	H	α-helix	trans	-103.4	-24.1	-176.1	-66.2	178.4	0	0	0	114.5	L47 R58 L144 S145	L47-L148 HydrophobicContact CD1-CD2 3.83Å; L47-L148 HydrophobicContact CD2-CD2 4.08Å; R58-L148 VanDerWaalsContact CZ-O 3.31Å; R58-L148 PolarHBondContact NH1-O 2.87Å; R58-L148 PolarHBondContact NH2-O 3.11Å; L144-L148 VanDerWaalsContact O-CG 3.26Å; L144-L148 WeakPolarHBondContact O-CG 3.47Å; L144-L148 PolarHBondContact O-N 3.09Å; S145-L148 PolarHBondContact O-N 2.84Å; S145-L148 VanDerWaalsContact O-N 3.09Å
149	S	39.9	Very low	32.1	Very low	59 Å²	59	111.2 Å²	111.2	41%	0.413	57%	0.573	S	S	.	*			trans	-109.5	87.2	-176.3	-159.8	0	0	0	0	114.4	E480	S149-E480 VanDerWaalsContact CB-OE1 3.28Å; S149-E480 WeakPolarHBondContact CB-OE1 3.35Å; S149-E480 WeakPolarHBondContact CB-OE2 3.47Å; S149-E480 PolarHBondContact OG-OE1 3.08Å
150	R	29.8	Very low	31.3	Very low	172 Å²	172	115.3 Å²	115.3	65%	0.649	60%	0.604	S	S	*	*			trans	-141.8	100.2	163.9	-75	-166.7	-178.5	179	2.5	112.6	S41	S41-R150 PolarHBondContact OG-NH1 2.64Å
151	K	28.5	Very low	30.6	Very low	207 Å²	207	117.6 Å²	117.6	90%	0.9	62%	0.616	S	S	*	*			trans	-144	96.7	161	-84.1	-168.9	176.5	178.2	0	111.3
152	Y	31.7	Very low	29.9	Very low	227 Å²	227	121 Å²	121	89%	0.89	64%	0.639	S	S	*	*			trans	-148.4	129.3	154.3	-153	-105.5	0	0	0	112.4
153	H	27.9	Very low	29.3	Very low	179 Å²	179	124 Å²	124	83%	0.829	65%	0.654	S	S	*	*			trans	-89.6	118.2	175.2	-79.7	-84.2	0	0	0	110.3	K155	H153-K155 PolarHBondContact O-N 2.96Å
154	K	26.6	Very low	28.8	Very low	186 Å²	186	130.1 Å²	130.1	81%	0.809	68%	0.684	S	S	*	*			trans	-76.5	104.4	174.2	-167.5	175.8	-175.3	179.4	0	109.7
155	K	28.3	Very low	28.7	Very low	149 Å²	149	132.4 Å²	132.4	65%	0.648	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-71.7	142.9	167	-76.1	-173.2	-179.8	176.6	0	109.9	H153	H153-K155 PolarHBondContact O-N 2.96Å
156	P	27.3	Very low	28.2	Very low	114 Å²	114	138.5 Å²	138.5	74%	0.74	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-71.2	157.1	161.1	32.8	-33.9	0	0	0	110.2
157	A	24.4	Very low	27.6	Very low	99 Å²	99	139.5 Å²	139.5	82%	0.818	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-93.3	125.9	168.2	0	0	0	0	0	109.2
158	E	24.1	Very low	27	Very low	190 Å²	190	138.5 Å²	138.5	89%	0.888	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-90.1	147.9	172	-68.6	-174.7	129.5	0	0	110.7
159	V	26.7	Very low	26.6	Very low	125 Å²	125	139.7 Å²	139.7	76%	0.758	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-99.4	117.7	-178.9	177.3	0	0	0	0	109.4
160	S	24.7	Very low	25.8	Very low	115 Å²	115	146 Å²	146	80%	0.804	78%	0.784	S	S	*	*			trans	-96.2	102.3	175	57	0	0	0	0	111.3
161	N	21.3	Very low	25.5	Very low	144 Å²	144	142.3 Å²	142.3	77%	0.77	79%	0.785	S	S	*	*			trans	-94.6	110.4	175.2	-78.4	-11.5	0	0	0	111.9
162	T	24.6	Very low	25.1	Very low	133 Å²	133	138.2 Å²	138.2	82%	0.816	78%	0.778	S	S	*	*			trans	-161.3	135.7	157.5	45.3	0	0	0	0	108.3
163	S	24.9	Very low	24.6	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	77%	0.769	S	S	*	*			cis	-170.8	128.6	-13.2	44	0	0	0	0	108.1
164	D	24.2	Very low	24.4	Very low	159 Å²	159	129.1 Å²	129.1	85%	0.85	77%	0.767	S	S	*	*			trans	-67.3	163.8	171.7	-52.3	-61.4	0	0	0	111.2
165	P	29.8	Very low	24.2	Very low	111 Å²	111	124.8 Å²	124.8	72%	0.721	76%	0.76	S	S	*	*				-143.9	154.2	92.7	38.4	-24.7	0	0	0	116.2
166	M	22.5	Very low	24	Very low	176 Å²	176	125.9 Å²	125.9	87%	0.867	77%	0.768	S	S	*	*			trans	68.9	138.9	156.7	-67.8	159.8	57.7	0	0	118.1
167	S	23.9	Very low	23.8	Very low	94 Å²	94	128.1 Å²	128.1	66%	0.657	77%	0.766	S	S	*	*			cis	-160.6	163.5	-12.2	55.6	0	0	0	0	110.9
168	S	23.5	Very low	23.7	Very low	105 Å²	105	130.1 Å²	130.1	73%	0.734	76%	0.758	S	S	*	*			trans	45.2	143	145.4	59.7	0	0	0	0	121.8
169	A	23.7	Very low	23.6	Very low	81 Å²	81	127.6 Å²	127.6	67%	0.669	75%	0.751	S	S	*	*			cis	-177.1	154.6	-15.3	0	0	0	0	0	106.8
170	E	23.9	Very low	23.5	Very low	190 Å²	190	126.9 Å²	126.9	89%	0.888	75%	0.746	S	S	*	*			trans	60.1	174.9	161.3	-71.2	173.9	170.7	0	0	116.2
171	S	23	Very low	23.3	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	75%	0.75	S	S	*	*			cis	-147.2	161.9	-44.7	56.1	0	0	0	0	111.7
172	T	21.1	Very low	23.5	Very low	121 Å²	121	129.1 Å²	129.1	74%	0.742	75%	0.748	S	S	*	*			trans	13.9	110	155.2	48	0	0	0	0	122.3
173	S	21	Very low	23.4	Very low	102 Å²	102	130 Å²	130	71%	0.713	75%	0.746	S	S	*	*				65.1	139.1	122.3	68.4	0	0	0	0	124
174	S	22.6	Very low	23.5	Very low	113 Å²	113	132.6 Å²	132.6	79%	0.79	75%	0.747	S	S	*	*			trans	73.7	155.7	156	85.1	0	0	0	0	116.2
175	S	23.1	Very low	23.8	Very low	94 Å²	94	131.6 Å²	131.6	66%	0.657	74%	0.741	S	S	*	*			cis	-163.7	163.1	-9.1	-124.6	0	0	0	0	110.8
176	Q	24	Very low	23.7	Very low	173 Å²	173	132.1 Å²	132.1	81%	0.808	74%	0.738	S	S	*	*			trans	68.2	140.7	163.2	-71.1	155.9	-34	0	0	115.6
177	K	23.3	Very low	24	Very low	161 Å²	161	129.1 Å²	129.1	70%	0.7	73%	0.725	S	S	*	*				56.6	127.6	64.6	-82.9	176.8	149	-78.6	0	111.8
178	E	22.8	Very low	24.2	Very low	141 Å²	141	131.1 Å²	131.1	66%	0.659	73%	0.729	S	S	*	*			cis	-148.3	171.4	-3.2	-101.6	144.6	152.7	0	0	105.7
179	N	21.9	Very low	24.5	Very low	136 Å²	136	130.8 Å²	130.8	73%	0.727	73%	0.726	S	S	*	*				-178	161.1	50.6	-144.4	7.4	0	0	0	112
180	V	23	Very low	24.9	Very low	110 Å²	110	134.4 Å²	134.4	67%	0.667	73%	0.732	S	S	*	*			trans	22.5	127.4	140.4	171.6	0	0	0	0	120.9
181	Q	22.1	Very low	25.2	Very low	190 Å²	190	130 Å²	130	89%	0.888	72%	0.722	S	S	*	*				-156.7	159.9	109.3	-143.1	150.2	18.1	0	0	113.9
182	T	24.1	Very low	25.8	Very low	116 Å²	116	129.9 Å²	129.9	71%	0.712	73%	0.727	S	S	*	*			trans	-124.1	163.2	-166.9	45.6	0	0	0	0	113
183	L	23.1	Very low	26.4	Very low	151 Å²	151	130.4 Å²	130.4	79%	0.791	73%	0.73	S	S	*	*			trans	-178.2	121.7	149.8	-89.2	149.4	0	0	0	104.4
184	E	28.1	Very low	27	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	73%	0.727	S	S	*	*				62.9	121.5	73.2	-62.9	178.3	160.2	0	0	110.7
185	D	28.6	Very low	27.3	Very low	138 Å²	138	133.5 Å²	133.5	74%	0.738	73%	0.728	S	S	*	*				-160.5	170.5	50.6	-125	22	0	0	0	110.9
186	N	29.3	Very low	27.6	Very low	121 Å²	121	133 Å²	133	65%	0.647	73%	0.729	S	S	*	*			cis	-167.2	-173.2	-12.1	-145.7	-32.3	0	0	0	111.6
187	N	28.9	Very low	28.6	Very low	113 Å²	113	131 Å²	131	60%	0.604	73%	0.731	S	S	*	*			trans	79.9	121.7	151.4	-81.9	58.5	0	0	0	124.5
188	D	28	Very low	28.8	Very low	137 Å²	137	128.2 Å²	128.2	73%	0.733	73%	0.732	S	S	*	*			trans	73.5	139.4	136	-63.4	-27.3	0	0	0	123.6
189	C	28.3	Very low	30.2	Very low	98 Å²	98	126.8 Å²	126.8	66%	0.662	74%	0.735	S	S	*	*			cis	-168.6	137.4	-21.7	-158.7	0	0	0	0	112.7
190	I	31.9	Very low	30.5	Very low	157 Å²	157	126.5 Å²	126.5	81%	0.805	74%	0.738	S	S	*	*			trans	58.6	139.8	151.2	-81.6	173	0	0	0	119.8
191	S	30.9	Very low	30.7	Very low	96 Å²	96	129 Å²	129	67%	0.671	74%	0.742	S	S	*	*			cis	-161.8	138.1	-4.2	46.8	0	0	0	0	109.9
192	A	35.6	Very low	30.9	Very low	94 Å²	94	129.7 Å²	129.7	78%	0.777	74%	0.743	S	S	*	*				70.7	152.2	91.4	0	0	0	0	0	115.3
193	V	33.5	Very low	31	Very low	132 Å²	132	132.2 Å²	132.2	80%	0.8	75%	0.746	S	S	*	*			cis	-145.4	161	35	173.3	0	0	0	0	113.5
194	T	33.4	Very low	31.2	Very low	106 Å²	106	129.2 Å²	129.2	65%	0.65	74%	0.738	S	S	*	*			trans	-59.1	-168.6	-169.8	60	0	0	0	0	118.6
195	E	29.3	Very low	31.1	Very low	174 Å²	174	127.7 Å²	127.7	81%	0.813	74%	0.735	S	S	*	*			cis	-161.1	178.7	17.4	-147.1	136.6	-99.5	0	0	115.1
196	A	28.9	Very low	31.1	Very low	84 Å²	84	129.1 Å²	129.1	69%	0.694	74%	0.737	S	S	*	*			trans	-134.5	172.8	172.5	0	0	0	0	0	110.5
197	P	45.4	Very low	30.9	Very low	130 Å²	130	128.9 Å²	128.9	84%	0.844	75%	0.745	S	S	*	*				-156.9	-168.6	93.9	41	-20.1	0	0	0	116.5
198	S	28.3	Very low	30.7	Very low	103 Å²	103	132.1 Å²	132.1	72%	0.72	76%	0.759	S	S	*	*			trans	-106.4	-151.1	176.7	57.4	0	0	0	0	110.4
199	P	51.1	Low	30.7	Very low	111 Å²	111	131.4 Å²	131.4	72%	0.721	76%	0.759	S	S	*	*			cis	-142.7	-157.5	-5.2	32.2	-5.7	0	0	0	116
200	V	28.4	Very low	30.5	Very low	130 Å²	130	131.8 Å²	131.8	79%	0.788	76%	0.763	S	S	*	*			trans	116.9	143.9	150.8	-174.3	0	0	0	0	118.1
201	E	28.1	Very low	30.2	Very low	162 Å²	162	128.8 Å²	128.8	76%	0.757	76%	0.756	S	S	*	*			trans	-97.6	168.5	-167.7	-39.5	159.8	106.9	0	0	114.7
202	K	26.6	Very low	30	Very low	206 Å²	206	132.6 Å²	132.6	90%	0.896	76%	0.76	S	S	*	*				-169.6	177.7	122.9	-105.7	163.2	-173.4	174.3	0	114.7
203	Q	26.5	Very low	29.5	Very low	168 Å²	168	135.9 Å²	135.9	79%	0.785	76%	0.76	S	S	*	*			trans	-114.9	154.7	-152.8	-59.6	172.4	-24.7	0	0	116.1
204	S	26.5	Very low	29.2	Very low	89 Å²	89	134.7 Å²	134.7	62%	0.622	76%	0.757	S	S	*	*			trans	54.8	124.4	139.7	65.8	0	0	0	0	122.7
205	N	26.8	Very low	29.2	Very low	132 Å²	132	135.8 Å²	135.8	71%	0.706	77%	0.766	S	S	*	*				162.2	128.2	96.4	-100.6	-22.4	0	0	0	116.3
206	Q	28.6	Very low	29.3	Very low	168 Å²	168	132.8 Å²	132.8	79%	0.785	76%	0.764	S	S	*	*			trans	48.5	112.7	133.6	-58.5	178.2	19.8	0	0	123.9
207	S	23.8	Very low	29.9	Very low	116 Å²	116	134.6 Å²	134.6	81%	0.811	77%	0.769	S	S	*	*				167.4	135.7	119.9	43.2	0	0	0	0	108.8
208	M	25.4	Very low	29.1	Very low	182 Å²	182	132 Å²	132	90%	0.897	76%	0.759	S	S	*	*				63.3	127.9	52.3	-76.6	-158.6	176.6	0	0	114.4
209	V	27.1	Very low	29	Very low	121 Å²	121	136.6 Å²	136.6	73%	0.733	77%	0.766	S	S	*	*			cis	-164.4	176.2	-9.7	98.5	0	0	0	0	109.8
210	S	24.6	Very low	27.9	Very low	106 Å²	106	140.7 Å²	140.7	74%	0.741	78%	0.775	S	S	*	*			trans	75.3	152.8	167.1	-77.5	0	0	0	0	119.5
211	S	26.1	Very low	27.8	Very low	95 Å²	95	139.8 Å²	139.8	66%	0.664	77%	0.77	S	S	*	*			cis	-171.3	155.3	-22.1	56.2	0	0	0	0	113.6
212	K	25.8	Very low	27.9	Very low	176 Å²	176	141.2 Å²	141.2	77%	0.765	77%	0.774	S	S	*	*			trans	67.9	114.7	154.2	-74.1	-178.4	176.6	-178.9	0	122
213	Q	26	Very low	27.8	Very low	162 Å²	162	143 Å²	143	76%	0.757	78%	0.775	S	S	*	*				54	108.3	124.2	-66.1	173.3	-57.9	0	0	121.8
214	S	27.4	Very low	28	Very low	108 Å²	108	144.2 Å²	144.2	76%	0.755	78%	0.778	S	S	*	*				28.6	132.2	129.2	61.2	0	0	0	0	120.6
215	P	32.8	Very low	27.9	Very low	128 Å²	128	148.6 Å²	148.6	83%	0.831	79%	0.786	S	S	*	*				-146.1	168.2	83	39.9	-24.7	0	0	0	117.3
216	S	31.9	Very low	27.9	Very low	111 Å²	111	151.3 Å²	151.3	78%	0.776	79%	0.791	S	S	*	*			trans	-75	163.4	168.6	-23.5	0	0	0	0	111.8
217	P	41.3	Very low	27.8	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	79%	0.788	S	S	*	*				-162.3	174.8	71.5	44.2	-22.8	0	0	0	120.3
218	A	27.3	Very low	27.9	Very low	77 Å²	77	148.4 Å²	148.4	64%	0.636	79%	0.789	S	S	*	*			trans	74.8	115.2	138.3	0	0	0	0	0	125.6
219	K	27.6	Very low	27.9	Very low	199 Å²	199	149.1 Å²	149.1	87%	0.865	79%	0.788	S	S	*	*				65.2	129.6	124.7	-61.5	173.1	-177.8	171.3	0	122.5
220	Q	27.1	Very low	27.8	Very low	196 Å²	196	149 Å²	149	92%	0.916	79%	0.792	S	S	*	*				-156.4	166.4	123.8	-110.2	-174.7	50.6	0	0	112.1
221	T	27.3	Very low	27.9	Very low	112 Å²	112	148.8 Å²	148.8	69%	0.687	79%	0.786	S	S	*	*			trans	-157.1	163.4	-167.7	63.9	0	0	0	0	115.9
222	K	29.3	Very low	27.9	Very low	191 Å²	191	154 Å²	154	83%	0.83	80%	0.797	S	S	*	*			trans	90.9	117.9	151.5	-68.2	162	-179.2	166.7	0	122.7
223	R	24.6	Very low	27.8	Very low	245 Å²	245	149.3 Å²	149.3	93%	0.925	80%	0.798	S	S	*	*				-149	133.6	125.5	-96.5	174	169.9	174.5	-5.1	105.5
224	K	29.9	Very low	27.8	Very low	193 Å²	193	146.9 Å²	146.9	84%	0.839	80%	0.799	S	S	*	*			cis	67.3	135	38	-95.4	-177.9	178.1	179.6	0	112.6
225	K	26.3	Very low	27.7	Very low	180 Å²	180	149.3 Å²	149.3	78%	0.783	80%	0.803	S	S	*	*			cis	-171.6	143.9	37.8	-165	-176.1	-175.5	-174.8	0	113.6
226	K	25.4	Very low	27.5	Very low	189 Å²	189	149.8 Å²	149.8	82%	0.822	80%	0.797	S	S	*	*			trans	50.5	148.6	157	-78.6	-171.8	169.3	-161.8	0	120.7
227	A	28	Very low	27.2	Very low	86 Å²	86	155 Å²	155	71%	0.711	80%	0.799	S	S	*	*			cis	93.6	115.7	0.6	0	0	0	0	0	121.5
228	T	24.2	Very low	26.4	Very low	138 Å²	138	157.7 Å²	157.7	85%	0.847	80%	0.799	S	S	*	*			trans	-161.1	146.7	154.6	13.4	0	0	0	0	107.7
229	F	25.7	Very low	26.4	Very low	197 Å²	197	163.8 Å²	163.8	86%	0.864	81%	0.811	S	S	*	*			cis	91.8	103.3	16.2	-103.5	-79.6	0	0	0	118.8
230	S	25.1	Very low	26.4	Very low	119 Å²	119	159.1 Å²	159.1	83%	0.832	81%	0.809	S	S	*	*			trans	172.2	142.4	145.4	-170	0	0	0	0	113.5
231	V	27.1	Very low	26.3	Very low	100 Å²	100	157.8 Å²	157.8	61%	0.606	80%	0.801	S	S	*	*			cis	-175.1	164.5	-37.9	121.7	0	0	0	0	112.3
232	K	25.3	Very low	26.2	Very low	206 Å²	206	162.7 Å²	162.7	90%	0.896	81%	0.808	S	S	*	*			trans	77.9	150	168.6	-82.4	152.9	-169.3	177.8	0	118.4
233	G	25.1	Very low	26	Very low	77 Å²	77	161.1 Å²	161.1	79%	0.794	80%	0.803	S	S	*	*			cis	-165	170.3	1.4	0	0	0	0	0	114.1
234	S	25.3	Very low	26	Very low	111 Å²	111	152.7 Å²	152.7	78%	0.776	79%	0.793	S	S	*	*			trans	-118.7	142.8	-165.6	175.3	0	0	0	0	114.9
235	L	26.3	Very low	25.8	Very low	158 Å²	158	149.8 Å²	149.8	83%	0.827	80%	0.797	S	S	*	*			trans	-149.2	116.4	157.9	-76.6	179.3	0	0	0	108.7
236	I	28.1	Very low	25.7	Very low	139 Å²	139	144.7 Å²	144.7	71%	0.713	80%	0.795	S	S	*	*				78.2	89.9	83	-64.8	-179.1	0	0	0	116.1
237	R	24.7	Very low	25.7	Very low	219 Å²	219	139 Å²	139	83%	0.826	79%	0.79	S	S	*	*				55.8	108.5	116.3	-160.4	-158.2	-165.4	-179.2	6.3	120.5
238	K	25.7	Very low	25.6	Very low	180 Å²	180	144.2 Å²	144.2	78%	0.783	80%	0.8	S	S	*	*				161.8	141.8	120.3	-92.2	-179.5	-177.3	176	0	116.3
239	K	25.9	Very low	25.8	Very low	205 Å²	205	141.6 Å²	141.6	89%	0.891	79%	0.793	S	S	*	*			trans	31.6	125.8	144.7	-72.5	-166.1	169.2	-167	0	122.9
240	A	28.3	Very low	25.8	Very low	100 Å²	100	137.8 Å²	137.8	83%	0.826	79%	0.79	S	S	*	*			trans	-39.8	158.8	152	0	0	0	0	0	118.9
241	K	24.4	Very low	25.9	Very low	169 Å²	169	136.8 Å²	136.8	74%	0.735	78%	0.783	S	S	*	*			trans	-149.9	165.5	139.7	-145.3	-157.6	170.1	-164	0	111.4	E243	K241-E243 VanDerWaalsContact CE-OE1 3.31Å; K241-E243 WeakPolarHBondContact CE-OE1 3.4Å; K241-E243 IonicContact NZ-OE1 2.67Å; K241-E243 PolarHBondContact NZ-OE1 3.37Å; K241-E243 IonicContact NZ-OE2 3.33Å; K241-E243 PolarHBondContact NZ-OE2 2.87Å
242	Y	25.5	Very low	25.7	Very low	215 Å²	215	137.7 Å²	137.7	84%	0.843	79%	0.793	S	S	*	*			trans	-105.9	146	176.9	-142.1	-99.4	0	0	0	108.4
243	E	24.9	Very low	25.8	Very low	157 Å²	157	135.9 Å²	135.9	73%	0.734	79%	0.792	S	S	*	*			trans	176.4	155.9	155.9	-106.6	124.5	-138.3	0	0	109.5	K241	K241-E243 VanDerWaalsContact CE-OE1 3.31Å; K241-E243 WeakPolarHBondContact CE-OE1 3.4Å; K241-E243 IonicContact NZ-OE1 2.67Å; K241-E243 PolarHBondContact NZ-OE1 3.37Å; K241-E243 IonicContact NZ-OE2 3.33Å; K241-E243 PolarHBondContact NZ-OE2 2.87Å
244	G	25.4	Very low	26	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	79%	0.793	S	S	*	*			cis	151	88.6	-4	0	0	0	0	0	113.5
245	S	26.2	Very low	27.3	Very low	131 Å²	131	139.3 Å²	139.3	92%	0.916	79%	0.789	S	S	*	*			trans	-19.3	145.4	173	-167.8	0	0	0	0	120.8
246	G	24.1	Very low	27.4	Very low	73 Å²	73	139.9 Å²	139.9	75%	0.753	79%	0.788	S	S	*	*			trans	149.1	130.1	140.2	0	0	0	0	0	119.6
247	G	25.1	Very low	27.6	Very low	69 Å²	69	139.5 Å²	139.5	71%	0.711	79%	0.787	S	S	*	*			trans	71.1	166.2	161.9	0	0	0	0	0	118
248	E	26.4	Very low	27.7	Very low	197 Å²	197	136 Å²	136	92%	0.921	79%	0.79	S	S	*	*			cis	-174.3	161.6	-11.9	-103.3	177.3	-113.2	0	0	106.4
249	A	26.4	Very low	27.9	Very low	83 Å²	83	134 Å²	134	69%	0.686	79%	0.788	S	S	*	*			cis	-166.8	-177.4	-13.5	0	0	0	0	0	109.2
250	S	27.1	Very low	27.9	Very low	117 Å²	117	131.1 Å²	131.1	82%	0.818	79%	0.788	S	S	*	*			trans	67.7	159.6	171	-109.8	0	0	0	0	117.9
251	S	26.6	Very low	28.1	Very low	98 Å²	98	135.9 Å²	135.9	69%	0.685	79%	0.793	S	S	*	*			cis	-170.5	141.7	-31.9	44.3	0	0	0	0	111.6
252	C	23.6	Very low	28.3	Very low	118 Å²	118	131 Å²	131	80%	0.797	79%	0.79	S	S	*	*			trans	9.9	134.5	157.5	-51.1	0	0	0	0	121.9
253	L	25.8	Very low	28.5	Very low	169 Å²	169	130.8 Å²	130.8	89%	0.885	80%	0.797	S	S	*	*				168.3	144.6	111.5	-87.6	168.7	0	0	0	113
254	D	30.5	Very low	28.6	Very low	152 Å²	152	126.3 Å²	126.3	81%	0.813	79%	0.794	S	S	*	*			trans	-87.8	-166.6	167.7	-45.8	-85.6	0	0	0	110.2
255	P	51.7	Low	28.7	Very low	107 Å²	107	128.5 Å²	128.5	70%	0.695	80%	0.798	S	S	*	*			cis	-144.3	-159	0.8	43.7	-21.8	0	0	0	116.3
256	E	28.6	Very low	28.7	Very low	171 Å²	171	129.9 Å²	129.9	80%	0.799	80%	0.795	S	S	*	*			trans	84.1	103.4	151.7	-79.8	177	-152.7	0	0	123.1
257	D	32.9	Very low	28.7	Very low	130 Å²	130	135.6 Å²	135.6	70%	0.695	80%	0.799	S	S	*	*				50.3	140.5	114.1	-77.3	27.5	0	0	0	124.7
258	T	26.4	Very low	30	Very low	146 Å²	146	137.6 Å²	137.6	90%	0.896	80%	0.8	S	S	*	*			trans	-156.2	142.5	130.2	-5.6	0	0	0	0	111.7
259	N	29.7	Very low	29.8	Very low	137 Å²	137	136.8 Å²	136.8	73%	0.733	79%	0.793	S	S	*	*			trans	-113.8	162.2	-177.7	-80.9	-71.4	0	0	0	112.5
260	T	25.8	Very low	29.8	Very low	146 Å²	146	139 Å²	139	90%	0.896	79%	0.793	S	S	*	*			trans	-140.6	146.4	160.5	-44.6	0	0	0	0	110.9
261	E	34.2	Very low	29.6	Very low	199 Å²	199	138.4 Å²	138.4	93%	0.93	79%	0.79	S	S	*	*			trans	-81.4	170.7	-170.9	-52.4	177.8	133.1	0	0	113.5
262	G	27.2	Very low	29.5	Very low	66 Å²	66	142.1 Å²	142.1	68%	0.68	80%	0.796	S	S	*	*			cis	174.3	-149.8	5	0	0	0	0	0	113.5
263	Q	29.7	Very low	29.7	Very low	211 Å²	211	144.5 Å²	144.5	99%	0.986	80%	0.8	S	S	*	*			trans	76.4	132.1	-171	-51	-178.3	1.1	0	0	115.2
264	G	27.2	Very low	29.7	Very low	64 Å²	64	142.5 Å²	142.5	66%	0.66	80%	0.8	S	S	*	*			cis	165.5	140.6	-13.5	0	0	0	0	0	113.5
265	S	27	Very low	29.5	Very low	115 Å²	115	142.2 Å²	142.2	80%	0.804	79%	0.794	S	S	*	*			trans	56.7	143.8	168.9	54	0	0	0	0	118.9
266	D	26.8	Very low	28.3	Very low	160 Å²	160	145 Å²	145	86%	0.856	80%	0.795	S	S	*	*			cis	-156.7	178.6	-6.3	-121.5	-44.6	0	0	0	112.2
267	K	24.7	Very low	28.3	Very low	192 Å²	192	141.8 Å²	141.8	84%	0.835	79%	0.791	S	S	*	*			trans	-104.7	-178.6	179.4	-76.6	-177.3	179.3	177.1	0	112.2
268	P	51	Low	27.9	Very low	111 Å²	111	143.9 Å²	143.9	72%	0.721	80%	0.803	S	S	*	*				-136	-161.3	-51.1	40.3	-23	0	0	0	112.8
269	F	23	Very low	28	Very low	181 Å²	181	141.1 Å²	141.1	79%	0.794	80%	0.795	S	S	*	*			trans	128.9	166.5	137.4	-136.3	-106.7	0	0	0	118.5
270	N	25.8	Very low	27.8	Very low	128 Å²	128	142 Å²	142	68%	0.684	80%	0.8	S	S	*	*			trans	-84.7	156.6	-160.4	-51.4	-27.5	0	0	0	116
271	S	23.7	Very low	27.9	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	79%	0.789	S	S	*	*				-179.2	134.7	114.4	60.9	0	0	0	0	115.9
272	E	25.2	Very low	27.5	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.822	78%	0.784	S	S	*	*			trans	31.3	127.3	139.2	-58.1	-176.2	131.6	0	0	124.4
273	L	27.9	Very low	27.6	Very low	168 Å²	168	142.9 Å²	142.9	88%	0.88	79%	0.789	S	S	*	*			trans	27.2	120.1	131.5	-71.7	157.8	0	0	0	121.7
274	S	25.1	Very low	27.6	Very low	126 Å²	126	141 Å²	141	88%	0.881	78%	0.78	S	S	*	*			trans	-157	163.9	132.8	60.4	0	0	0	0	112.6
275	E	25.8	Very low	27.7	Very low	146 Å²	146	144.2 Å²	144.2	68%	0.682	79%	0.787	S	S	*	*			trans	-88.1	158.8	-168.2	-43.5	177.7	104.3	0	0	115.5
276	K	26.3	Very low	28	Very low	165 Å²	165	144.3 Å²	144.3	72%	0.717	79%	0.787	S	S	*	*			trans	64.2	147.8	150.5	-67.7	151	-164	159.1	0	116.8
277	S	28.8	Very low	28.4	Very low	104 Å²	104	143.9 Å²	143.9	73%	0.727	79%	0.785	S	S	*	*			cis	-165.4	144.9	-9.4	46.9	0	0	0	0	108.2
278	D	25.1	Very low	29.1	Very low	175 Å²	175	139.5 Å²	139.5	94%	0.936	79%	0.785	S	S	*	*			trans	-159.9	172.2	145.9	-118.7	-34.4	0	0	0	111.8
279	A	27.6	Very low	29.2	Very low	88 Å²	88	141 Å²	141	73%	0.727	78%	0.782	S	S	*	*			trans	-109.8	165.8	-167.5	0	0	0	0	0	115.4
280	D	25.7	Very low	31.5	Very low	156 Å²	156	135.4 Å²	135.4	83%	0.834	77%	0.766	S	S	*	*			trans	94.9	160.5	141.8	-143	2.6	0	0	0	120.2
281	V	28.5	Very low	34.2	Very low	111 Å²	111	131.9 Å²	131.9	67%	0.673	75%	0.747	S	S	*	*			trans	63.4	88.6	173.3	-162.8	0	0	0	0	116.7	V283	V281-V283 PolarHBondContact O-N 3.19Å
282	K	26.7	Very low	37.2	Very low	189 Å²	189	127.3 Å²	127.3	82%	0.822	72%	0.715	S	S	*	*			trans	-62	128.3	148.4	-74.6	-179.9	175.9	179.2	0	109.4	E284	K282-E284 PolarHBondContact O-N 3.02Å
283	V	28.1	Very low	40	Very low	129 Å²	129	119.7 Å²	119.7	78%	0.782	68%	0.678	S	S	*	*			trans	-78.1	100.6	164.2	178.8	0	0	0	0	108.5	V281 T285	V281-V283 PolarHBondContact O-N 3.19Å; V283-T285 PolarHBondContact O-N 3.45Å
284	E	29.8	Very low	42.8	Very low	170 Å²	170	111.7 Å²	111.7	79%	0.794	64%	0.636	S	S	*	*			trans	-75.5	113.1	166	-68.7	-170.9	159.1	0	0	109	K282 S286	K282-E284 PolarHBondContact O-N 3.02Å; E284-S286 PolarHBondContact O-N 3.14Å; E284-S286 VanDerWaalsContact O-N 3.12Å
285	T	30.4	Very low	45.9	Very low	132 Å²	132	105.7 Å²	105.7	81%	0.81	59%	0.594	S	S	*	*			trans	-66.5	108.3	171.7	47.5	0	0	0	0	108.9	V283 D287	V283-T285 PolarHBondContact O-N 3.45Å; T285-D287 PolarHBondContact O-N 2.86Å
286	S	33.2	Very low	48.9	Very low	117 Å²	117	102.9 Å²	102.9	82%	0.818	58%	0.578	S	S	*	*			trans	-59.8	125.5	-175.4	58.6	0	0	0	0	112.1	E284	E284-S286 PolarHBondContact O-N 3.14Å; E284-S286 VanDerWaalsContact O-N 3.12Å
287	D	34.9	Very low	51.9	Low	152 Å²	152	95.2 Å²	95.2	81%	0.813	54%	0.544	S	S	*	.			trans	-54.7	147.6	-179.9	-125	-33	0	0	0	113.1	T285 Q289	T285-D287 PolarHBondContact O-N 2.86Å; D287-Q289 VanDerWaalsContact C-N 3.26Å; D287-Q289 PolarHBondContact O-N 3.1Å
288	A	39.3	Very low	54.9	Low	100 Å²	100	90.2 Å²	90.2	83%	0.826	51%	0.51	S	S	*	.			trans	-75.4	76.1	178.7	0	0	0	0	0	110.9	S290	A288-S290 PolarHBondContact O-N 3.36Å; A288-S290 VanDerWaalsContact O-N 3.14Å
289	Q	52.8	Low	58.1	Low	141 Å²	141	86.2 Å²	86.2	66%	0.659	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-54.7	118.5	-176.7	-71.9	-170.1	-8.5	0	0	112.4	D287 L291	D287-Q289 VanDerWaalsContact C-N 3.26Å; D287-Q289 PolarHBondContact O-N 3.1Å; Q289-L291 PolarHBondContact O-N 3.42Å
290	S	71.3	Confident	61	Low	65 Å²	65	84.2 Å²	84.2	46%	0.455	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-50.1	126.6	172.5	-171.6	0	0	0	0	110.7	D73 A288	D73-S290 PolarHBondContact OD1-OG 3.41Å; A288-S290 PolarHBondContact O-N 3.36Å; A288-S290 VanDerWaalsContact O-N 3.14Å
291	L	82.6	Confident	64	Low	54 Å²	54	76.9 Å²	76.9	28%	0.283	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-75.7	129	-179.1	-70	176	0	0	0	109.9	Q289 L295 V331	Q289-L291 PolarHBondContact O-N 3.42Å; L291-L295 HydrophobicContact CD2-CD2 4.36Å; L291-V331 HydrophobicContact CD2-CG1 3.75Å
292	P	85.5	Confident	67.1	Low	10 Å²	10	72.1 Å²	72.1	7%	0.065	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-63.7	145.3	-177.6	27.9	-35.6	0	0	0	110.7	Y294 L295 R296 K335	P292-Y294 HydrophobicContact CB-CD1 3.95Å; P292-Y294 HydrophobicContact CB-CE1 3.53Å; P292-Y294 HydrophobicContact CG-CD1 4.39Å; P292-Y294 HydrophobicContact CG-CE1 3.75Å; P292-Y294 HydrophobicContact CG-CE2 4.27Å; P292-Y294 PolarHBondContact O-N 2.94Å; P292-L295 HydrophobicContact CG-CB 4.46Å; P292-L295 PolarHBondContact O-N 3.22Å; P292-R296 PolarHBondContact O-N 3.21Å; P292-R296 VanDerWaalsContact O-N 3.14Å; P292-K335 HydrophobicContact CG-CD 4.18Å; P292-K335 HydrophobicContact CG-CG 4.06Å
293	Y	84.4	Confident	70.1	Confident	15 Å²	15	68.6 Å²	68.6	6%	0.059	38%	0.378	C	S	.	.	H	α-helix	trans	-53.3	-37.3	-166.6	82	-82.7	0	0	0	113.5	I65 D66 L295 R296 N297 L494	I65-Y293 HydrophobicContact CB-CE1 4.34Å; I65-Y293 HydrophobicContact CG2-CD1 3.47Å; I65-Y293 VanDerWaalsContact CG2-CD1 3.47Å; I65-Y293 HydrophobicContact CG2-CE1 3.51Å; I65-Y293 HydrophobicContact CG2-CG 4.27Å; D66-Y293 WeakPolarHBondContact OD1-CD1 3.39Å; D66-Y293 VanDerWaalsContact OD1-CE1 3.27Å; D66-Y293 WeakPolarHBondContact OD1-CE1 3.3Å; Y293-L295 VanDerWaalsContact C-N 3.28Å; Y293-L295 PolarHBondContact O-N 3.02Å; Y293-R296 PolarHBondContact O-N 3.13Å; Y293-N297 VanDerWaalsContact O-CB 3.26Å; Y293-N297 WeakPolarHBondContact O-CB 3.35Å; Y293-N297 PolarHBondContact O-N 3.14Å; Y293-N297 PolarHBondContact O-OD1 3.43Å; Y293-L494 HydrophobicContact CD1-CD2 4.5Å; Y293-L494 HydrophobicContact CD2-CB 3.86Å; Y293-L494 HydrophobicContact CD2-CD1 4.07Å; Y293-L494 HydrophobicContact CD2-CD2 3.69Å; Y293-L494 HydrophobicContact CD2-CG 4.07Å; Y293-L494 HydrophobicContact CE2-CB 4.36Å; Y293-L494 HydrophobicContact CE2-CD2 3.82Å; Y293-L494 HydrophobicContact CG-CD1 4Å; Y293-L494 HydrophobicContact CG-CD2 4.04Å; Y293-L494 HydrophobicContact CG-CG 4.44Å
294	Y	86.3	Confident	73	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-64.9	-34	-176.6	60.6	-96.8	0	0	0	112.1	D66 P292 F298 K335 V338 R339	D66-Y294 WeakPolarHBondContact OD1-CD1 3.4Å; D66-Y294 VanDerWaalsContact OD1-CE1 3.29Å; D66-Y294 WeakPolarHBondContact OD1-CE1 3.33Å; P292-Y294 HydrophobicContact CB-CD1 3.95Å; P292-Y294 HydrophobicContact CB-CE1 3.53Å; P292-Y294 HydrophobicContact CG-CD1 4.39Å; P292-Y294 HydrophobicContact CG-CE1 3.75Å; P292-Y294 HydrophobicContact CG-CE2 4.27Å; P292-Y294 PolarHBondContact O-N 2.94Å; Y294-F298 WeakPolarHBondContact O-CB 3.26Å; Y294-F298 PolarHBondContact O-N 3.45Å; Y294-K335 HydrophobicContact CE2-CB 4.19Å; Y294-K335 HydrophobicContact CE2-CG 4.42Å; Y294-V338 HydrophobicContact CD2-CB 4.06Å; Y294-V338 HydrophobicContact CD2-CG1 3.82Å; Y294-R339 HydrophobicContact CD2-CG 4.45Å; Y294-R339 HydrophobicContact CE2-CG 3.76Å
295	L	90.5	Very high	75.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-81.3	-39.7	176.1	178.7	57	0	0	0	111.4	L291 P292 Y293 F298 R299 F326 V331 Q334 K335 V338	L291-L295 HydrophobicContact CD2-CD2 4.36Å; P292-L295 HydrophobicContact CG-CB 4.46Å; P292-L295 PolarHBondContact O-N 3.22Å; Y293-L295 VanDerWaalsContact C-N 3.28Å; Y293-L295 PolarHBondContact O-N 3.02Å; L295-F298 PolarHBondContact O-N 3.3Å; L295-R299 HydrophobicContact CD1-CG 4.33Å; L295-R299 WeakPolarHBondContact O-CG 3.43Å; L295-R299 PolarHBondContact O-N 3.2Å; L295-F326 HydrophobicContact CD1-CZ 3.94Å; L295-V331 HydrophobicContact CD2-CG1 4.38Å; L295-Q334 HydrophobicContact CD1-CB 3.86Å; L295-Q334 HydrophobicContact CD2-CB 4.04Å; L295-K335 HydrophobicContact CD2-CG 3.91Å; L295-V338 HydrophobicContact CD1-CG2 4.06Å
296	R	89.8	Confident	78.8	Confident	88 Å²	88	50.9 Å²	50.9	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-56.2	-54.2	173.4	-176.8	175.7	-179.2	153.1	0.8	110.5	D76 P292 Y293 F298 R299 T300	D76-R296 IonicContact OD1-CZ 2.7Å; D76-R296 IonicContact OD1-NH1 2.69Å; D76-R296 PolarHBondContact OD1-NH1 3.09Å; D76-R296 IonicContact OD1-NH2 2.79Å; D76-R296 PolarHBondContact OD1-NH2 3.35Å; D76-R296 IonicContact OD2-CZ 2.62Å; D76-R296 IonicContact OD2-NH1 3.55Å; D76-R296 PolarHBondContact OD2-NH1 3.33Å; D76-R296 IonicContact OD2-NH2 2.58Å; D76-R296 PolarHBondContact OD2-NH2 3.02Å; P292-R296 PolarHBondContact O-N 3.21Å; P292-R296 VanDerWaalsContact O-N 3.14Å; Y293-R296 PolarHBondContact O-N 3.13Å; R296-F298 PolarHBondContact O-N 3.1Å; R296-R299 WeakPolarHBondContact O-CB 3.2Å; R296-R299 PolarHBondContact O-N 3.34Å; R296-T300 PolarHBondContact O-N 2.83Å; R296-T300 PolarHBondContact O-OG1 3.3Å; R296-T300 VanDerWaalsContact O-OG1 3.1Å
297	N	89.3	Confident	81.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-67.3	-34.5	-177.6	-63.1	1.1	0	0	0	112.3	Y293 T300 V301 L490 I493 L494 N497	Y293-N297 VanDerWaalsContact O-CB 3.26Å; Y293-N297 WeakPolarHBondContact O-CB 3.35Å; Y293-N297 PolarHBondContact O-N 3.14Å; Y293-N297 PolarHBondContact O-OD1 3.43Å; N297-T300 WeakPolarHBondContact O-CB 3.49Å; N297-T300 PolarHBondContact O-N 3.42Å; N297-V301 WeakPolarHBondContact O-CG2 3.44Å; N297-V301 PolarHBondContact O-N 2.97Å; N297-L490 HydrophobicContact CB-CD2 4.11Å; N297-L490 PolarHBondContact ND2-O 3.18Å; N297-I493 HydrophobicContact CB-CB 4.17Å; N297-I493 HydrophobicContact CB-CG2 3.89Å; N297-I493 VanDerWaalsContact CG-CG2 3.49Å; N297-L494 WeakPolarHBondContact ND2-CA 3.46Å; N297-L494 PolarHBondContact ND2-N 2.83Å; N297-N497 PolarHBondContact OD1-ND2 3.24Å
298	F	91.4	Very high	84.2	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-39.7	174.9	-174.4	-98	0	0	0	111.7	Y294 L295 R296 V301 L302 F326 Y337 V338 F341 F464 L468 L490	Y294-F298 WeakPolarHBondContact O-CB 3.26Å; Y294-F298 PolarHBondContact O-N 3.45Å; L295-F298 PolarHBondContact O-N 3.3Å; R296-F298 PolarHBondContact O-N 3.1Å; F298-V301 PolarHBondContact O-N 3.08Å; F298-L302 HydrophobicContact CD1-CD1 3.95Å; F298-L302 HydrophobicContact CE1-CD1 3.78Å; F298-L302 HydrophobicContact CE1-CG 4.37Å; F298-L302 WeakPolarHBondContact O-CG 3.34Å; F298-L302 PolarHBondContact O-N 3.42Å; F298-F326 AromaticContact CD1-CE1 3.92Å; F298-F326 HydrophobicContact CD1-CE1 3.92Å; F298-F326 AromaticContact CD1-CZ 3.71Å; F298-F326 HydrophobicContact CD1-CZ 3.71Å; F298-F326 HydrophobicContact CE1-CD1 4.37Å; F298-F326 AromaticContact CE1-CE1 3.79Å; F298-F326 HydrophobicContact CE1-CE1 3.79Å; F298-F326 HydrophobicContact CE1-CE2 4.06Å; F298-F326 AromaticContact CE1-CZ 3.61Å; F298-F326 HydrophobicContact CE1-CZ 3.61Å; F298-Y337 HydrophobicContact CZ-CE1 4.41Å; F298-V338 HydrophobicContact CB-CG1 4.12Å; F298-V338 HydrophobicContact CB-CG2 4.06Å; F298-V338 HydrophobicContact CD1-CG2 3.52Å; F298-V338 HydrophobicContact CD2-CG1 4.32Å; F298-V338 HydrophobicContact CD2-CG2 4.26Å; F298-V338 HydrophobicContact CE1-CG2 3.93Å; F298-V338 HydrophobicContact CG-CG1 4.21Å; F298-V338 HydrophobicContact CG-CG2 3.7Å; F298-V338 HydrophobicContact CZ-CG2 4.45Å; F298-F341 AromaticContact CE2-CD1 3.92Å; F298-F341 HydrophobicContact CE2-CD1 3.92Å; F298-F341 AromaticContact CE2-CE1 3.88Å; F298-F341 HydrophobicContact CE2-CE1 3.88Å; F298-F341 HydrophobicContact CE2-CZ 4.46Å; F298-F464 HydrophobicContact CE1-CD1 4.15Å; F298-F464 HydrophobicContact CE1-CE1 4.4Å; F298-F464 HydrophobicContact CE2-CB 4.36Å; F298-F464 HydrophobicContact CZ-CB 4Å; F298-F464 AromaticContact CZ-CD1 3.66Å; F298-F464 HydrophobicContact CZ-CD1 3.66Å; F298-F464 HydrophobicContact CZ-CD2 4.48Å; F298-F464 HydrophobicContact CZ-CE1 4.31Å; F298-F464 AromaticContact CZ-CG 3.78Å; F298-F464 HydrophobicContact CZ-CG 3.78Å; F298-L468 HydrophobicContact CD2-CD1 4.43Å; F298-L468 HydrophobicContact CE2-CD1 3.99Å; F298-L490 HydrophobicContact CB-CD2 4.06Å; F298-L490 HydrophobicContact CD2-CD1 4.25Å; F298-L490 HydrophobicContact CD2-CD2 4.4Å
299	R	91.9	Very high	86.6	Confident	90 Å²	90	47.9 Å²	47.9	34%	0.34	24%	0.238	S	C	.	.	H	α-helix	trans	-64	-38.9	170	-71	174.3	172	-167.3	-1.3	111.9	L295 R296 L302 H303 Q334	L295-R299 HydrophobicContact CD1-CG 4.33Å; L295-R299 WeakPolarHBondContact O-CG 3.43Å; L295-R299 PolarHBondContact O-N 3.2Å; R296-R299 WeakPolarHBondContact O-CB 3.2Å; R296-R299 PolarHBondContact O-N 3.34Å; R299-L302 WeakPolarHBondContact O-CB 3.46Å; R299-L302 PolarHBondContact O-N 3.1Å; R299-H303 WeakPolarHBondContact O-CB 3.14Å; R299-H303 PolarHBondContact O-N 3.48Å; R299-Q334 VanDerWaalsContact NE-OE1 3.13Å
300	T	88.9	Confident	88.3	Confident	47 Å²	47	43.9 Å²	43.9	29%	0.288	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-44	174.3	-54.9	0	0	0	0	112.5	R296 N297 H303 A304	R296-T300 PolarHBondContact O-N 2.83Å; R296-T300 PolarHBondContact O-OG1 3.3Å; R296-T300 VanDerWaalsContact O-OG1 3.1Å; N297-T300 WeakPolarHBondContact O-CB 3.49Å; N297-T300 PolarHBondContact O-N 3.42Å; T300-H303 PolarHBondContact O-N 2.81Å; T300-A304 WeakPolarHBondContact O-CB 3.29Å; T300-A304 PolarHBondContact O-N 3.07Å
301	V	89.2	Confident	89.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-45.4	175.8	173.1	0	0	0	0	111.4	N297 F298 H303 A304 V305 I467 L468 F471 L490 I493	N297-V301 WeakPolarHBondContact O-CG2 3.44Å; N297-V301 PolarHBondContact O-N 2.97Å; F298-V301 PolarHBondContact O-N 3.08Å; V301-H303 VanDerWaalsContact C-N 3.29Å; V301-H303 PolarHBondContact O-N 2.9Å; V301-A304 PolarHBondContact O-N 3.46Å; V301-V305 WeakPolarHBondContact O-CG2 3.27Å; V301-V305 PolarHBondContact O-N 3.35Å; V301-I467 HydrophobicContact CG1-CG2 4.18Å; V301-L468 HydrophobicContact CG1-CD1 4.23Å; V301-L468 HydrophobicContact CG1-CG 4.05Å; V301-F471 HydrophobicContact CB-CD2 4.22Å; V301-F471 HydrophobicContact CB-CE2 4.49Å; V301-F471 HydrophobicContact CB-CG 4.47Å; V301-F471 HydrophobicContact CG1-CB 3.79Å; V301-F471 HydrophobicContact CG1-CD1 4.46Å; V301-F471 HydrophobicContact CG1-CD2 3.83Å; V301-F471 HydrophobicContact CG1-CG 3.77Å; V301-F471 HydrophobicContact CG2-CD1 4.22Å; V301-F471 HydrophobicContact CG2-CD2 4.05Å; V301-F471 HydrophobicContact CG2-CE1 4.17Å; V301-F471 HydrophobicContact CG2-CE2 4Å; V301-F471 HydrophobicContact CG2-CG 4.16Å; V301-F471 HydrophobicContact CG2-CZ 4.06Å; V301-L490 HydrophobicContact CG2-CD2 3.98Å; V301-I493 HydrophobicContact CG2-CD1 3.3Å
302	L	91.8	Very high	89.9	Confident	11 Å²	11	44.4 Å²	44.4	6%	0.058	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-44.5	175.1	-79.6	175.7	0	0	0	112	F298 R299 L306 F326 F464 I467	F298-L302 HydrophobicContact CD1-CD1 3.95Å; F298-L302 HydrophobicContact CE1-CD1 3.78Å; F298-L302 HydrophobicContact CE1-CG 4.37Å; F298-L302 WeakPolarHBondContact O-CG 3.34Å; F298-L302 PolarHBondContact O-N 3.42Å; R299-L302 WeakPolarHBondContact O-CB 3.46Å; R299-L302 PolarHBondContact O-N 3.1Å; L302-L306 HydrophobicContact CD2-CD1 4.33Å; L302-L306 VanDerWaalsContact O-CB 3.26Å; L302-L306 WeakPolarHBondContact O-CB 3.18Å; L302-L306 VanDerWaalsContact O-CG 3.24Å; L302-L306 WeakPolarHBondContact O-CG 3.43Å; L302-L306 PolarHBondContact O-N 2.93Å; L302-L306 VanDerWaalsContact O-N 3.14Å; L302-F326 HydrophobicContact CD1-CD1 3.95Å; L302-F326 HydrophobicContact CD1-CE1 3.88Å; L302-F464 HydrophobicContact CD1-CE1 4.3Å; L302-F464 HydrophobicContact CD2-CD1 3.71Å; L302-F464 HydrophobicContact CD2-CE1 3.89Å; L302-I467 HydrophobicContact CD2-CD1 3.56Å; L302-I467 HydrophobicContact CD2-CG2 4.12Å
303	H	90.6	Very high	90.3	Very high	115 Å²	115	49.6 Å²	49.6	53%	0.532	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-58.2	179.3	-153.8	-91.4	0	0	0	110.9	R299 T300 V301 V305 L306 E307	R299-H303 WeakPolarHBondContact O-CB 3.14Å; R299-H303 PolarHBondContact O-N 3.48Å; T300-H303 PolarHBondContact O-N 2.81Å; V301-H303 VanDerWaalsContact C-N 3.29Å; V301-H303 PolarHBondContact O-N 2.9Å; H303-V305 PolarHBondContact O-N 3.05Å; H303-V305 VanDerWaalsContact O-N 3.09Å; H303-L306 PolarHBondContact O-N 3.38Å; H303-L306 VanDerWaalsContact O-N 3.09Å; H303-E307 IonicContact CE1-OE1 2.68Å; H303-E307 PolarHBondContact CE1-OE1 3.49Å; H303-E307 IonicContact CE1-OE2 3.29Å; H303-E307 PolarHBondContact CE1-OE2 2.99Å; H303-E307 IonicContact CG-OE2 2.64Å; H303-E307 IonicContact ND1-OE1 3.21Å; H303-E307 PolarHBondContact ND1-OE1 2.99Å; H303-E307 IonicContact ND1-OE2 2.7Å; H303-E307 PolarHBondContact ND1-OE2 2.82Å; H303-E307 WeakPolarHBondContact O-CB 3.28Å; H303-E307 WeakPolarHBondContact O-CG 3.47Å; H303-E307 PolarHBondContact O-N 3.37Å
304	A	88.6	Confident	90.9	Very high	44 Å²	44	49.3 Å²	49.3	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-59.8	-27.7	-173	0	0	0	0	0	114.5	T300 V301 F471	T300-A304 WeakPolarHBondContact O-CB 3.29Å; T300-A304 PolarHBondContact O-N 3.07Å; V301-A304 PolarHBondContact O-N 3.46Å; A304-F471 HydrophobicContact CB-CD2 4.39Å; A304-F471 HydrophobicContact CB-CE2 4.2Å
305	V	90.6	Very high	91.4	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-87.5	-40.2	175.8	179.4	0	0	0	0	111.9	V301 H303 N308 D311 I467 L470 F471	V301-V305 WeakPolarHBondContact O-CG2 3.27Å; V301-V305 PolarHBondContact O-N 3.35Å; H303-V305 PolarHBondContact O-N 3.05Å; H303-V305 VanDerWaalsContact O-N 3.09Å; V305-N308 PolarHBondContact O-N 2.93Å; V305-D311 HydrophobicContact CG1-CB 3.89Å; V305-I467 HydrophobicContact CB-CG2 3.86Å; V305-I467 HydrophobicContact CG1-CG2 4.06Å; V305-I467 HydrophobicContact CG2-CG2 3.98Å; V305-L470 HydrophobicContact CG1-CB 3.93Å; V305-L470 HydrophobicContact CG1-CD1 4.01Å; V305-F471 HydrophobicContact CG2-CB 3.77Å; V305-F471 HydrophobicContact CG2-CD2 4.15Å; V305-F471 HydrophobicContact CG2-CG 4.48Å
306	L	93	Very high	91.7	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-85.2	-9.8	-175.2	-61.4	174.8	0	0	0	114.2	L302 H303 R312 F315 M320 V323 I467	L302-L306 HydrophobicContact CD2-CD1 4.33Å; L302-L306 VanDerWaalsContact O-CB 3.26Å; L302-L306 WeakPolarHBondContact O-CB 3.18Å; L302-L306 VanDerWaalsContact O-CG 3.24Å; L302-L306 WeakPolarHBondContact O-CG 3.43Å; L302-L306 PolarHBondContact O-N 2.93Å; L302-L306 VanDerWaalsContact O-N 3.14Å; H303-L306 PolarHBondContact O-N 3.38Å; H303-L306 VanDerWaalsContact O-N 3.09Å; L306-R312 WeakPolarHBondContact O-CD 3.46Å; L306-R312 PolarHBondContact O-NH1 3.11Å; L306-F315 HydrophobicContact CD2-CD2 4.07Å; L306-F315 HydrophobicContact CD2-CE2 4.33Å; L306-M320 HydrophobicContact CD2-SD 4.18Å; L306-V323 HydrophobicContact CD1-CB 4.49Å; L306-V323 HydrophobicContact CD1-CG1 3.72Å; L306-V323 HydrophobicContact CD1-CG2 4.04Å; L306-I467 HydrophobicContact CD1-CD1 4.22Å; L306-I467 HydrophobicContact CD2-CD1 4.3Å; L306-I467 HydrophobicContact CG-CD1 4.43Å
307	E	91.2	Very high	92	Very high	128 Å²	128	54.8 Å²	54.8	60%	0.598	26%	0.262	S	S	*	.	S	Bend	trans	-75.7	-33.6	162.3	-76.1	-179.7	119	0	0	112.5	H303 E309	H303-E307 IonicContact CE1-OE1 2.68Å; H303-E307 PolarHBondContact CE1-OE1 3.49Å; H303-E307 IonicContact CE1-OE2 3.29Å; H303-E307 PolarHBondContact CE1-OE2 2.99Å; H303-E307 IonicContact CG-OE2 2.64Å; H303-E307 IonicContact ND1-OE1 3.21Å; H303-E307 PolarHBondContact ND1-OE1 2.99Å; H303-E307 IonicContact ND1-OE2 2.7Å; H303-E307 PolarHBondContact ND1-OE2 2.82Å; H303-E307 WeakPolarHBondContact O-CB 3.28Å; H303-E307 WeakPolarHBondContact O-CG 3.47Å; H303-E307 PolarHBondContact O-N 3.37Å; E307-E309 PolarHBondContact O-N 3.31Å; E307-E309 VanDerWaalsContact O-N 3.16Å
308	N	88.9	Confident	92.3	Very high	46 Å²	46	61.3 Å²	61.3	25%	0.246	29%	0.293	C	S	.	.	S	Bend	trans	-70.9	114.1	177.7	-175.7	-88.6	0	0	0	109.3	V305 D310 D311 R312 R510	V305-N308 PolarHBondContact O-N 2.93Å; N308-D310 VanDerWaalsContact C-N 3.26Å; N308-D310 PolarHBondContact O-N 3.48Å; N308-D310 PolarHBondContact OD1-N 3.48Å; N308-D311 HydrophobicContact CB-CB 4.14Å; N308-D311 PolarHBondContact O-N 2.7Å; N308-D311 PolarHBondContact OD1-N 2.75Å; N308-R312 VanDerWaalsContact O-CB 3.26Å; N308-R312 WeakPolarHBondContact O-CB 3.46Å; N308-R312 PolarHBondContact O-N 2.85Å; N308-R510 PolarHBondContact OD1-NH1 3.25Å
309	E	89.5	Confident	92.5	Very high	132 Å²	132	61.6 Å²	61.6	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-57.9	-37.4	-173.1	-71.6	-162	-174.2	0	0	114	E307 K313	E307-E309 PolarHBondContact O-N 3.31Å; E307-E309 VanDerWaalsContact O-N 3.16Å; E309-K313 WeakPolarHBondContact O-CD 3.47Å; E309-K313 WeakPolarHBondContact O-CE 3.43Å; E309-K313 WeakPolarHBondContact O-CG 3.25Å; E309-K313 PolarHBondContact O-N 2.7Å; E309-K313 IonicContact OE2-NZ 2.73Å; E309-K313 PolarHBondContact OE2-NZ 3.39Å
310	D	89.5	Confident	92.7	Very high	56 Å²	56	58 Å²	58	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-78.1	-39.1	-175.3	-81.7	-17.1	0	0	0	112	N308 R312 K313 K513	N308-D310 VanDerWaalsContact C-N 3.26Å; N308-D310 PolarHBondContact O-N 3.48Å; N308-D310 PolarHBondContact OD1-N 3.48Å; D310-R312 VanDerWaalsContact C-N 3.33Å; D310-K313 PolarHBondContact O-N 2.82Å; D310-K313 IonicContact OD1-NZ 2.69Å; D310-K313 PolarHBondContact OD1-NZ 3.18Å; D310-K513 IonicContact OD1-NZ 3.16Å; D310-K513 PolarHBondContact OD1-NZ 2.9Å; D310-K513 WeakPolarHBondContact OD2-CE 3.42Å; D310-K513 IonicContact OD2-NZ 2.69Å; D310-K513 PolarHBondContact OD2-NZ 3.46Å
311	D	92.4	Very high	93.1	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.08	29%	0.289	C	S	.	.	H	α-helix	trans	-63	-41	169.3	-68.9	-14.5	0	0	0	110.8	V305 N308 K313 L314 F315 L470 R510	V305-D311 HydrophobicContact CG1-CB 3.89Å; N308-D311 HydrophobicContact CB-CB 4.14Å; N308-D311 PolarHBondContact O-N 2.7Å; N308-D311 PolarHBondContact OD1-N 2.75Å; D311-K313 VanDerWaalsContact C-N 3.31Å; D311-K313 PolarHBondContact O-N 3.22Å; D311-L314 VanDerWaalsContact O-CB 3.32Å; D311-L314 WeakPolarHBondContact O-CB 3.39Å; D311-L314 PolarHBondContact O-N 2.95Å; D311-L314 VanDerWaalsContact O-N 3.1Å; D311-F315 VanDerWaalsContact O-CD2 3.32Å; D311-F315 WeakPolarHBondContact O-CD2 3.42Å; D311-F315 WeakPolarHBondContact O-CE2 3.1Å; D311-L470 HydrophobicContact CB-CD1 4.09Å; D311-R510 IonicContact OD1-NH1 2.7Å; D311-R510 PolarHBondContact OD1-NH1 3.08Å; D311-R510 IonicContact OD2-CZ 2.72Å; D311-R510 IonicContact OD2-NH1 3.46Å; D311-R510 PolarHBondContact OD2-NH1 2.89Å; D311-R510 IonicContact OD2-NH2 3.48Å; D311-R510 PolarHBondContact OD2-NH2 3.45Å
312	R	94.3	Very high	93.4	Very high	115 Å²	115	59.4 Å²	59.4	43%	0.434	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-37.2	177	-170.8	-169.2	-177.9	94.1	1.5	112.5	L306 N308 D310 L314 F315	L306-R312 WeakPolarHBondContact O-CD 3.46Å; L306-R312 PolarHBondContact O-NH1 3.11Å; N308-R312 VanDerWaalsContact O-CB 3.26Å; N308-R312 WeakPolarHBondContact O-CB 3.46Å; N308-R312 PolarHBondContact O-N 2.85Å; D310-R312 VanDerWaalsContact C-N 3.33Å; R312-L314 PolarHBondContact O-N 3.37Å; R312-L314 VanDerWaalsContact O-N 3.17Å; R312-F315 PolarHBondContact O-N 2.8Å; R312-F315 VanDerWaalsContact O-N 3.17Å
313	K	95.1	Very high	93.6	Very high	119 Å²	119	58.9 Å²	58.9	52%	0.517	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.5	177.3	-71.9	156.7	-156	161.3	0	113.3	E309 D310 D311 F315	E309-K313 WeakPolarHBondContact O-CD 3.47Å; E309-K313 WeakPolarHBondContact O-CE 3.43Å; E309-K313 WeakPolarHBondContact O-CG 3.25Å; E309-K313 PolarHBondContact O-N 2.7Å; E309-K313 IonicContact OE2-NZ 2.73Å; E309-K313 PolarHBondContact OE2-NZ 3.39Å; D310-K313 PolarHBondContact O-N 2.82Å; D310-K313 IonicContact OD1-NZ 2.69Å; D310-K313 PolarHBondContact OD1-NZ 3.18Å; D311-K313 VanDerWaalsContact C-N 3.31Å; D311-K313 PolarHBondContact O-N 3.22Å; K313-F315 VanDerWaalsContact C-N 3.3Å
314	L	96.7	Very high	93.8	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.052	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	0.9	174	-52.4	175.9	0	0	0	113.6	D311 R312 L470 F515 R518 L521	D311-L314 VanDerWaalsContact O-CB 3.32Å; D311-L314 WeakPolarHBondContact O-CB 3.39Å; D311-L314 PolarHBondContact O-N 2.95Å; D311-L314 VanDerWaalsContact O-N 3.1Å; R312-L314 PolarHBondContact O-N 3.37Å; R312-L314 VanDerWaalsContact O-N 3.17Å; L314-L470 HydrophobicContact CD1-CD1 4.07Å; L314-L470 HydrophobicContact CD1-CD2 3.92Å; L314-F515 HydrophobicContact CD1-CB 4.04Å; L314-F515 HydrophobicContact CD1-CD2 3.94Å; L314-F515 HydrophobicContact CD1-CG 4.38Å; L314-F515 HydrophobicContact CD2-CB 4.01Å; L314-R518 WeakPolarHBondContact O-CA 3.45Å; L314-R518 VanDerWaalsContact O-CB 3.28Å; L314-R518 WeakPolarHBondContact O-CB 3.48Å; L314-R518 WeakPolarHBondContact O-CG 3.37Å; L314-L521 HydrophobicContact CB-CD2 3.97Å; L314-L521 HydrophobicContact CD1-CD2 4.04Å
315	F	97.2	Very high	94.2	Very high	17 Å²	17	56.1 Å²	56.1	8%	0.075	27%	0.274	C	S	.	.	S	Bend	trans	-118.6	130.9	179.4	-61.7	-82.7	0	0	0	111.1	L306 D311 R312 K313 D319 M320 V463 R466 I467 L470 L521	L306-F315 HydrophobicContact CD2-CD2 4.07Å; L306-F315 HydrophobicContact CD2-CE2 4.33Å; D311-F315 VanDerWaalsContact O-CD2 3.32Å; D311-F315 WeakPolarHBondContact O-CD2 3.42Å; D311-F315 WeakPolarHBondContact O-CE2 3.1Å; R312-F315 PolarHBondContact O-N 2.8Å; R312-F315 VanDerWaalsContact O-N 3.17Å; K313-F315 VanDerWaalsContact C-N 3.3Å; F315-D319 WeakPolarHBondContact CA-OD2 3.38Å; F315-D319 HydrophobicContact CB-CB 3.96Å; F315-D319 HydrophobicContact CD1-CB 3.94Å; F315-D319 HydrophobicContact CG-CB 4.46Å; F315-M320 HydrophobicContact CB-CG 4.42Å; F315-M320 HydrophobicContact CB-SD 4.33Å; F315-V463 HydrophobicContact CD1-CG1 4.17Å; F315-V463 HydrophobicContact CE1-CG1 4.27Å; F315-R466 HydrophobicContact CE1-CB 3.92Å; F315-R466 HydrophobicContact CZ-CB 4.14Å; F315-I467 HydrophobicContact CE1-CD1 4.37Å; F315-I467 HydrophobicContact CE1-CG1 3.69Å; F315-I467 HydrophobicContact CE2-CG1 4.06Å; F315-I467 HydrophobicContact CZ-CB 4.41Å; F315-I467 HydrophobicContact CZ-CD1 4.38Å; F315-I467 HydrophobicContact CZ-CG1 3.37Å; F315-L470 HydrophobicContact CE2-CD1 3.59Å; F315-L470 HydrophobicContact CZ-CD1 3.73Å; F315-L521 HydrophobicContact CZ-CD2 4.49Å
316	N	96	Very high	94.5	Very high	48 Å²	48	56.1 Å²	56.1	26%	0.257	27%	0.274	S	S	.	.			trans	-86.3	178.2	178.4	79.2	-2.7	0	0	0	111.9	E318 D319 M320	N316-E318 PolarHBondContact ND2-OE2 3.33Å; N316-E318 PolarHBondContact O-N 3.31Å; N316-E318 WeakPolarHBondContact OD1-CA 3.4Å; N316-E318 VanDerWaalsContact OD1-CB 3.31Å; N316-E318 WeakPolarHBondContact OD1-CB 3.43Å; N316-E318 PolarHBondContact OD1-N 2.9Å; N316-D319 PolarHBondContact N-OD2 3.34Å; N316-D319 PolarHBondContact O-N 3.04Å; N316-D319 VanDerWaalsContact OD1-CG 3.31Å; N316-D319 PolarHBondContact OD1-N 2.77Å; N316-D319 PolarHBondContact OD1-OD2 3.23Å; N316-D319 VanDerWaalsContact OD1-OD2 3.12Å; N316-M320 WeakPolarHBondContact O-CG 3.44Å; N316-M320 PolarHBondContact O-N 3.04Å
317	Q	96.4	Very high	94.6	Very high	137 Å²	137	60.8 Å²	60.8	64%	0.64	30%	0.295	S	S	*	.	H	α-helix	trans	-61.4	-27.1	179	-172.1	57.4	47.8	0	0	113.3	S321	Q317-S321 WeakPolarHBondContact O-CB 3.36Å; Q317-S321 PolarHBondContact O-N 3.16Å; Q317-S321 PolarHBondContact O-OG 3.32Å
318	E	94.8	Very high	94.8	Very high	140 Å²	140	58.9 Å²	58.9	65%	0.654	30%	0.296	S	S	*	.	H	α-helix	trans	-74.6	-44.7	176.9	-49.8	170.6	131.6	0	0	110.9	N316 M320 S321 A322	N316-E318 PolarHBondContact ND2-OE2 3.33Å; N316-E318 PolarHBondContact O-N 3.31Å; N316-E318 WeakPolarHBondContact OD1-CA 3.4Å; N316-E318 VanDerWaalsContact OD1-CB 3.31Å; N316-E318 WeakPolarHBondContact OD1-CB 3.43Å; N316-E318 PolarHBondContact OD1-N 2.9Å; E318-M320 VanDerWaalsContact C-N 3.34Å; E318-S321 WeakPolarHBondContact O-CB 3.26Å; E318-S321 PolarHBondContact O-N 2.99Å; E318-A322 PolarHBondContact O-N 3.27Å
319	D	96.3	Very high	95.2	Very high	6 Å²	6	57 Å²	57	3%	0.032	29%	0.286	C	S	.	.	H	α-helix	trans	-60	-46.4	173.6	-58	-52.6	0	0	0	110.2	F315 N316 S321 A322 V323 V463 R466 R518	F315-D319 WeakPolarHBondContact CA-OD2 3.38Å; F315-D319 HydrophobicContact CB-CB 3.96Å; F315-D319 HydrophobicContact CD1-CB 3.94Å; F315-D319 HydrophobicContact CG-CB 4.46Å; N316-D319 PolarHBondContact N-OD2 3.34Å; N316-D319 PolarHBondContact O-N 3.04Å; N316-D319 VanDerWaalsContact OD1-CG 3.31Å; N316-D319 PolarHBondContact OD1-N 2.77Å; N316-D319 PolarHBondContact OD1-OD2 3.23Å; N316-D319 VanDerWaalsContact OD1-OD2 3.12Å; D319-S321 VanDerWaalsContact C-N 3.28Å; D319-S321 PolarHBondContact O-N 3.09Å; D319-A322 WeakPolarHBondContact O-CB 3.48Å; D319-A322 PolarHBondContact O-N 3.14Å; D319-V323 PolarHBondContact O-N 3.49Å; D319-V323 VanDerWaalsContact O-N 3.14Å; D319-V463 HydrophobicContact CB-CG1 3.96Å; D319-V463 HydrophobicContact CB-CG2 3.95Å; D319-R466 IonicContact OD1-NH2 3.16Å; D319-R466 PolarHBondContact OD1-NH2 3.09Å; D319-R466 VanDerWaalsContact OD1-NH2 3.08Å; D319-R518 IonicContact OD1-CZ 3.11Å; D319-R518 IonicContact OD1-NE 3.36Å; D319-R518 IonicContact OD1-NH2 2.84Å; D319-R518 PolarHBondContact OD1-NH2 2.9Å; D319-R518 IonicContact OD2-CZ 3.6Å; D319-R518 IonicContact OD2-NE 3.4Å; D319-R518 PolarHBondContact OD2-NE 2.98Å; D319-R518 IonicContact OD2-NH2 3.83Å; D319-R518 PolarHBondContact OD2-NH2 2.95Å
320	M	96.6	Very high	95.4	Very high	14 Å²	14	53 Å²	53	7%	0.069	27%	0.272	C	S	.	.	H	α-helix	trans	-64.8	-30.6	176.6	-71.6	-56.8	-53.4	0	0	112.5	L306 F315 N316 E318 A322 V323 H324	L306-M320 HydrophobicContact CD2-SD 4.18Å; F315-M320 HydrophobicContact CB-CG 4.42Å; F315-M320 HydrophobicContact CB-SD 4.33Å; N316-M320 WeakPolarHBondContact O-CG 3.44Å; N316-M320 PolarHBondContact O-N 3.04Å; E318-M320 VanDerWaalsContact C-N 3.34Å; M320-A322 VanDerWaalsContact C-N 3.28Å; M320-A322 PolarHBondContact O-N 3.25Å; M320-V323 HydrophobicContact CE-CB 4.34Å; M320-V323 HydrophobicContact CE-CG1 4.45Å; M320-V323 WeakPolarHBondContact O-CB 3.46Å; M320-V323 PolarHBondContact O-N 2.93Å; M320-V323 VanDerWaalsContact O-N 3.14Å; M320-V323 HydrophobicContact SD-CG2 4.39Å; M320-H324 PolarHBondContact O-CD2 2.89Å; M320-H324 PolarHBondContact O-N 3.14Å
321	S	95.8	Very high	95.6	Very high	64 Å²	64	53.3 Å²	53.3	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-31.2	172.1	-60.5	0	0	0	0	112	Q317 E318 D319 G325	Q317-S321 WeakPolarHBondContact O-CB 3.36Å; Q317-S321 PolarHBondContact O-N 3.16Å; Q317-S321 PolarHBondContact O-OG 3.32Å; E318-S321 WeakPolarHBondContact O-CB 3.26Å; E318-S321 PolarHBondContact O-N 2.99Å; D319-S321 VanDerWaalsContact C-N 3.28Å; D319-S321 PolarHBondContact O-N 3.09Å; S321-G325 PolarHBondContact O-N 3.06Å
322	A	95.8	Very high	95.7	Very high	14 Å²	14	55.2 Å²	55.2	12%	0.116	29%	0.285	C	S	.	.	H	α-helix	trans	-71.4	-33.4	169.9	0	0	0	0	0	112.7	E318 D319 M320 F326 F374 P460 V463	E318-A322 PolarHBondContact O-N 3.27Å; D319-A322 WeakPolarHBondContact O-CB 3.48Å; D319-A322 PolarHBondContact O-N 3.14Å; M320-A322 VanDerWaalsContact C-N 3.28Å; M320-A322 PolarHBondContact O-N 3.25Å; A322-F326 PolarHBondContact O-N 2.93Å; A322-F326 VanDerWaalsContact O-N 3.13Å; A322-F374 WeakPolarHBondContact O-CZ 3.44Å; A322-P460 HydrophobicContact CB-CB 4.18Å; A322-P460 HydrophobicContact CB-CG 4.42Å; A322-V463 HydrophobicContact CB-CG2 4.22Å
323	V	96.1	Very high	95.8	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-65.9	-49.2	172.6	178.4	0	0	0	0	110.8	L306 D319 M320 F326 Q327 V463 I467	L306-V323 HydrophobicContact CD1-CB 4.49Å; L306-V323 HydrophobicContact CD1-CG1 3.72Å; L306-V323 HydrophobicContact CD1-CG2 4.04Å; D319-V323 PolarHBondContact O-N 3.49Å; D319-V323 VanDerWaalsContact O-N 3.14Å; M320-V323 HydrophobicContact CE-CB 4.34Å; M320-V323 HydrophobicContact CE-CG1 4.45Å; M320-V323 WeakPolarHBondContact O-CB 3.46Å; M320-V323 PolarHBondContact O-N 2.93Å; M320-V323 VanDerWaalsContact O-N 3.14Å; M320-V323 HydrophobicContact SD-CG2 4.39Å; V323-F326 PolarHBondContact O-N 3.39Å; V323-Q327 WeakPolarHBondContact O-CG 3.36Å; V323-Q327 PolarHBondContact O-N 3.06Å; V323-V463 HydrophobicContact CG2-CG1 4.25Å; V323-I467 HydrophobicContact CG2-CD1 4.15Å
324	H	96	Very high	95.8	Very high	90 Å²	90	44.4 Å²	44.4	42%	0.417	24%	0.241	S	C	.	.	H	α-helix	trans	-66.2	-39.5	178.9	-65.5	-45.5	0	0	0	112.3	M320 F326 Q327 S328	M320-H324 PolarHBondContact O-CD2 2.89Å; M320-H324 PolarHBondContact O-N 3.14Å; H324-F326 VanDerWaalsContact C-N 3.26Å; H324-F326 PolarHBondContact O-N 3.05Å; H324-Q327 PolarHBondContact ND1-OE1 2.91Å; H324-Q327 WeakPolarHBondContact O-CB 3.44Å; H324-Q327 PolarHBondContact O-N 3.38Å; H324-Q327 VanDerWaalsContact O-N 3.11Å; H324-S328 PolarHBondContact O-N 3.17Å; H324-S328 PolarHBondContact O-OG 3.18Å
325	G	96.5	Very high	95.7	Very high	11 Å²	11	44.8 Å²	44.8	11%	0.113	24%	0.243	C	C	.	.	H	α-helix	trans	-55.8	-40.4	171.4	0	0	0	0	0	112.4	S321 S328 L329	S321-G325 PolarHBondContact O-N 3.06Å; G325-S328 WeakPolarHBondContact CA-OG 3.46Å; G325-S328 PolarHBondContact O-N 3.44Å; G325-S328 PolarHBondContact O-OG 3.02Å; G325-L329 PolarHBondContact O-N 3.25Å
326	F	96.9	Very high	95.6	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-36.9	176.9	173.5	-96.1	0	0	0	111.9	L295 F298 L302 A322 V323 H324 S328 L329 Q334 Y337 V338 F374 F464	L295-F326 HydrophobicContact CD1-CZ 3.94Å; F298-F326 AromaticContact CD1-CE1 3.92Å; F298-F326 HydrophobicContact CD1-CE1 3.92Å; F298-F326 AromaticContact CD1-CZ 3.71Å; F298-F326 HydrophobicContact CD1-CZ 3.71Å; F298-F326 HydrophobicContact CE1-CD1 4.37Å; F298-F326 AromaticContact CE1-CE1 3.79Å; F298-F326 HydrophobicContact CE1-CE1 3.79Å; F298-F326 HydrophobicContact CE1-CE2 4.06Å; F298-F326 AromaticContact CE1-CZ 3.61Å; F298-F326 HydrophobicContact CE1-CZ 3.61Å; L302-F326 HydrophobicContact CD1-CD1 3.95Å; L302-F326 HydrophobicContact CD1-CE1 3.88Å; A322-F326 PolarHBondContact O-N 2.93Å; A322-F326 VanDerWaalsContact O-N 3.13Å; V323-F326 PolarHBondContact O-N 3.39Å; H324-F326 VanDerWaalsContact C-N 3.26Å; H324-F326 PolarHBondContact O-N 3.05Å; F326-S328 VanDerWaalsContact C-N 3.31Å; F326-S328 PolarHBondContact O-N 2.86Å; F326-L329 HydrophobicContact CD2-CD1 3.9Å; F326-L329 WeakPolarHBondContact O-CB 3.24Å; F326-L329 PolarHBondContact O-N 2.72Å; F326-Q334 HydrophobicContact CD2-CG 4.36Å; F326-Q334 HydrophobicContact CE1-CG 4.47Å; F326-Q334 HydrophobicContact CE2-CB 3.96Å; F326-Q334 HydrophobicContact CE2-CG 3.94Å; F326-Q334 HydrophobicContact CZ-CB 3.95Å; F326-Q334 HydrophobicContact CZ-CG 3.99Å; F326-Q334 VanDerWaalsContact O-CD 3.3Å; F326-Q334 WeakPolarHBondContact O-CG 3.26Å; F326-Q334 PolarHBondContact O-NE2 2.77Å; F326-Y337 AromaticContact CD2-CD1 3.84Å; F326-Y337 HydrophobicContact CD2-CD1 3.84Å; F326-Y337 HydrophobicContact CD2-CE1 4.47Å; F326-Y337 HydrophobicContact CD2-CG 4.27Å; F326-Y337 AromaticContact CE2-CD1 3.72Å; F326-Y337 HydrophobicContact CE2-CD1 3.72Å; F326-Y337 HydrophobicContact CE2-CG 4.23Å; F326-V338 HydrophobicContact CE2-CG2 4.21Å; F326-V338 HydrophobicContact CZ-CG2 4.05Å; F326-F374 HydrophobicContact CB-CE1 4.05Å; F326-F374 HydrophobicContact CB-CZ 3.76Å; F326-F374 VanDerWaalsContact N-CZ 3.28Å; F326-F464 HydrophobicContact CB-CE1 4.38Å; F326-F464 HydrophobicContact CB-CZ 3.79Å; F326-F464 HydrophobicContact CG-CE1 4.47Å; F326-F464 HydrophobicContact CG-CZ 4.16Å
327	Q	94.9	Very high	95.6	Very high	113 Å²	113	41.7 Å²	41.7	53%	0.528	23%	0.227	S	C	.	.	H	α-helix	trans	-64.3	-34.9	174.8	-69.9	169.1	-26.2	0	0	112.2	V323 H324 Q334	V323-Q327 WeakPolarHBondContact O-CG 3.36Å; V323-Q327 PolarHBondContact O-N 3.06Å; H324-Q327 PolarHBondContact ND1-OE1 2.91Å; H324-Q327 WeakPolarHBondContact O-CB 3.44Å; H324-Q327 PolarHBondContact O-N 3.38Å; H324-Q327 VanDerWaalsContact O-N 3.11Å; Q327-Q334 PolarHBondContact O-NE2 3.04Å
328	S	95.5	Very high	95.4	Very high	87 Å²	87	35.1 Å²	35.1	61%	0.608	20%	0.196	S	C	*	.	H	α-helix	trans	-78.7	-11.3	178.1	56.3	0	0	0	0	115.7	H324 G325 F326	H324-S328 PolarHBondContact O-N 3.17Å; H324-S328 PolarHBondContact O-OG 3.18Å; G325-S328 WeakPolarHBondContact CA-OG 3.46Å; G325-S328 PolarHBondContact O-N 3.44Å; G325-S328 PolarHBondContact O-OG 3.02Å; F326-S328 VanDerWaalsContact C-N 3.31Å; F326-S328 PolarHBondContact O-N 2.86Å
329	L	96.2	Very high	95.2	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.042	17%	0.167	C	C	.	.	S	Bend	trans	-64.8	150.4	175.8	-74	170.4	0	0	0	112	G325 F326 A333 Q334 E368 L369 I372 F374	G325-L329 PolarHBondContact O-N 3.25Å; F326-L329 HydrophobicContact CD2-CD1 3.9Å; F326-L329 WeakPolarHBondContact O-CB 3.24Å; F326-L329 PolarHBondContact O-N 2.72Å; L329-A333 HydrophobicContact CB-CB 4.11Å; L329-A333 HydrophobicContact CD2-CB 3.93Å; L329-A333 HydrophobicContact CG-CB 4.41Å; L329-Q334 HydrophobicContact CB-CG 3.6Å; L329-Q334 HydrophobicContact CD1-CG 4.33Å; L329-Q334 PolarHBondContact O-NE2 3.37Å; L329-E368 HydrophobicContact CD2-CG 4.29Å; L329-E368 WeakPolarHBondContact CD2-OE1 3.44Å; L329-L369 HydrophobicContact CD1-CD2 3.52Å; L329-L369 HydrophobicContact CD2-CD2 3.85Å; L329-L369 HydrophobicContact CG-CD2 4.35Å; L329-I372 HydrophobicContact CD2-CD1 3.73Å; L329-F374 HydrophobicContact CD1-CD2 4.04Å; L329-F374 HydrophobicContact CD1-CE2 4.04Å; L329-F374 HydrophobicContact CD2-CD2 4.39Å; L329-F374 HydrophobicContact CG-CD2 4.49Å; L329-F374 HydrophobicContact CG-CE2 4.33Å
330	S	95.1	Very high	95	Very high	47 Å²	47	28.9 Å²	28.9	33%	0.329	17%	0.167	S	C	.	.			trans	-55.9	152.3	167	79.5	0	0	0	0	111.1	M332 A333 Q334 E368	S330-M332 PolarHBondContact O-N 3.01Å; S330-M332 VanDerWaalsContact O-N 3.14Å; S330-A333 PolarHBondContact O-N 3.14Å; S330-A333 VanDerWaalsContact O-N 3.11Å; S330-A333 WeakPolarHBondContact OG-CB 3.45Å; S330-A333 PolarHBondContact OG-N 3.38Å; S330-A333 VanDerWaalsContact OG-N 3.09Å; S330-Q334 WeakPolarHBondContact O-CG 3.46Å; S330-Q334 PolarHBondContact O-N 3.09Å; S330-E368 WeakPolarHBondContact CB-OE1 3.47Å; S330-E368 VanDerWaalsContact CB-OE2 3.28Å; S330-E368 WeakPolarHBondContact CB-OE2 3.36Å; S330-E368 PolarHBondContact N-OE1 3.44Å; S330-E368 PolarHBondContact OG-OE1 3.21Å; S330-E368 PolarHBondContact OG-OE2 3.05Å
331	V	93.8	Very high	94.8	Very high	62 Å²	62	28.2 Å²	28.2	38%	0.376	16%	0.163	S	C	.	.	H	α-helix	trans	-56.7	-34.2	179.1	177.3	0	0	0	0	111.3	L291 L295 Q334 K335	L291-V331 HydrophobicContact CD2-CG1 3.75Å; L295-V331 HydrophobicContact CD2-CG1 4.38Å; V331-Q334 PolarHBondContact O-N 2.85Å; V331-K335 WeakPolarHBondContact O-CG 3.41Å; V331-K335 PolarHBondContact O-N 3.34Å
332	M	94.4	Very high	94.3	Very high	56 Å²	56	25.5 Å²	25.5	28%	0.276	14%	0.144	S	C	.	.	H	α-helix	trans	-74.8	-37.6	179.6	-55.1	-45.7	163.5	0	0	112.2	S330 K335 L336 I358 V365	S330-M332 PolarHBondContact O-N 3.01Å; S330-M332 VanDerWaalsContact O-N 3.14Å; M332-K335 PolarHBondContact O-N 3.02Å; M332-K335 HydrophobicContact SD-CD 3.78Å; M332-K335 PolarHBondContact SD-NZ 3.06Å; M332-K335 VanDerWaalsContact SD-NZ 3.37Å; M332-L336 WeakPolarHBondContact O-CB 3.41Å; M332-L336 PolarHBondContact O-N 3.35Å; M332-I358 HydrophobicContact CB-CG2 3.81Å; M332-I358 WeakPolarHBondContact O-CG2 3.41Å; M332-I358 HydrophobicContact SD-CG2 4.43Å; M332-V365 HydrophobicContact CB-CG1 4.3Å; M332-V365 HydrophobicContact CB-CG2 4.4Å
333	A	95.3	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-38.1	171	0	0	0	0	0	112.3	L329 S330 L336 Y337 V365 E368 L369	L329-A333 HydrophobicContact CB-CB 4.11Å; L329-A333 HydrophobicContact CD2-CB 3.93Å; L329-A333 HydrophobicContact CG-CB 4.41Å; S330-A333 PolarHBondContact O-N 3.14Å; S330-A333 VanDerWaalsContact O-N 3.11Å; S330-A333 WeakPolarHBondContact OG-CB 3.45Å; S330-A333 PolarHBondContact OG-N 3.38Å; S330-A333 VanDerWaalsContact OG-N 3.09Å; A333-L336 PolarHBondContact O-N 3.25Å; A333-Y337 WeakPolarHBondContact O-CB 3.46Å; A333-Y337 PolarHBondContact O-N 2.78Å; A333-V365 HydrophobicContact CB-CG1 4.02Å; A333-E368 VanDerWaalsContact CB-CD 3.43Å; A333-E368 HydrophobicContact CB-CG 4.35Å; A333-E368 WeakPolarHBondContact CB-OE1 3.28Å; A333-E368 WeakPolarHBondContact CB-OE2 3.32Å; A333-L369 HydrophobicContact CB-CD2 4.01Å; A333-L369 HydrophobicContact CB-CG 3.94Å
334	Q	96.2	Very high	93.2	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-44.9	171.9	-66.6	-172.9	36	0	0	111.9	L295 R299 F326 Q327 L329 S330 V331 L336 Y337 V338	L295-Q334 HydrophobicContact CD1-CB 3.86Å; L295-Q334 HydrophobicContact CD2-CB 4.04Å; R299-Q334 VanDerWaalsContact NE-OE1 3.13Å; F326-Q334 HydrophobicContact CD2-CG 4.36Å; F326-Q334 HydrophobicContact CE1-CG 4.47Å; F326-Q334 HydrophobicContact CE2-CB 3.96Å; F326-Q334 HydrophobicContact CE2-CG 3.94Å; F326-Q334 HydrophobicContact CZ-CB 3.95Å; F326-Q334 HydrophobicContact CZ-CG 3.99Å; F326-Q334 VanDerWaalsContact O-CD 3.3Å; F326-Q334 WeakPolarHBondContact O-CG 3.26Å; F326-Q334 PolarHBondContact O-NE2 2.77Å; Q327-Q334 PolarHBondContact O-NE2 3.04Å; L329-Q334 HydrophobicContact CB-CG 3.6Å; L329-Q334 HydrophobicContact CD1-CG 4.33Å; L329-Q334 PolarHBondContact O-NE2 3.37Å; S330-Q334 WeakPolarHBondContact O-CG 3.46Å; S330-Q334 PolarHBondContact O-N 3.09Å; V331-Q334 PolarHBondContact O-N 2.85Å; Q334-L336 PolarHBondContact O-N 2.91Å; Q334-Y337 PolarHBondContact O-N 2.67Å; Q334-V338 WeakPolarHBondContact O-CG2 3.5Å; Q334-V338 PolarHBondContact O-N 2.87Å; Q334-V338 VanDerWaalsContact O-N 3.1Å
335	K	94.1	Very high	92.8	Very high	18 Å²	18	33.2 Å²	33.2	8%	0.078	17%	0.174	C	C	.	.	H	α-helix	trans	-55.4	-51.4	173.1	-76.1	-178.8	-172.2	174.6	0	110.5	P292 Y294 L295 V331 M332 Y337 V338 R339 E357 I358	P292-K335 HydrophobicContact CG-CD 4.18Å; P292-K335 HydrophobicContact CG-CG 4.06Å; Y294-K335 HydrophobicContact CE2-CB 4.19Å; Y294-K335 HydrophobicContact CE2-CG 4.42Å; L295-K335 HydrophobicContact CD2-CG 3.91Å; V331-K335 WeakPolarHBondContact O-CG 3.41Å; V331-K335 PolarHBondContact O-N 3.34Å; M332-K335 PolarHBondContact O-N 3.02Å; M332-K335 HydrophobicContact SD-CD 3.78Å; M332-K335 PolarHBondContact SD-NZ 3.06Å; M332-K335 VanDerWaalsContact SD-NZ 3.37Å; K335-Y337 PolarHBondContact O-N 3.2Å; K335-V338 PolarHBondContact O-N 3.07Å; K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 2.76Å; K335-E357 PolarHBondContact NZ-O 3.31Å; K335-I358 HydrophobicContact CB-CD1 3.76Å; K335-I358 HydrophobicContact CB-CG1 3.88Å; K335-I358 HydrophobicContact CB-CG2 4.19Å; K335-I358 HydrophobicContact CD-CB 4.45Å; K335-I358 HydrophobicContact CD-CG1 3.95Å; K335-I358 HydrophobicContact CD-CG2 4.42Å
336	L	95.1	Very high	92.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-41.2	-177	-177.1	58.7	0	0	0	111.6	M332 A333 Q334 V338 R339 L340 Y355 I358 L362 V365 A366 L369	M332-L336 WeakPolarHBondContact O-CB 3.41Å; M332-L336 PolarHBondContact O-N 3.35Å; A333-L336 PolarHBondContact O-N 3.25Å; Q334-L336 PolarHBondContact O-N 2.91Å; L336-V338 PolarHBondContact O-N 2.86Å; L336-R339 PolarHBondContact O-N 3.01Å; L336-L340 HydrophobicContact CD1-CD1 4.15Å; L336-L340 HydrophobicContact CD1-CG 4.08Å; L336-L340 HydrophobicContact CG-CD1 4.1Å; L336-L340 HydrophobicContact CG-CG 4.41Å; L336-L340 WeakPolarHBondContact O-CB 2.99Å; L336-L340 VanDerWaalsContact O-CG 3.28Å; L336-L340 WeakPolarHBondContact O-CG 3.3Å; L336-L340 PolarHBondContact O-N 2.77Å; L336-Y355 HydrophobicContact CD1-CD2 3.79Å; L336-Y355 HydrophobicContact CD1-CE2 4.06Å; L336-I358 HydrophobicContact CB-CD1 4.15Å; L336-I358 HydrophobicContact CB-CG2 4.46Å; L336-I358 HydrophobicContact CD1-CD1 4.38Å; L336-L362 HydrophobicContact CD1-CD2 4.49Å; L336-L362 HydrophobicContact CD2-CD2 4.5Å; L336-V365 HydrophobicContact CB-CG1 4.05Å; L336-V365 HydrophobicContact CD2-CB 4.02Å; L336-V365 HydrophobicContact CD2-CG1 3.72Å; L336-A366 HydrophobicContact CD2-CB 4.48Å; L336-L369 HydrophobicContact CB-CD1 4.14Å; L336-L369 HydrophobicContact CD2-CD1 3.99Å; L336-L369 HydrophobicContact CG-CD1 4.02Å
337	Y	95.4	Very high	92.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.4	-49.2	175.6	-175.6	-97	0	0	0	111.5	F298 F326 A333 Q334 K335 L340 F341 L369 F374 L456 F464	F298-Y337 HydrophobicContact CZ-CE1 4.41Å; F326-Y337 AromaticContact CD2-CD1 3.84Å; F326-Y337 HydrophobicContact CD2-CD1 3.84Å; F326-Y337 HydrophobicContact CD2-CE1 4.47Å; F326-Y337 HydrophobicContact CD2-CG 4.27Å; F326-Y337 AromaticContact CE2-CD1 3.72Å; F326-Y337 HydrophobicContact CE2-CD1 3.72Å; F326-Y337 HydrophobicContact CE2-CG 4.23Å; A333-Y337 WeakPolarHBondContact O-CB 3.46Å; A333-Y337 PolarHBondContact O-N 2.78Å; Q334-Y337 PolarHBondContact O-N 2.67Å; K335-Y337 PolarHBondContact O-N 3.2Å; Y337-L340 PolarHBondContact O-N 2.82Å; Y337-F341 HydrophobicContact CE1-CB 4.22Å; Y337-F341 HydrophobicContact CE1-CD2 4.11Å; Y337-F341 HydrophobicContact CE1-CG 4.4Å; Y337-F341 VanDerWaalsContact O-CB 3.26Å; Y337-F341 WeakPolarHBondContact O-CB 3.49Å; Y337-F341 PolarHBondContact O-N 2.82Å; Y337-L369 HydrophobicContact CD2-CD2 4.28Å; Y337-F374 HydrophobicContact CD2-CB 3.91Å; Y337-F374 AromaticContact CD2-CD1 3.88Å; Y337-F374 HydrophobicContact CD2-CD1 3.88Å; Y337-F374 HydrophobicContact CD2-CG 4.18Å; Y337-F374 HydrophobicContact CE2-CB 3.93Å; Y337-F374 AromaticContact CE2-CD1 3.49Å; Y337-F374 HydrophobicContact CE2-CD1 3.49Å; Y337-F374 VanDerWaalsContact CE2-CD1 3.49Å; Y337-F374 HydrophobicContact CE2-CE1 4.45Å; Y337-F374 HydrophobicContact CE2-CG 4.12Å; Y337-F374 AromaticContact CZ-CD1 3.94Å; Y337-L456 HydrophobicContact CD2-CD2 3.77Å; Y337-L456 HydrophobicContact CE2-CD2 3.47Å; Y337-L456 VanDerWaalsContact CE2-CD2 3.47Å; Y337-F464 AromaticContact CE1-CD2 3.81Å; Y337-F464 HydrophobicContact CE1-CD2 3.81Å; Y337-F464 AromaticContact CE1-CE2 3.85Å; Y337-F464 HydrophobicContact CE1-CE2 3.85Å; Y337-F464 AromaticContact CZ-CD2 3.92Å; Y337-F464 AromaticContact CZ-CE2 3.92Å; Y337-F464 VanDerWaalsContact OH-CD2 3.3Å; Y337-F464 WeakPolarHBondContact OH-CD2 3.46Å
338	V	93.3	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.3	-41.8	-179.4	179.9	0	0	0	0	111.4	Y294 L295 F298 F326 Q334 K335 L336 L340 F341 Q342	Y294-V338 HydrophobicContact CD2-CB 4.06Å; Y294-V338 HydrophobicContact CD2-CG1 3.82Å; L295-V338 HydrophobicContact CD1-CG2 4.06Å; F298-V338 HydrophobicContact CB-CG1 4.12Å; F298-V338 HydrophobicContact CB-CG2 4.06Å; F298-V338 HydrophobicContact CD1-CG2 3.52Å; F298-V338 HydrophobicContact CD2-CG1 4.32Å; F298-V338 HydrophobicContact CD2-CG2 4.26Å; F298-V338 HydrophobicContact CE1-CG2 3.93Å; F298-V338 HydrophobicContact CG-CG1 4.21Å; F298-V338 HydrophobicContact CG-CG2 3.7Å; F298-V338 HydrophobicContact CZ-CG2 4.45Å; F326-V338 HydrophobicContact CE2-CG2 4.21Å; F326-V338 HydrophobicContact CZ-CG2 4.05Å; Q334-V338 WeakPolarHBondContact O-CG2 3.5Å; Q334-V338 PolarHBondContact O-N 2.87Å; Q334-V338 VanDerWaalsContact O-N 3.1Å; K335-V338 PolarHBondContact O-N 3.07Å; L336-V338 PolarHBondContact O-N 2.86Å; V338-L340 VanDerWaalsContact C-N 3.26Å; V338-L340 PolarHBondContact O-N 3.18Å; V338-F341 PolarHBondContact O-N 2.88Å; V338-Q342 HydrophobicContact CG1-CG 4.48Å; V338-Q342 WeakPolarHBondContact O-CG 3.48Å; V338-Q342 PolarHBondContact O-N 2.97Å
339	R	91	Very high	92.2	Very high	8 Å²	8	31.4 Å²	31.4	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-36.4	173.3	-77.8	-58.1	-144.7	-153.6	5.4	112.9	D66 Y294 K335 L336 R343 Y355 E357 I358	D66-R339 IonicContact OD2-CZ 2.73Å; D66-R339 IonicContact OD2-NH1 3.65Å; D66-R339 PolarHBondContact OD2-NH1 3.14Å; D66-R339 IonicContact OD2-NH2 2.8Å; D66-R339 PolarHBondContact OD2-NH2 2.77Å; Y294-R339 HydrophobicContact CD2-CG 4.45Å; Y294-R339 HydrophobicContact CE2-CG 3.76Å; K335-R339 WeakPolarHBondContact O-CG 3.42Å; K335-R339 PolarHBondContact O-N 2.76Å; L336-R339 PolarHBondContact O-N 3.01Å; R339-R343 WeakPolarHBondContact O-CD 3.26Å; R339-R343 WeakPolarHBondContact O-CG 3.24Å; R339-Y355 HydrophobicContact CB-CD1 4.49Å; R339-Y355 HydrophobicContact CB-CE1 3.89Å; R339-Y355 HydrophobicContact CB-CE2 4.18Å; R339-Y355 HydrophobicContact CG-CD1 4.09Å; R339-Y355 HydrophobicContact CG-CE1 3.79Å; R339-E357 IonicContact CZ-OE1 3.82Å; R339-E357 IonicContact NE-OE1 3.6Å; R339-E357 PolarHBondContact NE-OE1 2.85Å; R339-E357 IonicContact NH2-OE1 2.78Å; R339-E357 PolarHBondContact NH2-OE1 2.82Å; R339-I358 HydrophobicContact CG-CD1 3.95Å
340	L	91.9	Very high	91.9	Very high	6 Å²	6	32 Å²	32	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-78.5	-39.2	175.3	-67.3	-179	0	0	0	112	L336 Y337 V338 Q342 R343 L348 L353 Y355 L375 L456	L336-L340 HydrophobicContact CD1-CD1 4.15Å; L336-L340 HydrophobicContact CD1-CG 4.08Å; L336-L340 HydrophobicContact CG-CD1 4.1Å; L336-L340 HydrophobicContact CG-CG 4.41Å; L336-L340 WeakPolarHBondContact O-CB 2.99Å; L336-L340 VanDerWaalsContact O-CG 3.28Å; L336-L340 WeakPolarHBondContact O-CG 3.3Å; L336-L340 PolarHBondContact O-N 2.77Å; Y337-L340 PolarHBondContact O-N 2.82Å; V338-L340 VanDerWaalsContact C-N 3.26Å; V338-L340 PolarHBondContact O-N 3.18Å; L340-Q342 PolarHBondContact O-N 2.97Å; L340-R343 WeakPolarHBondContact O-CB 3.34Å; L340-R343 PolarHBondContact O-N 3.04Å; L340-L348 HydrophobicContact CD2-CD1 3.63Å; L340-L353 HydrophobicContact CD2-CD1 4.41Å; L340-L353 HydrophobicContact CD2-CD2 4.01Å; L340-Y355 HydrophobicContact CD2-CE2 4.48Å; L340-L375 HydrophobicContact CD1-CD1 4.38Å; L340-L375 HydrophobicContact CD1-CD2 3.98Å; L340-L456 HydrophobicContact CB-CD1 4.38Å; L340-L456 HydrophobicContact CB-CD2 3.98Å; L340-L456 HydrophobicContact CB-CG 4.28Å
341	F	90.9	Very high	91.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-35.5	178.3	-177.6	-95.7	0	0	0	111.8	F298 Y337 V338 R343 L456 R461 F464 L468 G485	F298-F341 AromaticContact CE2-CD1 3.92Å; F298-F341 HydrophobicContact CE2-CD1 3.92Å; F298-F341 AromaticContact CE2-CE1 3.88Å; F298-F341 HydrophobicContact CE2-CE1 3.88Å; F298-F341 HydrophobicContact CE2-CZ 4.46Å; Y337-F341 HydrophobicContact CE1-CB 4.22Å; Y337-F341 HydrophobicContact CE1-CD2 4.11Å; Y337-F341 HydrophobicContact CE1-CG 4.4Å; Y337-F341 VanDerWaalsContact O-CB 3.26Å; Y337-F341 WeakPolarHBondContact O-CB 3.49Å; Y337-F341 PolarHBondContact O-N 2.82Å; V338-F341 PolarHBondContact O-N 2.88Å; F341-R343 PolarHBondContact O-N 2.99Å; F341-L456 HydrophobicContact CB-CD1 4.46Å; F341-R461 HydrophobicContact CD2-CG 4.02Å; F341-R461 HydrophobicContact CE2-CG 3.76Å; F341-R461 PolarHBondContact O-NH1 2.86Å; F341-F464 HydrophobicContact CD2-CB 4.48Å; F341-F464 HydrophobicContact CE2-CB 3.61Å; F341-F464 HydrophobicContact CZ-CB 3.64Å; F341-L468 HydrophobicContact CE1-CD1 4.15Å; F341-L468 HydrophobicContact CE1-CD2 4.21Å; F341-L468 HydrophobicContact CZ-CD1 4.31Å; F341-G485 WeakPolarHBondContact CD1-O 3.2Å; F341-G485 WeakPolarHBondContact CE1-O 3.42Å
342	Q	86.1	Confident	91.3	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.037	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-3	175	-73	-178.3	8.4	0	0	115.1	V338 L340 A484 Q487 L490	V338-Q342 HydrophobicContact CG1-CG 4.48Å; V338-Q342 WeakPolarHBondContact O-CG 3.48Å; V338-Q342 PolarHBondContact O-N 2.97Å; L340-Q342 PolarHBondContact O-N 2.97Å; Q342-A484 CarbonylContact C-O 3.51Å; Q342-A484 VanDerWaalsContact CA-O 3.28Å; Q342-A484 WeakPolarHBondContact CA-O 3.46Å; Q342-A484 WeakPolarHBondContact O-CA 3.39Å; Q342-Q487 HydrophobicContact CB-CG 3.71Å; Q342-Q487 HydrophobicContact CG-CG 3.73Å; Q342-L490 HydrophobicContact CG-CD1 4.27Å; Q342-L490 VanDerWaalsContact NE2-CD1 3.27Å
343	R	85.6	Confident	91	Very high	83 Å²	83	35.6 Å²	35.6	31%	0.313	17%	0.165	S	C	.	.	S	Bend	trans	-106.8	146.2	-179.2	-65.5	167.4	73.1	161.4	1.2	110.6	R339 L340 F341 L345 Y355 A483	R339-R343 WeakPolarHBondContact O-CD 3.26Å; R339-R343 WeakPolarHBondContact O-CG 3.24Å; L340-R343 WeakPolarHBondContact O-CB 3.34Å; L340-R343 PolarHBondContact O-N 3.04Å; F341-R343 PolarHBondContact O-N 2.99Å; R343-L345 PolarHBondContact O-N 3.4Å; R343-L345 VanDerWaalsContact O-N 3.13Å; R343-Y355 WeakPolarHBondContact CD-OH 3.23Å; R343-Y355 PolarHBondContact NH1-OH 3.28Å; R343-A483 CarbonylContact C-O 3.55Å
344	K	83	Confident	90.5	Very high	123 Å²	123	42.5 Å²	42.5	54%	0.535	20%	0.201	S	C	.	.			trans	-49.1	121.1	173.4	-177.4	156	-173.3	164.5	0	110.5	K346 E479 A483	K344-K346 WeakPolarHBondContact O-CG 3.03Å; K344-K346 PolarHBondContact O-N 2.78Å; K344-K346 VanDerWaalsContact O-N 3.09Å; K344-E479 IonicContact NZ-OE1 2.77Å; K344-E479 PolarHBondContact NZ-OE1 3.33Å; K344-A483 WeakPolarHBondContact CA-O 3.08Å; K344-A483 HydrophobicContact CB-CB 4Å; K344-A483 HydrophobicContact CD-CB 3.95Å; K344-A483 HydrophobicContact CG-CB 3.87Å; K344-A483 PolarHBondContact N-O 3.07Å
345	L	87.6	Confident	90.1	Very high	60 Å²	60	43.6 Å²	43.6	31%	0.314	21%	0.205	S	C	.	.	S	Bend	trans	-56.8	109.7	-174.7	178.5	64.8	0	0	0	111.6	R343 R455 L456 R458	R343-L345 PolarHBondContact O-N 3.4Å; R343-L345 VanDerWaalsContact O-N 3.13Å; L345-R455 HydrophobicContact CD1-CG 3.88Å; L345-L456 HydrophobicContact CD1-CB 3.84Å; L345-L456 HydrophobicContact CD1-CD1 4.48Å; L345-R458 HydrophobicContact CD2-CG 4.43Å
346	K	90.4	Very high	89.5	Confident	127 Å²	127	45.8 Å²	45.8	55%	0.552	23%	0.233	S	C	*	.			trans	-160.4	172.8	175.6	66.3	-178.5	-178.3	176.1	0	110.4	K344 L348	K344-K346 WeakPolarHBondContact O-CG 3.03Å; K344-K346 PolarHBondContact O-N 2.78Å; K344-K346 VanDerWaalsContact O-N 3.09Å; K346-L348 HydrophobicContact CG-CD2 4.19Å
347	W	94	Very high	89	Confident	10 Å²	10	47.2 Å²	47.2	4%	0.038	24%	0.24	C	C	.	.			trans	-69.7	144.8	168.4	-66.4	94.3	0	0	0	112.1	Q376 T377 D380 L381 E386 L390 V454 R455	W347-Q376 HydrophobicContact CH2-CB 3.78Å; W347-Q376 HydrophobicContact CZ3-CB 4.31Å; W347-T377 WeakPolarHBondContact CH2-O 3.46Å; W347-T377 WeakPolarHBondContact CZ3-O 3.49Å; W347-D380 HydrophobicContact CH2-CB 4.2Å; W347-L381 HydrophobicContact CD2-CB 4.47Å; W347-L381 HydrophobicContact CD2-CD1 4.14Å; W347-L381 HydrophobicContact CG-CD1 4.27Å; W347-L381 HydrophobicContact CH2-CB 3.93Å; W347-L381 HydrophobicContact CZ2-CB 3.85Å; W347-L381 HydrophobicContact CZ2-CD1 4.2Å; W347-L381 HydrophobicContact CZ3-CB 4.26Å; W347-E386 PolarHBondContact NE1-OE2 3.49Å; W347-L390 HydrophobicContact CB-CD1 3.85Å; W347-L390 HydrophobicContact CB-CD2 4.06Å; W347-L390 HydrophobicContact CB-CG 4.39Å; W347-L390 WeakPolarHBondContact O-CD1 3.31Å; W347-V454 WeakPolarHBondContact CA-O 3.33Å; W347-R455 HydrophobicContact CD2-CB 3.66Å; W347-R455 HydrophobicContact CE3-CB 3.67Å; W347-R455 HydrophobicContact CG-CB 4.18Å; W347-R455 HydrophobicContact CH2-CB 4.22Å; W347-R455 HydrophobicContact CZ2-CB 4.24Å; W347-R455 HydrophobicContact CZ3-CB 3.95Å
348	L	93.3	Very high	88.6	Confident	25 Å²	25	47.8 Å²	47.8	13%	0.131	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	132.4	180	-61.2	169.8	0	0	0	108.7	L340 K346 L353 C453 V454	L340-L348 HydrophobicContact CD2-CD1 3.63Å; K346-L348 HydrophobicContact CG-CD2 4.19Å; L348-L353 HydrophobicContact CB-CD2 4.08Å; L348-L353 HydrophobicContact CD1-CD2 3.99Å; L348-C453 CarbonylContact O-C 3.53Å; L348-C453 WeakPolarHBondContact O-CA 3.07Å; L348-C453 VanDerWaalsContact O-CB 3.31Å; L348-C453 WeakPolarHBondContact O-CB 3.35Å; L348-V454 PolarHBondContact N-O 3.2Å; L348-V454 PolarHBondContact O-N 2.91Å
349	Q	93.2	Very high	88.2	Confident	13 Å²	13	49.8 Å²	49.8	6%	0.061	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	130.1	172.8	-58.6	173	-87.4	0	0	108.2	N351 K352 L390 E395 A450	Q349-N351 VanDerWaalsContact C-N 3.28Å; Q349-N351 WeakPolarHBondContact CB-OD1 3.47Å; Q349-N351 PolarHBondContact O-N 2.96Å; Q349-K352 HydrophobicContact CB-CB 4.44Å; Q349-K352 HydrophobicContact CB-CD 4.27Å; Q349-K352 PolarHBondContact O-N 2.78Å; Q349-L390 HydrophobicContact CG-CD1 3.78Å; Q349-L390 HydrophobicContact CG-CD2 4.29Å; Q349-L390 HydrophobicContact CG-CG 3.91Å; Q349-E395 PolarHBondContact NE2-OE2 3.31Å; Q349-A450 WeakPolarHBondContact CG-O 3.41Å; Q349-A450 PolarHBondContact NE2-O 3.44Å
350	V	90.8	Very high	87.8	Confident	19 Å²	19	55.7 Å²	55.7	12%	0.115	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-62.4	-38.6	-172.8	178	0	0	0	0	110.9	K352 L353 S452 V454	V350-K352 PolarHBondContact O-N 3.45Å; V350-L353 WeakPolarHBondContact O-CB 3.19Å; V350-L353 PolarHBondContact O-N 3.49Å; V350-S452 PolarHBondContact N-O 2.84Å; V350-V454 HydrophobicContact CG2-CG1 3.93Å; V350-V454 HydrophobicContact CG2-CG2 4.07Å
351	N	87.5	Confident	87.5	Confident	124 Å²	124	59.3 Å²	59.3	66%	0.663	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-68.6	3.1	174.6	69.4	-4.9	0	0	0	115.4	Q349	Q349-N351 VanDerWaalsContact C-N 3.28Å; Q349-N351 WeakPolarHBondContact CB-OD1 3.47Å; Q349-N351 PolarHBondContact O-N 2.96Å
352	K	87.7	Confident	87.4	Confident	101 Å²	101	59.9 Å²	59.9	44%	0.439	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-124.8	15.5	173.8	-65.6	170	-167.5	166.4	0	111.3	Q349 V350 E395	Q349-K352 HydrophobicContact CB-CB 4.44Å; Q349-K352 HydrophobicContact CB-CD 4.27Å; Q349-K352 PolarHBondContact O-N 2.78Å; V350-K352 PolarHBondContact O-N 3.45Å; K352-E395 IonicContact NZ-OE1 3.55Å; K352-E395 PolarHBondContact NZ-OE1 2.97Å
353	L	88.5	Confident	87.6	Confident	17 Å²	17	60.7 Å²	60.7	9%	0.089	33%	0.332	C	S	.	.			trans	-88.8	132	158.6	-57.3	-179.3	0	0	0	107.6	L340 L348 V350 Y355 L362 V454	L340-L353 HydrophobicContact CD2-CD1 4.41Å; L340-L353 HydrophobicContact CD2-CD2 4.01Å; L348-L353 HydrophobicContact CB-CD2 4.08Å; L348-L353 HydrophobicContact CD1-CD2 3.99Å; V350-L353 WeakPolarHBondContact O-CB 3.19Å; V350-L353 PolarHBondContact O-N 3.49Å; L353-Y355 HydrophobicContact CB-CD2 4.36Å; L353-Y355 HydrophobicContact CD2-CE2 4.47Å; L353-L362 HydrophobicContact CB-CD1 3.6Å; L353-V454 HydrophobicContact CD1-CG2 4.49Å
354	D	85.9	Confident	87.8	Confident	144 Å²	144	59.7 Å²	59.7	77%	0.77	34%	0.338	S	S	*	.			trans	-132.6	107.3	179.7	-176.2	4.8	0	0	0	106.1
355	Y	87.8	Confident	88.4	Confident	29 Å²	29	54.3 Å²	54.3	11%	0.114	32%	0.315	C	S	.	.			trans	-150.5	62.8	-175.3	-67.9	-62.6	0	0	0	109.8	L336 R339 L340 R343 L353 E357 I358 C359 L362	L336-Y355 HydrophobicContact CD1-CD2 3.79Å; L336-Y355 HydrophobicContact CD1-CE2 4.06Å; R339-Y355 HydrophobicContact CB-CD1 4.49Å; R339-Y355 HydrophobicContact CB-CE1 3.89Å; R339-Y355 HydrophobicContact CB-CE2 4.18Å; R339-Y355 HydrophobicContact CG-CD1 4.09Å; R339-Y355 HydrophobicContact CG-CE1 3.79Å; L340-Y355 HydrophobicContact CD2-CE2 4.48Å; R343-Y355 WeakPolarHBondContact CD-OH 3.23Å; R343-Y355 PolarHBondContact NH1-OH 3.28Å; L353-Y355 HydrophobicContact CB-CD2 4.36Å; L353-Y355 HydrophobicContact CD2-CE2 4.47Å; Y355-E357 WeakPolarHBondContact CA-OE2 3.32Å; Y355-E357 WeakPolarHBondContact CD1-OE1 3.4Å; Y355-E357 PolarHBondContact O-N 3.31Å; Y355-E357 VanDerWaalsContact O-N 3.09Å; Y355-I358 HydrophobicContact CD1-CD1 4.48Å; Y355-I358 HydrophobicContact CG-CD1 4.05Å; Y355-I358 WeakPolarHBondContact O-CB 3.36Å; Y355-I358 PolarHBondContact O-N 2.83Å; Y355-C359 PolarHBondContact O-N 2.92Å; Y355-L362 HydrophobicContact CD2-CD1 3.98Å; Y355-L362 HydrophobicContact CG-CD1 4.46Å
356	G	81.6	Confident	88.7	Confident	64 Å²	64	51.7 Å²	51.7	66%	0.66	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.5	179.5	0	0	0	0	0	114.8	I358	G356-I358 PolarHBondContact O-N 2.95Å
357	E	82.9	Confident	88.8	Confident	30 Å²	30	51.4 Å²	51.4	14%	0.14	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.2	171.4	85.1	-73.8	-169.3	0	0	114	L67 K335 R339 Y355	L67-E357 HydrophobicContact CD1-CB 3.79Å; L67-E357 HydrophobicContact CD2-CB 4.2Å; L67-E357 HydrophobicContact CG-CB 4.14Å; K335-E357 PolarHBondContact NZ-O 3.31Å; R339-E357 IonicContact CZ-OE1 3.82Å; R339-E357 IonicContact NE-OE1 3.6Å; R339-E357 PolarHBondContact NE-OE1 2.85Å; R339-E357 IonicContact NH2-OE1 2.78Å; R339-E357 PolarHBondContact NH2-OE1 2.82Å; Y355-E357 WeakPolarHBondContact CA-OE2 3.32Å; Y355-E357 WeakPolarHBondContact CD1-OE1 3.4Å; Y355-E357 PolarHBondContact O-N 3.31Å; Y355-E357 VanDerWaalsContact O-N 3.09Å
358	I	86.7	Confident	88.9	Confident	12 Å²	12	53 Å²	53	6%	0.062	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-61.1	179.6	-53.6	-176.4	0	0	0	110	M332 K335 L336 R339 Y355 G356 L362	M332-I358 HydrophobicContact CB-CG2 3.81Å; M332-I358 WeakPolarHBondContact O-CG2 3.41Å; M332-I358 HydrophobicContact SD-CG2 4.43Å; K335-I358 HydrophobicContact CB-CD1 3.76Å; K335-I358 HydrophobicContact CB-CG1 3.88Å; K335-I358 HydrophobicContact CB-CG2 4.19Å; K335-I358 HydrophobicContact CD-CB 4.45Å; K335-I358 HydrophobicContact CD-CG1 3.95Å; K335-I358 HydrophobicContact CD-CG2 4.42Å; L336-I358 HydrophobicContact CB-CD1 4.15Å; L336-I358 HydrophobicContact CB-CG2 4.46Å; L336-I358 HydrophobicContact CD1-CD1 4.38Å; R339-I358 HydrophobicContact CG-CD1 3.95Å; Y355-I358 HydrophobicContact CD1-CD1 4.48Å; Y355-I358 HydrophobicContact CG-CD1 4.05Å; Y355-I358 WeakPolarHBondContact O-CB 3.36Å; Y355-I358 PolarHBondContact O-N 2.83Å; G356-I358 PolarHBondContact O-N 2.95Å; I358-L362 HydrophobicContact CB-CD2 4.17Å; I358-L362 HydrophobicContact CG2-CD2 4.2Å
359	C	86.2	Confident	89	Confident	43 Å²	43	51.9 Å²	51.9	29%	0.291	30%	0.304	S	S	.	.			trans	-163.8	152.7	178.3	-166	0	0	0	0	110.5	Y355 D361 L362 V365	Y355-C359 PolarHBondContact O-N 2.92Å; C359-D361 VanDerWaalsContact CB-O 3.31Å; C359-D361 WeakPolarHBondContact CB-O 3.44Å; C359-D361 PolarHBondContact SG-N 3.47Å; C359-D361 PolarHBondContact SG-O 2.84Å; C359-L362 HydrophobicContact CB-CD2 4.22Å; C359-V365 HydrophobicContact CB-CG2 4.1Å
360	S	82.6	Confident	89.1	Confident	132 Å²	132	52.5 Å²	52.5	92%	0.923	31%	0.312	S	S	*	.	S	Bend	trans	-73.9	-28.6	170.2	50.8	0	0	0	0	113.1
361	D	84.8	Confident	89.3	Confident	82 Å²	82	58.5 Å²	58.5	44%	0.439	34%	0.339	S	S	.	.			trans	-109.4	113.6	163.3	171.5	49.1	0	0	0	110.5	C359 G363 S364	C359-D361 VanDerWaalsContact CB-O 3.31Å; C359-D361 WeakPolarHBondContact CB-O 3.44Å; C359-D361 PolarHBondContact SG-N 3.47Å; C359-D361 PolarHBondContact SG-O 2.84Å; D361-G363 WeakPolarHBondContact OD1-CA 3.2Å; D361-G363 PolarHBondContact OD1-N 3.43Å; D361-S364 PolarHBondContact O-OG 2.75Å; D361-S364 WeakPolarHBondContact OD2-CB 3.47Å; D361-S364 PolarHBondContact OD2-N 3.1Å; D361-S364 PolarHBondContact OD2-OG 3.06Å
362	L	90	Very high	89.6	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-89.6	-5.3	173	-60.9	172	0	0	0	112.7	L336 L353 Y355 I358 C359 A366	L336-L362 HydrophobicContact CD1-CD2 4.49Å; L336-L362 HydrophobicContact CD2-CD2 4.5Å; L353-L362 HydrophobicContact CB-CD1 3.6Å; Y355-L362 HydrophobicContact CD2-CD1 3.98Å; Y355-L362 HydrophobicContact CG-CD1 4.46Å; I358-L362 HydrophobicContact CB-CD2 4.17Å; I358-L362 HydrophobicContact CG2-CD2 4.2Å; C359-L362 HydrophobicContact CB-CD2 4.22Å; L362-A366 WeakPolarHBondContact O-CB 3.46Å; L362-A366 PolarHBondContact O-N 3.28Å
363	G	89.5	Confident	90	Very high	25 Å²	25	53 Å²	53	26%	0.258	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-51.2	-179.8	0	0	0	0	0	112.4	D361 V365 A366 Q367	D361-G363 WeakPolarHBondContact OD1-CA 3.2Å; D361-G363 PolarHBondContact OD1-N 3.43Å; G363-V365 PolarHBondContact O-N 3.06Å; G363-A366 PolarHBondContact O-N 3.19Å; G363-Q367 WeakPolarHBondContact O-CB 3.15Å; G363-Q367 PolarHBondContact O-N 3.3Å
364	S	90.6	Very high	90.4	Very high	63 Å²	63	52.4 Å²	52.4	44%	0.441	32%	0.317	S	S	.	.	H	α-helix	trans	-56.4	-46.8	172.8	47.6	0	0	0	0	112.8	D361 A366 Q367 E368	D361-S364 PolarHBondContact O-OG 2.75Å; D361-S364 WeakPolarHBondContact OD2-CB 3.47Å; D361-S364 PolarHBondContact OD2-N 3.1Å; D361-S364 PolarHBondContact OD2-OG 3.06Å; S364-A366 PolarHBondContact O-N 3.39Å; S364-Q367 WeakPolarHBondContact O-CB 2.8Å; S364-Q367 PolarHBondContact O-N 2.89Å; S364-Q367 VanDerWaalsContact O-N 3.13Å; S364-E368 PolarHBondContact O-N 3.1Å
365	V	94.2	Very high	90.9	Very high	10 Å²	10	45.8 Å²	45.8	6%	0.061	28%	0.282	C	S	.	.	H	α-helix	trans	-65.4	-38	178.6	-170.7	0	0	0	0	112.1	M332 A333 L336 C359 G363 Q367 L369	M332-V365 HydrophobicContact CB-CG1 4.3Å; M332-V365 HydrophobicContact CB-CG2 4.4Å; A333-V365 HydrophobicContact CB-CG1 4.02Å; L336-V365 HydrophobicContact CB-CG1 4.05Å; L336-V365 HydrophobicContact CD2-CB 4.02Å; L336-V365 HydrophobicContact CD2-CG1 3.72Å; C359-V365 HydrophobicContact CB-CG2 4.1Å; G363-V365 PolarHBondContact O-N 3.06Å; V365-Q367 VanDerWaalsContact C-N 3.32Å; V365-L369 PolarHBondContact O-N 3.36Å
366	A	93.8	Very high	91.3	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-30	173.5	0	0	0	0	0	112.4	L336 L362 G363 S364 A370 L375	L336-A366 HydrophobicContact CD2-CB 4.48Å; L362-A366 WeakPolarHBondContact O-CB 3.46Å; L362-A366 PolarHBondContact O-N 3.28Å; G363-A366 PolarHBondContact O-N 3.19Å; S364-A366 PolarHBondContact O-N 3.39Å; A366-A370 WeakPolarHBondContact O-CB 3.43Å; A366-A370 PolarHBondContact O-N 2.71Å; A366-L375 HydrophobicContact CB-CD1 4.01Å
367	Q	93.4	Very high	92	Very high	120 Å²	120	45 Å²	45	56%	0.561	26%	0.264	S	S	*	.	H	α-helix	trans	-70.1	-40	175.3	-172.9	175.1	-1.3	0	0	112.1	G363 S364 V365 A370 Q371	G363-Q367 WeakPolarHBondContact O-CB 3.15Å; G363-Q367 PolarHBondContact O-N 3.3Å; S364-Q367 WeakPolarHBondContact O-CB 2.8Å; S364-Q367 PolarHBondContact O-N 2.89Å; S364-Q367 VanDerWaalsContact O-N 3.13Å; V365-Q367 VanDerWaalsContact C-N 3.32Å; Q367-A370 PolarHBondContact O-N 3.17Å; Q367-Q371 WeakPolarHBondContact O-CG 3.45Å; Q367-Q371 PolarHBondContact O-N 3.17Å
368	E	95.4	Very high	92.5	Very high	45 Å²	45	46.4 Å²	46.4	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-56.7	-51.2	171.6	-172.1	-164.4	147.6	0	0	110.9	L329 S330 A333 S364 A370 Q371 I372	L329-E368 HydrophobicContact CD2-CG 4.29Å; L329-E368 WeakPolarHBondContact CD2-OE1 3.44Å; S330-E368 WeakPolarHBondContact CB-OE1 3.47Å; S330-E368 VanDerWaalsContact CB-OE2 3.28Å; S330-E368 WeakPolarHBondContact CB-OE2 3.36Å; S330-E368 PolarHBondContact N-OE1 3.44Å; S330-E368 PolarHBondContact OG-OE1 3.21Å; S330-E368 PolarHBondContact OG-OE2 3.05Å; A333-E368 VanDerWaalsContact CB-CD 3.43Å; A333-E368 HydrophobicContact CB-CG 4.35Å; A333-E368 WeakPolarHBondContact CB-OE1 3.28Å; A333-E368 WeakPolarHBondContact CB-OE2 3.32Å; S364-E368 PolarHBondContact O-N 3.1Å; E368-A370 VanDerWaalsContact C-N 3.25Å; E368-A370 PolarHBondContact O-N 3.36Å; E368-Q371 PolarHBondContact O-N 3.06Å; E368-I372 PolarHBondContact O-N 3.38Å
369	L	96.4	Very high	92.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.8	-32	176.5	-73	171.4	0	0	0	113.2	L329 A333 L336 Y337 V365 G373 F374 L375	L329-L369 HydrophobicContact CD1-CD2 3.52Å; L329-L369 HydrophobicContact CD2-CD2 3.85Å; L329-L369 HydrophobicContact CG-CD2 4.35Å; A333-L369 HydrophobicContact CB-CD2 4.01Å; A333-L369 HydrophobicContact CB-CG 3.94Å; L336-L369 HydrophobicContact CB-CD1 4.14Å; L336-L369 HydrophobicContact CD2-CD1 3.99Å; L336-L369 HydrophobicContact CG-CD1 4.02Å; Y337-L369 HydrophobicContact CD2-CD2 4.28Å; V365-L369 PolarHBondContact O-N 3.36Å; L369-G373 PolarHBondContact O-N 3.45Å; L369-F374 HydrophobicContact CB-CB 4.35Å; L369-F374 HydrophobicContact CD2-CB 3.93Å; L369-F374 HydrophobicContact CD2-CG 4.37Å; L369-F374 WeakPolarHBondContact O-CA 3.31Å; L369-F374 WeakPolarHBondContact O-CB 3.18Å; L369-F374 PolarHBondContact O-N 2.9Å; L369-L375 HydrophobicContact CB-CB 4.31Å; L369-L375 HydrophobicContact CB-CD1 3.67Å; L369-L375 HydrophobicContact CB-CG 3.77Å; L369-L375 HydrophobicContact CD1-CD1 3.86Å; L369-L375 HydrophobicContact CD1-CG 4.31Å; L369-L375 HydrophobicContact CG-CD1 4.43Å; L369-L375 PolarHBondContact O-N 3.43Å; L369-L375 VanDerWaalsContact O-N 3.07Å
370	A	95.5	Very high	93.1	Very high	26 Å²	26	54.9 Å²	54.9	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-75.3	-38.7	176.1	0	0	0	0	0	112.5	A366 Q367 E368 I372 G373 L375 T377	A366-A370 WeakPolarHBondContact O-CB 3.43Å; A366-A370 PolarHBondContact O-N 2.71Å; Q367-A370 PolarHBondContact O-N 3.17Å; E368-A370 VanDerWaalsContact C-N 3.25Å; E368-A370 PolarHBondContact O-N 3.36Å; A370-I372 VanDerWaalsContact C-N 3.32Å; A370-I372 PolarHBondContact O-N 3.17Å; A370-G373 PolarHBondContact O-N 2.88Å; A370-G373 VanDerWaalsContact O-N 3.08Å; A370-L375 WeakPolarHBondContact CA-O 3.35Å; A370-L375 HydrophobicContact CB-CB 4.33Å; A370-T377 HydrophobicContact CB-CG2 3.71Å
371	Q	94.9	Very high	93.6	Very high	145 Å²	145	48.6 Å²	48.6	68%	0.678	26%	0.262	S	S	*	.	H	α-helix	trans	-61.4	-38.9	177.2	-75.8	170.1	-8.1	0	0	112.4	Q367 E368 G373	Q367-Q371 WeakPolarHBondContact O-CG 3.45Å; Q367-Q371 PolarHBondContact O-N 3.17Å; E368-Q371 PolarHBondContact O-N 3.06Å; Q371-G373 VanDerWaalsContact C-N 3.28Å
372	I	94.3	Very high	94	Very high	79 Å²	79	52.2 Å²	52.2	41%	0.405	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.5	178.8	-55.2	170.7	0	0	0	111	L329 E368 A370 F374	L329-I372 HydrophobicContact CD2-CD1 3.73Å; E368-I372 PolarHBondContact O-N 3.38Å; A370-I372 VanDerWaalsContact C-N 3.32Å; A370-I372 PolarHBondContact O-N 3.17Å; I372-F374 HydrophobicContact CB-CD2 4.15Å; I372-F374 HydrophobicContact CB-CE2 4.35Å; I372-F374 HydrophobicContact CG2-CD2 3.9Å; I372-F374 HydrophobicContact CG2-CE2 3.61Å
373	G	95.5	Very high	94.1	Very high	32 Å²	32	55.4 Å²	55.4	33%	0.33	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	12.2	171.2	0	0	0	0	0	115.8	L369 A370 Q371 S457	L369-G373 PolarHBondContact O-N 3.45Å; A370-G373 PolarHBondContact O-N 2.88Å; A370-G373 VanDerWaalsContact O-N 3.08Å; Q371-G373 VanDerWaalsContact C-N 3.28Å; G373-S457 WeakPolarHBondContact O-CB 3.28Å; G373-S457 PolarHBondContact O-OG 3.12Å
374	F	96.9	Very high	94.2	Very high	3 Å²	3	55.2 Å²	55.2	1%	0.013	29%	0.286	C	S	.	.	S	Bend	trans	-76.2	-26.1	172.7	-73.4	-81.6	0	0	0	113.6	A322 F326 L329 Y337 L369 I372 S457 P460 F464	A322-F374 WeakPolarHBondContact O-CZ 3.44Å; F326-F374 HydrophobicContact CB-CE1 4.05Å; F326-F374 HydrophobicContact CB-CZ 3.76Å; F326-F374 VanDerWaalsContact N-CZ 3.28Å; L329-F374 HydrophobicContact CD1-CD2 4.04Å; L329-F374 HydrophobicContact CD1-CE2 4.04Å; L329-F374 HydrophobicContact CD2-CD2 4.39Å; L329-F374 HydrophobicContact CG-CD2 4.49Å; L329-F374 HydrophobicContact CG-CE2 4.33Å; Y337-F374 HydrophobicContact CD2-CB 3.91Å; Y337-F374 AromaticContact CD2-CD1 3.88Å; Y337-F374 HydrophobicContact CD2-CD1 3.88Å; Y337-F374 HydrophobicContact CD2-CG 4.18Å; Y337-F374 HydrophobicContact CE2-CB 3.93Å; Y337-F374 AromaticContact CE2-CD1 3.49Å; Y337-F374 HydrophobicContact CE2-CD1 3.49Å; Y337-F374 VanDerWaalsContact CE2-CD1 3.49Å; Y337-F374 HydrophobicContact CE2-CE1 4.45Å; Y337-F374 HydrophobicContact CE2-CG 4.12Å; Y337-F374 AromaticContact CZ-CD1 3.94Å; L369-F374 HydrophobicContact CB-CB 4.35Å; L369-F374 HydrophobicContact CD2-CB 3.93Å; L369-F374 HydrophobicContact CD2-CG 4.37Å; L369-F374 WeakPolarHBondContact O-CA 3.31Å; L369-F374 WeakPolarHBondContact O-CB 3.18Å; L369-F374 PolarHBondContact O-N 2.9Å; I372-F374 HydrophobicContact CB-CD2 4.15Å; I372-F374 HydrophobicContact CB-CE2 4.35Å; I372-F374 HydrophobicContact CG2-CD2 3.9Å; I372-F374 HydrophobicContact CG2-CE2 3.61Å; F374-S457 PolarHBondContact O-N 2.7Å; F374-P460 HydrophobicContact CD1-CB 3.73Å; F374-P460 HydrophobicContact CD1-CG 4.3Å; F374-P460 HydrophobicContact CE1-CB 3.78Å; F374-P460 HydrophobicContact CE1-CG 4.43Å; F374-F464 AromaticContact CE1-CE2 3.92Å; F374-F464 HydrophobicContact CE1-CE2 3.92Å; F374-F464 HydrophobicContact CE1-CZ 4.18Å
375	L	96.9	Very high	94.2	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.4	172.2	-69.5	178.1	0	0	0	111.8	L340 A366 L369 A370 V454 R455 L456	L340-L375 HydrophobicContact CD1-CD1 4.38Å; L340-L375 HydrophobicContact CD1-CD2 3.98Å; A366-L375 HydrophobicContact CB-CD1 4.01Å; L369-L375 HydrophobicContact CB-CB 4.31Å; L369-L375 HydrophobicContact CB-CD1 3.67Å; L369-L375 HydrophobicContact CB-CG 3.77Å; L369-L375 HydrophobicContact CD1-CD1 3.86Å; L369-L375 HydrophobicContact CD1-CG 4.31Å; L369-L375 HydrophobicContact CG-CD1 4.43Å; L369-L375 PolarHBondContact O-N 3.43Å; L369-L375 VanDerWaalsContact O-N 3.07Å; A370-L375 WeakPolarHBondContact CA-O 3.35Å; A370-L375 HydrophobicContact CB-CB 4.33Å; L375-V454 HydrophobicContact CB-CB 4.45Å; L375-V454 HydrophobicContact CD1-CB 4.07Å; L375-V454 HydrophobicContact CD1-CG1 4.19Å; L375-V454 HydrophobicContact CD1-CG2 4.15Å; L375-V454 HydrophobicContact CD2-CB 4.3Å; L375-V454 HydrophobicContact CD2-CG2 4.48Å; L375-R455 CarbonylContact C-O 3.38Å; L375-R455 WeakPolarHBondContact CA-O 3.36Å; L375-L456 HydrophobicContact CD2-CD2 4Å; L375-L456 HydrophobicContact CD2-CG 4.45Å
376	Q	96.1	Very high	94.2	Very high	48 Å²	48	59 Å²	59	22%	0.224	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	150.7	157.7	-55.7	-169.3	-60.7	0	0	109.4	W347 D380 V454 R455	W347-Q376 HydrophobicContact CH2-CB 3.78Å; W347-Q376 HydrophobicContact CZ3-CB 4.31Å; Q376-D380 HydrophobicContact CB-CB 4.08Å; Q376-V454 WeakPolarHBondContact O-CA 3.19Å; Q376-V454 WeakPolarHBondContact O-CB 3.35Å; Q376-R455 PolarHBondContact N-O 2.86Å; Q376-R455 PolarHBondContact O-N 3.32Å; Q376-R455 VanDerWaalsContact O-N 3.07Å; Q376-R455 VanDerWaalsContact OE1-CZ 3.29Å
377	T	95.3	Very high	94.1	Very high	28 Å²	28	58.7 Å²	58.7	17%	0.172	30%	0.295	C	S	.	.			trans	-112.9	176.4	-174.4	64.3	0	0	0	0	111.8	W347 A370 K379 D380 C453	W347-T377 WeakPolarHBondContact CH2-O 3.46Å; W347-T377 WeakPolarHBondContact CZ3-O 3.49Å; A370-T377 HydrophobicContact CB-CG2 3.71Å; T377-K379 PolarHBondContact O-N 2.84Å; T377-K379 WeakPolarHBondContact OG1-CB 3.21Å; T377-K379 PolarHBondContact OG1-N 2.64Å; T377-D380 PolarHBondContact N-OD2 2.85Å; T377-D380 PolarHBondContact O-N 2.76Å; T377-D380 PolarHBondContact OG1-OD2 3.31Å; T377-C453 CarbonylContact C-O 3.56Å; T377-C453 VanDerWaalsContact C-O 3.3Å
378	E	92.9	Very high	94.1	Very high	60 Å²	60	53 Å²	53	28%	0.28	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.7	175.4	70.9	-66.6	136.4	0	0	113.3	K447 C453	E378-K447 WeakPolarHBondContact O-CE 3.28Å; E378-K447 PolarHBondContact O-NZ 3.37Å; E378-C453 VanDerWaalsContact CB-SG 3.54Å; E378-C453 PolarHBondContact N-O 2.84Å
379	K	92.3	Very high	93.9	Very high	157 Å²	157	54.5 Å²	54.5	68%	0.683	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-51.3	172.1	-60.9	171.2	-171.9	169.3	0	110.4	T377 L381 K447	T377-K379 PolarHBondContact O-N 2.84Å; T377-K379 WeakPolarHBondContact OG1-CB 3.21Å; T377-K379 PolarHBondContact OG1-N 2.64Å; K379-L381 PolarHBondContact O-N 2.65Å; K379-K447 PolarHBondContact O-NZ 2.9Å
380	D	93.7	Very high	93.7	Very high	77 Å²	77	55.4 Å²	55.4	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.5	-174.1	-38.7	-86	0	0	0	114.1	W347 Q376 T377 E382	W347-D380 HydrophobicContact CH2-CB 4.2Å; Q376-D380 HydrophobicContact CB-CB 4.08Å; T377-D380 PolarHBondContact N-OD2 2.85Å; T377-D380 PolarHBondContact O-N 2.76Å; T377-D380 PolarHBondContact OG1-OD2 3.31Å; D380-E382 PolarHBondContact O-N 3.22Å
381	L	93.2	Very high	93.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.			trans	-74.6	82.8	173.7	176	52.4	0	0	0	110.8	W347 K379 E386 A387 L390 K447	W347-L381 HydrophobicContact CD2-CB 4.47Å; W347-L381 HydrophobicContact CD2-CD1 4.14Å; W347-L381 HydrophobicContact CG-CD1 4.27Å; W347-L381 HydrophobicContact CH2-CB 3.93Å; W347-L381 HydrophobicContact CZ2-CB 3.85Å; W347-L381 HydrophobicContact CZ2-CD1 4.2Å; W347-L381 HydrophobicContact CZ3-CB 4.26Å; K379-L381 PolarHBondContact O-N 2.65Å; L381-E386 HydrophobicContact CD1-CB 4.03Å; L381-A387 HydrophobicContact CD1-CB 3.97Å; L381-A387 HydrophobicContact CD2-CB 4.09Å; L381-A387 HydrophobicContact CG-CB 4.09Å; L381-L390 HydrophobicContact CD2-CD2 4.03Å; L381-K447 HydrophobicContact CD2-CG 4.2Å; L381-K447 HydrophobicContact CG-CG 4.29Å; L381-K447 WeakPolarHBondContact O-CD 3.21Å; L381-K447 WeakPolarHBondContact O-CE 3.44Å; L381-K447 PolarHBondContact O-NZ 3.22Å
382	E	93.1	Very high	93.2	Very high	157 Å²	157	49.4 Å²	49.4	73%	0.734	25%	0.254	S	S	*	.			trans	-95.7	-28.4	179.2	-61.3	-163.6	148.4	0	0	114.2	D380 L443	D380-E382 PolarHBondContact O-N 3.22Å; E382-L443 WeakPolarHBondContact O-CD2 3.13Å
383	D	92.3	Very high	92.8	Very high	78 Å²	78	47.7 Å²	47.7	42%	0.417	25%	0.252	S	S	.	.			trans	-76.1	129.9	-178.5	-176.6	-91.1	0	0	0	112.4	M385 E386 A387	D383-M385 VanDerWaalsContact OD1-CA 3.31Å; D383-M385 WeakPolarHBondContact OD1-CA 3.4Å; D383-M385 VanDerWaalsContact OD1-CB 3.26Å; D383-M385 WeakPolarHBondContact OD1-CB 3.4Å; D383-M385 PolarHBondContact OD1-N 3.48Å; D383-E386 HydrophobicContact CB-CB 4.11Å; D383-E386 HydrophobicContact CB-CG 4.05Å; D383-E386 PolarHBondContact OD1-N 2.87Å; D383-A387 WeakPolarHBondContact O-CB 3.43Å; D383-A387 PolarHBondContact O-N 3.29Å
384	L	91.9	Very high	92.5	Very high	21 Å²	21	50.8 Å²	50.8	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-73.1	-32.3	-177.4	177.2	61.8	0	0	0	113	L388 L420 S423 I442 L443	L384-L388 HydrophobicContact CD1-CD1 3.94Å; L384-L388 HydrophobicContact CD1-CD2 4.46Å; L384-L388 HydrophobicContact CD1-CG 3.95Å; L384-L388 HydrophobicContact CG-CD1 3.95Å; L384-L388 HydrophobicContact CG-CG 4.37Å; L384-L388 WeakPolarHBondContact O-CB 3.32Å; L384-L388 WeakPolarHBondContact O-CG 3.32Å; L384-L388 PolarHBondContact O-N 3.16Å; L384-L420 HydrophobicContact CB-CD2 4.35Å; L384-L420 HydrophobicContact CD2-CD2 3.96Å; L384-L420 HydrophobicContact CG-CD2 3.88Å; L384-S423 VanDerWaalsContact CD2-CB 3.43Å; L384-S423 WeakPolarHBondContact CD2-OG 3.46Å; L384-I442 HydrophobicContact CD1-CB 4.2Å; L384-I442 HydrophobicContact CD1-CG2 3.74Å; L384-L443 HydrophobicContact CD1-CB 4.13Å
385	M	91.4	Very high	92.2	Very high	97 Å²	97	52.9 Å²	52.9	48%	0.478	28%	0.276	S	S	.	.	H	α-helix	trans	-70.1	-46.3	176.8	-175.1	174.3	68.4	0	0	109.9	D383 A387 L388 D389 L420	D383-M385 VanDerWaalsContact OD1-CA 3.31Å; D383-M385 WeakPolarHBondContact OD1-CA 3.4Å; D383-M385 VanDerWaalsContact OD1-CB 3.26Å; D383-M385 WeakPolarHBondContact OD1-CB 3.4Å; D383-M385 PolarHBondContact OD1-N 3.48Å; M385-A387 VanDerWaalsContact C-N 3.3Å; M385-A387 PolarHBondContact O-N 3.43Å; M385-L388 PolarHBondContact O-N 3.02Å; M385-D389 WeakPolarHBondContact O-CB 3.31Å; M385-D389 PolarHBondContact O-N 3.43Å; M385-L420 HydrophobicContact CB-CD1 4.2Å; M385-L420 HydrophobicContact CB-CD2 4.26Å; M385-L420 HydrophobicContact CG-CD1 4.07Å; M385-L420 HydrophobicContact SD-CD1 4.38Å
386	E	92.3	Very high	91.8	Very high	55 Å²	55	52.6 Å²	52.6	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-56.6	-42.4	172.9	-68.4	-167.5	158.2	0	0	111.8	W347 L381 D383 D389 L390 R455 R458	W347-E386 PolarHBondContact NE1-OE2 3.49Å; L381-E386 HydrophobicContact CD1-CB 4.03Å; D383-E386 HydrophobicContact CB-CB 4.11Å; D383-E386 HydrophobicContact CB-CG 4.05Å; D383-E386 PolarHBondContact OD1-N 2.87Å; E386-D389 PolarHBondContact O-N 2.98Å; E386-L390 PolarHBondContact O-N 2.91Å; E386-R455 IonicContact OE1-CZ 2.7Å; E386-R455 IonicContact OE1-NH1 2.92Å; E386-R455 PolarHBondContact OE1-NH1 2.79Å; E386-R455 IonicContact OE2-CZ 3.15Å; E386-R455 IonicContact OE2-NH1 2.77Å; E386-R455 PolarHBondContact OE2-NH1 2.64Å; E386-R455 IonicContact OE2-NH2 2.82Å; E386-R458 IonicContact OE1-NH2 2.75Å
387	A	93.5	Very high	91.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.1	-35.3	178	0	0	0	0	0	113.5	L381 D383 M385 L443 A446	L381-A387 HydrophobicContact CD1-CB 3.97Å; L381-A387 HydrophobicContact CD2-CB 4.09Å; L381-A387 HydrophobicContact CG-CB 4.09Å; D383-A387 WeakPolarHBondContact O-CB 3.43Å; D383-A387 PolarHBondContact O-N 3.29Å; M385-A387 VanDerWaalsContact C-N 3.3Å; M385-A387 PolarHBondContact O-N 3.43Å; A387-L443 HydrophobicContact CB-CD1 3.68Å; A387-A446 HydrophobicContact CB-CB 4.13Å
388	L	92.5	Very high	91.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-77.6	-32.8	176.5	-68	172.6	0	0	0	112.2	L384 M385 L390 L391 L396 L399 V416 L419 L420 I442 A446	L384-L388 HydrophobicContact CD1-CD1 3.94Å; L384-L388 HydrophobicContact CD1-CD2 4.46Å; L384-L388 HydrophobicContact CD1-CG 3.95Å; L384-L388 HydrophobicContact CG-CD1 3.95Å; L384-L388 HydrophobicContact CG-CG 4.37Å; L384-L388 WeakPolarHBondContact O-CB 3.32Å; L384-L388 WeakPolarHBondContact O-CG 3.32Å; L384-L388 PolarHBondContact O-N 3.16Å; M385-L388 PolarHBondContact O-N 3.02Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L388-L391 PolarHBondContact O-N 3.08Å; L388-L396 HydrophobicContact CB-CD1 4.3Å; L388-L396 HydrophobicContact CD2-CD1 3.73Å; L388-L399 HydrophobicContact CD2-CD2 3.5Å; L388-L399 VanDerWaalsContact CD2-CD2 3.5Å; L388-V416 HydrophobicContact CB-CG1 4.1Å; L388-V416 HydrophobicContact CB-CG2 4.28Å; L388-V416 HydrophobicContact CD1-CG1 4.27Å; L388-L419 HydrophobicContact CD1-CB 3.72Å; L388-L419 HydrophobicContact CD1-CD1 4.42Å; L388-L419 HydrophobicContact CD2-CB 4.39Å; L388-L419 HydrophobicContact CD2-CD1 3.66Å; L388-L420 HydrophobicContact CD1-CD2 4.1Å; L388-L420 HydrophobicContact CD1-CG 4.12Å; L388-I442 HydrophobicContact CD2-CG2 4.35Å; L388-A446 HydrophobicContact CD2-CB 4.31Å
389	D	90.6	Very high	91.1	Very high	76 Å²	76	53.2 Å²	53.2	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-74.3	-23.2	176.1	-89.8	-31	0	0	0	113.5	M385 E386 L391 K412	M385-D389 WeakPolarHBondContact O-CB 3.31Å; M385-D389 PolarHBondContact O-N 3.43Å; E386-D389 PolarHBondContact O-N 2.98Å; D389-L391 VanDerWaalsContact C-N 3.33Å; D389-K412 PolarHBondContact O-NZ 3.17Å; D389-K412 WeakPolarHBondContact OD1-CE 3.14Å; D389-K412 IonicContact OD1-NZ 2.75Å
390	L	92	Very high	90.9	Very high	20 Å²	20	45.9 Å²	45.9	11%	0.105	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-37.2	168.6	-174.5	56.7	0	0	0	112.6	W347 Q349 L381 E386 L388 A450 C453	W347-L390 HydrophobicContact CB-CD1 3.85Å; W347-L390 HydrophobicContact CB-CD2 4.06Å; W347-L390 HydrophobicContact CB-CG 4.39Å; W347-L390 WeakPolarHBondContact O-CD1 3.31Å; Q349-L390 HydrophobicContact CG-CD1 3.78Å; Q349-L390 HydrophobicContact CG-CD2 4.29Å; Q349-L390 HydrophobicContact CG-CG 3.91Å; L381-L390 HydrophobicContact CD2-CD2 4.03Å; E386-L390 PolarHBondContact O-N 2.91Å; L388-L390 VanDerWaalsContact C-N 3.33Å; L390-A450 HydrophobicContact CD2-CB 3.64Å; L390-A450 HydrophobicContact CG-CB 4.29Å; L390-C453 HydrophobicContact CD2-CB 3.71Å
391	L	91.3	Very high	90.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-71.3	133.6	-174.5	-59.4	-179.9	0	0	0	112.5	L388 D389 E395 L396 L399 K412 A446 L449 A450	L388-L391 PolarHBondContact O-N 3.08Å; D389-L391 VanDerWaalsContact C-N 3.33Å; L391-E395 HydrophobicContact CB-CB 4.26Å; L391-E395 HydrophobicContact CD2-CB 4.29Å; L391-L396 HydrophobicContact CB-CB 4.25Å; L391-L396 HydrophobicContact CD1-CD1 4.22Å; L391-L399 HydrophobicContact CD1-CD2 3.78Å; L391-K412 PolarHBondContact O-NZ 3.16Å; L391-A446 HydrophobicContact CD1-CB 4.25Å; L391-L449 HydrophobicContact CD1-CD1 4.34Å; L391-L449 HydrophobicContact CD2-CB 3.83Å; L391-A450 HydrophobicContact CD2-CB 4.06Å
392	P	88.4	Confident	90.4	Very high	44 Å²	44	54.2 Å²	54.2	29%	0.286	29%	0.291	S	S	.	.			trans	-70.2	164.3	166.4	33.8	-37.5	0	0	0	111.3	P394 E395 L396	P392-P394 VanDerWaalsContact C-CD 3.41Å; P392-E395 WeakPolarHBondContact CD-OE1 3.08Å; P392-E395 VanDerWaalsContact CD-OE2 3.27Å; P392-E395 WeakPolarHBondContact CD-OE2 3.04Å; P392-E395 HydrophobicContact CG-CB 4.19Å; P392-E395 HydrophobicContact CG-CG 3.91Å; P392-E395 WeakPolarHBondContact CG-OE1 3.22Å; P392-E395 PolarHBondContact O-N 3.45Å; P392-L396 PolarHBondContact O-N 3.42Å
393	A	87.5	Confident	90.2	Very high	44 Å²	44	48.4 Å²	48.4	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-56.1	-33.1	-173.3	0	0	0	0	0	116.3	K397	A393-K397 VanDerWaalsContact O-CB 3.32Å; A393-K397 WeakPolarHBondContact O-CB 3.38Å; A393-K397 WeakPolarHBondContact O-CG 3.29Å; A393-K397 PolarHBondContact O-N 2.96Å; A393-K397 VanDerWaalsContact O-N 3.07Å
394	P	88.6	Confident	89.8	Confident	97 Å²	97	53 Å²	53	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-68.3	-47.5	175.5	-20.7	34.3	0	0	0	112.8	P392 L396 K397 A398	P392-P394 VanDerWaalsContact C-CD 3.41Å; P394-L396 PolarHBondContact O-N 2.9Å; P394-K397 PolarHBondContact O-N 2.89Å; P394-A398 PolarHBondContact O-N 3.33Å
395	E	90.2	Very high	89.3	Confident	46 Å²	46	54.1 Å²	54.1	22%	0.215	29%	0.288	C	S	.	.	H	α-helix	trans	-61.9	-44.6	179	-66.8	165.9	-135.6	0	0	110.3	Q349 K352 L391 P392 K397 A398 L399	Q349-E395 PolarHBondContact NE2-OE2 3.31Å; K352-E395 IonicContact NZ-OE1 3.55Å; K352-E395 PolarHBondContact NZ-OE1 2.97Å; L391-E395 HydrophobicContact CB-CB 4.26Å; L391-E395 HydrophobicContact CD2-CB 4.29Å; P392-E395 WeakPolarHBondContact CD-OE1 3.08Å; P392-E395 VanDerWaalsContact CD-OE2 3.27Å; P392-E395 WeakPolarHBondContact CD-OE2 3.04Å; P392-E395 HydrophobicContact CG-CB 4.19Å; P392-E395 HydrophobicContact CG-CG 3.91Å; P392-E395 WeakPolarHBondContact CG-OE1 3.22Å; P392-E395 PolarHBondContact O-N 3.45Å; E395-K397 PolarHBondContact O-N 2.98Å; E395-A398 WeakPolarHBondContact O-CB 3.46Å; E395-A398 PolarHBondContact O-N 3.33Å; E395-L399 PolarHBondContact O-N 2.84Å
396	L	89.9	Confident	88	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-35.2	176.2	-168.9	70.3	0	0	0	113.1	L388 L391 P392 P394 L399 A400 K412 L415 V416 L419	L388-L396 HydrophobicContact CB-CD1 4.3Å; L388-L396 HydrophobicContact CD2-CD1 3.73Å; L391-L396 HydrophobicContact CB-CB 4.25Å; L391-L396 HydrophobicContact CD1-CD1 4.22Å; P392-L396 PolarHBondContact O-N 3.42Å; P394-L396 PolarHBondContact O-N 2.9Å; L396-L399 PolarHBondContact O-N 3.42Å; L396-A400 WeakPolarHBondContact O-CB 3.4Å; L396-A400 PolarHBondContact O-N 3.4Å; L396-K412 HydrophobicContact CD2-CD 4.39Å; L396-K412 HydrophobicContact CD2-CG 3.74Å; L396-L415 HydrophobicContact CD2-CB 3.75Å; L396-L415 HydrophobicContact CD2-CD1 4.41Å; L396-L415 HydrophobicContact CG-CB 4Å; L396-L415 HydrophobicContact CG-CD1 4.49Å; L396-V416 HydrophobicContact CD2-CG2 3.7Å; L396-L419 HydrophobicContact CD1-CD1 3.78Å
397	K	88.6	Confident	86.3	Confident	96 Å²	96	55.3 Å²	55.3	42%	0.417	32%	0.321	S	S	.	.	H	α-helix	trans	-69.1	-35.2	173.5	-80	174.1	-179.6	-178.8	0	112.4	A393 P394 E395 K401 L415	A393-K397 VanDerWaalsContact O-CB 3.32Å; A393-K397 WeakPolarHBondContact O-CB 3.38Å; A393-K397 WeakPolarHBondContact O-CG 3.29Å; A393-K397 PolarHBondContact O-N 2.96Å; A393-K397 VanDerWaalsContact O-N 3.07Å; P394-K397 PolarHBondContact O-N 2.89Å; E395-K397 PolarHBondContact O-N 2.98Å; K397-K401 WeakPolarHBondContact O-CG 3.29Å; K397-K401 PolarHBondContact O-N 3.42Å; K397-L415 HydrophobicContact CG-CD1 3.49Å; K397-L415 VanDerWaalsContact CG-CD1 3.49Å
398	A	88.8	Confident	84.5	Confident	49 Å²	49	60.4 Å²	60.4	41%	0.405	36%	0.356	S	S	.	.	H	α-helix	trans	-64.6	-48.4	172.4	0	0	0	0	0	110.5	P394 E395 A400 K401 T402	P394-A398 PolarHBondContact O-N 3.33Å; E395-A398 WeakPolarHBondContact O-CB 3.46Å; E395-A398 PolarHBondContact O-N 3.33Å; A398-A400 PolarHBondContact O-N 3.18Å; A398-K401 WeakPolarHBondContact O-CB 3.42Å; A398-K401 PolarHBondContact O-N 2.99Å; A398-T402 PolarHBondContact O-N 3.25Å; A398-T402 VanDerWaalsContact O-N 3.07Å; A398-T402 PolarHBondContact O-OG1 2.76Å
399	L	90.3	Very high	82.8	Confident	3 Å²	3	61.1 Å²	61.1	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-57.4	-47.3	176.9	-168.9	64.3	0	0	0	112.2	L388 L391 E395 L396 K401 T402 F403 L419 I442 R445 A446 L449	L388-L399 HydrophobicContact CD2-CD2 3.5Å; L388-L399 VanDerWaalsContact CD2-CD2 3.5Å; L391-L399 HydrophobicContact CD1-CD2 3.78Å; E395-L399 PolarHBondContact O-N 2.84Å; L396-L399 PolarHBondContact O-N 3.42Å; L399-K401 VanDerWaalsContact C-N 3.33Å; L399-K401 PolarHBondContact O-N 3.33Å; L399-T402 WeakPolarHBondContact O-CB 3.48Å; L399-T402 PolarHBondContact O-N 3.16Å; L399-T402 VanDerWaalsContact O-N 3.13Å; L399-F403 HydrophobicContact CD1-CD2 4.17Å; L399-F403 HydrophobicContact CD1-CE2 3.71Å; L399-F403 HydrophobicContact CG-CD2 4.3Å; L399-F403 HydrophobicContact CG-CE2 4.27Å; L399-F403 WeakPolarHBondContact O-CD2 3.08Å; L399-F403 PolarHBondContact O-N 3.4Å; L399-L419 HydrophobicContact CD2-CD1 3.98Å; L399-L419 HydrophobicContact CG-CD1 4.19Å; L399-I442 HydrophobicContact CD2-CG2 4.33Å; L399-R445 HydrophobicContact CD1-CB 3.59Å; L399-A446 HydrophobicContact CD2-CB 4.02Å; L399-L449 HydrophobicContact CB-CD1 3.84Å; L399-L449 HydrophobicContact CD1-CD1 3.99Å; L399-L449 HydrophobicContact CG-CD1 4.35Å
400	A	88.6	Confident	81.7	Confident	3 Å²	3	62.5 Å²	62.5	3%	0.025	38%	0.375	C	S	.	.	H	α-helix	trans	-59.8	-39.5	177.7	0	0	0	0	0	112.8	L396 A398 F403 H404 L405 L415	L396-A400 WeakPolarHBondContact O-CB 3.4Å; L396-A400 PolarHBondContact O-N 3.4Å; A398-A400 PolarHBondContact O-N 3.18Å; A400-F403 CarbonylContact O-C 3.54Å; A400-F403 PolarHBondContact O-N 3.32Å; A400-H404 PolarHBondContact O-N 3.33Å; A400-L405 HydrophobicContact CB-CB 4.23Å; A400-L405 HydrophobicContact CB-CD1 4.42Å; A400-L405 PolarHBondContact O-N 3.12Å; A400-L415 HydrophobicContact CB-CD2 3.91Å
401	K	88.1	Confident	81.1	Confident	162 Å²	162	66 Å²	66	70%	0.704	39%	0.391	S	S	*	.	H	α-helix	trans	-62.9	-41.5	173.3	-75.1	177.2	176	-172.9	0	112.4	K397 A398 L399 F403 H404	K397-K401 WeakPolarHBondContact O-CG 3.29Å; K397-K401 PolarHBondContact O-N 3.42Å; A398-K401 WeakPolarHBondContact O-CB 3.42Å; A398-K401 PolarHBondContact O-N 2.99Å; L399-K401 VanDerWaalsContact C-N 3.33Å; L399-K401 PolarHBondContact O-N 3.33Å; K401-F403 PolarHBondContact O-N 3.03Å; K401-H404 PolarHBondContact O-N 3.18Å
402	T	88.6	Confident	80.7	Confident	90 Å²	90	69.3 Å²	69.3	55%	0.552	41%	0.405	S	S	*	.	H	α-helix	trans	-60.9	-28.7	176.9	-53.9	0	0	0	0	112.7	A398 L399	A398-T402 PolarHBondContact O-N 3.25Å; A398-T402 VanDerWaalsContact O-N 3.07Å; A398-T402 PolarHBondContact O-OG1 2.76Å; L399-T402 WeakPolarHBondContact O-CB 3.48Å; L399-T402 PolarHBondContact O-N 3.16Å; L399-T402 VanDerWaalsContact O-N 3.13Å
403	F	87.9	Confident	80.5	Confident	36 Å²	36	71.8 Å²	71.8	16%	0.158	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	18.1	175.6	-70	-74.7	0	0	0	113.9	L399 A400 K401 L405 L419 L422 V441 I442 R445	L399-F403 HydrophobicContact CD1-CD2 4.17Å; L399-F403 HydrophobicContact CD1-CE2 3.71Å; L399-F403 HydrophobicContact CG-CD2 4.3Å; L399-F403 HydrophobicContact CG-CE2 4.27Å; L399-F403 WeakPolarHBondContact O-CD2 3.08Å; L399-F403 PolarHBondContact O-N 3.4Å; A400-F403 CarbonylContact O-C 3.54Å; A400-F403 PolarHBondContact O-N 3.32Å; K401-F403 PolarHBondContact O-N 3.03Å; F403-L405 PolarHBondContact O-N 3.33Å; F403-L419 HydrophobicContact CB-CD2 4.14Å; F403-L419 HydrophobicContact CD2-CD2 3.88Å; F403-L419 HydrophobicContact CG-CD2 4.25Å; F403-L422 HydrophobicContact CB-CD2 3.72Å; F403-L422 HydrophobicContact CD1-CD2 4.11Å; F403-L422 HydrophobicContact CG-CD2 4.19Å; F403-V441 HydrophobicContact CE1-CG1 4.27Å; F403-V441 HydrophobicContact CZ-CG1 4.08Å; F403-I442 HydrophobicContact CD1-CG1 3.98Å; F403-I442 HydrophobicContact CD2-CG1 3.98Å; F403-I442 HydrophobicContact CE1-CG1 3.6Å; F403-I442 HydrophobicContact CE2-CB 4.1Å; F403-I442 HydrophobicContact CE2-CG1 3.62Å; F403-I442 HydrophobicContact CE2-CG2 4.19Å; F403-I442 HydrophobicContact CG-CG1 4.17Å; F403-I442 HydrophobicContact CZ-CB 4.04Å; F403-I442 HydrophobicContact CZ-CG1 3.42Å; F403-I442 VanDerWaalsContact CZ-CG1 3.42Å; F403-R445 HydrophobicContact CE2-CB 4.49Å; F403-R445 HydrophobicContact CZ-CG 4.45Å
404	H	85.3	Confident	80.4	Confident	173 Å²	173	74 Å²	74	80%	0.801	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	23.5	176.9	-52.9	-67.9	0	0	0	115.4	A400 K401 G406	A400-H404 PolarHBondContact O-N 3.33Å; K401-H404 PolarHBondContact O-N 3.18Å; H404-G406 PolarHBondContact O-N 2.87Å
405	L	80.9	Confident	80.3	Confident	45 Å²	45	70 Å²	70	24%	0.236	39%	0.389	C	S	.	.			trans	-68	123.9	171.4	-78.6	157.5	0	0	0	109.2	A400 F403 L419	A400-L405 HydrophobicContact CB-CB 4.23Å; A400-L405 HydrophobicContact CB-CD1 4.42Å; A400-L405 PolarHBondContact O-N 3.12Å; F403-L405 PolarHBondContact O-N 3.33Å; L405-L419 HydrophobicContact CD1-CB 4.36Å; L405-L419 HydrophobicContact CD1-CD2 3.47Å; L405-L419 VanDerWaalsContact CD1-CD2 3.47Å; L405-L419 HydrophobicContact CD1-CG 3.54Å
406	G	63.3	Low	80.2	Confident	52 Å²	52	67.8 Å²	67.8	54%	0.536	38%	0.378	S	S	.	.			trans	-56.3	148.1	-174.4	0	0	0	0	0	113.5	H404 S408	H404-G406 PolarHBondContact O-N 2.87Å; G406-S408 PolarHBondContact O-N 3.35Å
407	S	58.1	Low	80.1	Confident	126 Å²	126	71 Å²	71	88%	0.881	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	7.6	-174.1	49.2	0	0	0	0	115.8
408	S	54.6	Low	80.1	Confident	106 Å²	106	67 Å²	67	74%	0.741	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-20	-179.7	49.8	0	0	0	0	114.2	G406 T410	G406-S408 PolarHBondContact O-N 3.35Å; S408-T410 PolarHBondContact O-N 3.2Å
409	G	57.8	Low	80.1	Confident	15 Å²	15	64.6 Å²	64.6	16%	0.155	36%	0.362	C	S	.	.			trans	-79.6	90.7	175.2	0	0	0	0	0	112.8	L415	G409-L415 WeakPolarHBondContact O-CD2 3.47Å
410	T	66.2	Low	80	Confident	105 Å²	105	65.4 Å²	65.4	64%	0.644	37%	0.366	S	S	*	.			trans	-81.1	-28.1	176.4	57	0	0	0	0	113.2	S408	S408-T410 PolarHBondContact O-N 3.2Å
411	Q	79.3	Confident	79.9	Confident	95 Å²	95	73.7 Å²	73.7	44%	0.444	40%	0.397	S	S	.	.	S	Bend	trans	-95	143.7	-176	-46	-156.3	-77.4	0	0	111.4	Q413 Q414	Q411-Q413 VanDerWaalsContact C-N 3.34Å; Q411-Q413 PolarHBondContact O-N 3.12Å; Q411-Q414 HydrophobicContact CB-CG 4.36Å; Q411-Q414 PolarHBondContact O-N 3.17Å
412	K	83.6	Confident	79.9	Confident	68 Å²	68	67.5 Å²	67.5	30%	0.296	37%	0.372	S	S	.	.	H	α-helix	trans	-50.4	-50.3	-177.2	169.3	165.1	174.7	166.5	0	112.4	D389 L391 L396 Q414 L415 V416	D389-K412 PolarHBondContact O-NZ 3.17Å; D389-K412 WeakPolarHBondContact OD1-CE 3.14Å; D389-K412 IonicContact OD1-NZ 2.75Å; L391-K412 PolarHBondContact O-NZ 3.16Å; L396-K412 HydrophobicContact CD2-CD 4.39Å; L396-K412 HydrophobicContact CD2-CG 3.74Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 2.9Å; K412-L415 WeakPolarHBondContact O-CB 3.4Å; K412-L415 PolarHBondContact O-N 3.43Å; K412-V416 HydrophobicContact CG-CG2 4.2Å; K412-V416 PolarHBondContact O-N 3.48Å; K412-V416 VanDerWaalsContact O-N 3.13Å
413	Q	84.4	Confident	79.8	Confident	96 Å²	96	63.8 Å²	63.8	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-57.1	-42.6	-175.6	-164.5	60.8	44.4	0	0	112.5	Q411 L415 V416 D417	Q411-Q413 VanDerWaalsContact C-N 3.34Å; Q411-Q413 PolarHBondContact O-N 3.12Å; Q413-L415 PolarHBondContact O-N 3.42Å; Q413-V416 PolarHBondContact O-N 3.23Å; Q413-D417 PolarHBondContact NE2-OD1 3.48Å; Q413-D417 WeakPolarHBondContact O-CB 3.48Å; Q413-D417 PolarHBondContact O-N 3.38Å
414	Q	85.2	Confident	79.6	Confident	91 Å²	91	71.5 Å²	71.5	43%	0.425	38%	0.377	S	S	.	.	H	α-helix	trans	-61.3	-29.6	179.8	-61.8	174.4	-49.8	0	0	112.8	Q411 K412 G418	Q411-Q414 HydrophobicContact CB-CG 4.36Å; Q411-Q414 PolarHBondContact O-N 3.17Å; K412-Q414 VanDerWaalsContact C-N 3.3Å; K412-Q414 PolarHBondContact O-N 2.9Å; Q414-G418 PolarHBondContact O-N 3.13Å
415	L	87.1	Confident	79.3	Confident	12 Å²	12	68.6 Å²	68.6	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-78.7	-38.8	175.8	-60.6	172.3	0	0	0	111.5	L396 K397 A400 G409 K412 Q413 G418 L419	L396-L415 HydrophobicContact CD2-CB 3.75Å; L396-L415 HydrophobicContact CD2-CD1 4.41Å; L396-L415 HydrophobicContact CG-CB 4Å; L396-L415 HydrophobicContact CG-CD1 4.49Å; K397-L415 HydrophobicContact CG-CD1 3.49Å; K397-L415 VanDerWaalsContact CG-CD1 3.49Å; A400-L415 HydrophobicContact CB-CD2 3.91Å; G409-L415 WeakPolarHBondContact O-CD2 3.47Å; K412-L415 WeakPolarHBondContact O-CB 3.4Å; K412-L415 PolarHBondContact O-N 3.43Å; Q413-L415 PolarHBondContact O-N 3.42Å; L415-G418 PolarHBondContact O-N 3.17Å; L415-L419 WeakPolarHBondContact O-CB 3.28Å; L415-L419 WeakPolarHBondContact O-CG 3.41Å; L415-L419 PolarHBondContact O-N 3.31Å
416	V	88.4	Confident	78.2	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-61.3	-53.6	171.4	-179.1	0	0	0	0	109.8	L388 L396 K412 Q413 G418 L419 L420	L388-V416 HydrophobicContact CB-CG1 4.1Å; L388-V416 HydrophobicContact CB-CG2 4.28Å; L388-V416 HydrophobicContact CD1-CG1 4.27Å; L396-V416 HydrophobicContact CD2-CG2 3.7Å; K412-V416 HydrophobicContact CG-CG2 4.2Å; K412-V416 PolarHBondContact O-N 3.48Å; K412-V416 VanDerWaalsContact O-N 3.13Å; Q413-V416 PolarHBondContact O-N 3.23Å; V416-G418 PolarHBondContact O-N 3.37Å; V416-L419 PolarHBondContact O-N 3.37Å; V416-L419 VanDerWaalsContact O-N 3.16Å; V416-L420 HydrophobicContact CG1-CD1 3.76Å; V416-L420 HydrophobicContact CG1-CG 4.17Å; V416-L420 WeakPolarHBondContact O-CB 3.22Å; V416-L420 WeakPolarHBondContact O-CG 3.42Å; V416-L420 PolarHBondContact O-N 3.25Å
417	D	87.4	Confident	77.9	Confident	67 Å²	67	76.6 Å²	76.6	36%	0.358	39%	0.392	S	S	.	.	H	α-helix	trans	-58.3	-36.6	178.6	-57.2	-18.2	0	0	0	112.1	Q413 R421	Q413-D417 PolarHBondContact NE2-OD1 3.48Å; Q413-D417 WeakPolarHBondContact O-CB 3.48Å; Q413-D417 PolarHBondContact O-N 3.38Å; D417-R421 VanDerWaalsContact O-CB 3.25Å; D417-R421 WeakPolarHBondContact O-CB 3.46Å; D417-R421 PolarHBondContact O-N 3.44Å
418	G	87.8	Confident	77.5	Confident	12 Å²	12	80.2 Å²	80.2	12%	0.124	39%	0.392	C	S	.	.	H	α-helix	trans	-66.2	-47.7	175.4	0	0	0	0	0	112.8	Q414 L415 V416 R421 L422	Q414-G418 PolarHBondContact O-N 3.13Å; L415-G418 PolarHBondContact O-N 3.17Å; V416-G418 PolarHBondContact O-N 3.37Å; G418-R421 PolarHBondContact O-N 2.98Å; G418-L422 PolarHBondContact O-N 2.75Å
419	L	88.6	Confident	77.5	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-67.7	-38.1	177.1	-73.7	164.4	0	0	0	112.1	L388 L396 L399 F403 L405 L415 V416 R421 L422 S423 I442	L388-L419 HydrophobicContact CD1-CB 3.72Å; L388-L419 HydrophobicContact CD1-CD1 4.42Å; L388-L419 HydrophobicContact CD2-CB 4.39Å; L388-L419 HydrophobicContact CD2-CD1 3.66Å; L396-L419 HydrophobicContact CD1-CD1 3.78Å; L399-L419 HydrophobicContact CD2-CD1 3.98Å; L399-L419 HydrophobicContact CG-CD1 4.19Å; F403-L419 HydrophobicContact CB-CD2 4.14Å; F403-L419 HydrophobicContact CD2-CD2 3.88Å; F403-L419 HydrophobicContact CG-CD2 4.25Å; L405-L419 HydrophobicContact CD1-CB 4.36Å; L405-L419 HydrophobicContact CD1-CD2 3.47Å; L405-L419 VanDerWaalsContact CD1-CD2 3.47Å; L405-L419 HydrophobicContact CD1-CG 3.54Å; L415-L419 WeakPolarHBondContact O-CB 3.28Å; L415-L419 WeakPolarHBondContact O-CG 3.41Å; L415-L419 PolarHBondContact O-N 3.31Å; V416-L419 PolarHBondContact O-N 3.37Å; V416-L419 VanDerWaalsContact O-N 3.16Å; L419-R421 VanDerWaalsContact C-N 3.32Å; L419-R421 PolarHBondContact O-N 3.31Å; L419-L422 PolarHBondContact O-N 3Å; L419-S423 PolarHBondContact O-N 3.26Å; L419-S423 PolarHBondContact O-OG 2.94Å; L419-I442 HydrophobicContact CD2-CD1 4.46Å; L419-I442 HydrophobicContact CD2-CG2 4.09Å
420	L	88.9	Confident	77	Confident	20 Å²	20	85.9 Å²	85.9	11%	0.105	41%	0.405	C	S	.	.	H	α-helix	trans	-68	-28.1	172.8	-69.9	178.7	0	0	0	113	L384 M385 L388 V416 S423 R424	L384-L420 HydrophobicContact CB-CD2 4.35Å; L384-L420 HydrophobicContact CD2-CD2 3.96Å; L384-L420 HydrophobicContact CG-CD2 3.88Å; M385-L420 HydrophobicContact CB-CD1 4.2Å; M385-L420 HydrophobicContact CB-CD2 4.26Å; M385-L420 HydrophobicContact CG-CD1 4.07Å; M385-L420 HydrophobicContact SD-CD1 4.38Å; L388-L420 HydrophobicContact CD1-CD2 4.1Å; L388-L420 HydrophobicContact CD1-CG 4.12Å; V416-L420 HydrophobicContact CG1-CD1 3.76Å; V416-L420 HydrophobicContact CG1-CG 4.17Å; V416-L420 WeakPolarHBondContact O-CB 3.22Å; V416-L420 WeakPolarHBondContact O-CG 3.42Å; V416-L420 PolarHBondContact O-N 3.25Å; L420-S423 PolarHBondContact O-OG 3.24Å; L420-S423 VanDerWaalsContact O-OG 3.04Å; L420-R424 VanDerWaalsContact O-CD 3.28Å; L420-R424 WeakPolarHBondContact O-CD 3.4Å; L420-R424 WeakPolarHBondContact O-CG 3.34Å
421	R	87.4	Confident	76	Confident	176 Å²	176	85.8 Å²	85.8	66%	0.664	41%	0.406	S	S	*	.	H	α-helix	trans	-74	-42.5	171.5	-168.4	-178.5	-53.9	170.5	5.7	111.1	D417 G418 L419 R424 Q425	D417-R421 VanDerWaalsContact O-CB 3.25Å; D417-R421 WeakPolarHBondContact O-CB 3.46Å; D417-R421 PolarHBondContact O-N 3.44Å; G418-R421 PolarHBondContact O-N 2.98Å; L419-R421 VanDerWaalsContact C-N 3.32Å; L419-R421 PolarHBondContact O-N 3.31Å; R421-R424 PolarHBondContact O-N 2.87Å; R421-Q425 PolarHBondContact O-N 3.24Å
422	L	86.7	Confident	74.5	Confident	33 Å²	33	86.7 Å²	86.7	17%	0.173	43%	0.43	C	S	.	.	H	α-helix	trans	-64.3	-42.2	178.5	-155.6	82.7	0	0	0	111.8	F403 G418 L419 R424 Q425 V438 I442	F403-L422 HydrophobicContact CB-CD2 3.72Å; F403-L422 HydrophobicContact CD1-CD2 4.11Å; F403-L422 HydrophobicContact CG-CD2 4.19Å; G418-L422 PolarHBondContact O-N 2.75Å; L419-L422 PolarHBondContact O-N 3Å; L422-R424 PolarHBondContact O-N 3.17Å; L422-Q425 WeakPolarHBondContact O-CB 3.46Å; L422-Q425 PolarHBondContact O-N 2.85Å; L422-Q425 VanDerWaalsContact O-N 3.17Å; L422-V438 HydrophobicContact CD2-CG1 4.27Å; L422-V438 HydrophobicContact CG-CG1 4.38Å; L422-I442 HydrophobicContact CB-CD1 4.42Å; L422-I442 HydrophobicContact CD2-CD1 4.39Å
423	S	85.9	Confident	72.8	Confident	12 Å²	12	89.2 Å²	89.2	8%	0.084	46%	0.457	C	S	.	.	H	α-helix	trans	-62.5	-29	176.5	66.8	0	0	0	0	113.2	L384 L419 L420 S436	L384-S423 VanDerWaalsContact CD2-CB 3.43Å; L384-S423 WeakPolarHBondContact CD2-OG 3.46Å; L419-S423 PolarHBondContact O-N 3.26Å; L419-S423 PolarHBondContact O-OG 2.94Å; L420-S423 PolarHBondContact O-OG 3.24Å; L420-S423 VanDerWaalsContact O-OG 3.04Å; S423-S436 WeakPolarHBondContact O-CB 3.34Å; S423-S436 PolarHBondContact O-OG 2.74Å
424	R	84.9	Confident	71.2	Confident	198 Å²	198	87.6 Å²	87.6	75%	0.747	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.8	178.1	-68	172.3	-173.8	-178	2.6	114.2	L420 R421 L422 K426	L420-R424 VanDerWaalsContact O-CD 3.28Å; L420-R424 WeakPolarHBondContact O-CD 3.4Å; L420-R424 WeakPolarHBondContact O-CG 3.34Å; R421-R424 PolarHBondContact O-N 2.87Å; L422-R424 PolarHBondContact O-N 3.17Å; R424-K426 PolarHBondContact O-N 3.33Å
425	Q	78.1	Confident	69.6	Low	112 Å²	112	91 Å²	91	52%	0.523	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-69.3	128.9	175	-72.1	177.4	-21.3	0	0	110.5	R421 L422	R421-Q425 PolarHBondContact O-N 3.24Å; L422-Q425 WeakPolarHBondContact O-CB 3.46Å; L422-Q425 PolarHBondContact O-N 2.85Å; L422-Q425 VanDerWaalsContact O-N 3.17Å
426	K	58.2	Low	68.3	Low	190 Å²	190	92.4 Å²	92.4	83%	0.826	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-72.7	133.5	173.6	-68	-174.5	177	-176.5	0	109.6	R424	R424-K426 PolarHBondContact O-N 3.33Å
427	S	56.6	Low	67.6	Low	75 Å²	75	99.4 Å²	99.4	52%	0.524	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-67.8	130	166.1	179	0	0	0	0	109.3	F429	S427-F429 PolarHBondContact O-N 3.01Å; S427-F429 VanDerWaalsContact O-N 3.08Å; S427-F429 PolarHBondContact OG-N 3.18Å
428	F	50.8	Low	67.5	Low	201 Å²	201	99.2 Å²	99.2	88%	0.882	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-8.1	177.7	-74.8	-86.5	0	0	0	114
429	F	53.9	Low	67.4	Low	193 Å²	193	99.2 Å²	99.2	85%	0.846	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.2	49.9	-176.4	-61	-83.3	0	0	0	112.5	S427	S427-F429 PolarHBondContact O-N 3.01Å; S427-F429 VanDerWaalsContact O-N 3.08Å; S427-F429 PolarHBondContact OG-N 3.18Å
430	S	48	Very low	67.3	Low	48 Å²	48	102.6 Å²	102.6	34%	0.336	54%	0.535	S	S	.	.	S	Bend	trans	-151	144.1	172.9	-69.8	0	0	0	0	113.6
431	P	45.5	Very low	67.4	Low	102 Å²	102	105.2 Å²	105.2	66%	0.662	55%	0.551	S	S	*	*			trans	-64.9	154.8	178.8	-22.2	34.3	0	0	0	114.3	S433 S434	P431-S433 PolarHBondContact O-N 3.34Å; P431-S434 PolarHBondContact O-N 3.11Å; P431-S434 PolarHBondContact O-OG 3.41Å
432	A	47	Very low	67.6	Low	115 Å²	115	96.9 Å²	96.9	95%	0.95	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-9.7	-163.1	0	0	0	0	0	117
433	S	47.8	Very low	67.9	Low	121 Å²	121	96.8 Å²	96.8	85%	0.846	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.5	-179.6	53.4	0	0	0	0	114.5	P431	P431-S433 PolarHBondContact O-N 3.34Å
434	S	50.3	Low	68.2	Low	61 Å²	61	102.7 Å²	102.7	43%	0.427	54%	0.544	S	S	.	.	S	Bend	trans	-84.8	132	-176.8	57.4	0	0	0	0	112.9	P431	P431-S434 PolarHBondContact O-N 3.11Å; P431-S434 PolarHBondContact O-OG 3.41Å
435	Q	52.9	Low	68.6	Low	162 Å²	162	99.2 Å²	99.2	76%	0.757	53%	0.531	S	S	*	.			trans	-57.3	149.6	169.1	-73.8	-173.3	-5.2	0	0	110.6	K437	Q435-K437 PolarHBondContact O-N 3.21Å
436	S	59.2	Low	69.3	Low	42 Å²	42	93.9 Å²	93.9	29%	0.294	51%	0.506	S	S	.	.			trans	-61.7	105.9	176.4	176.8	0	0	0	0	111.1	S423 V438 G439 T440	S423-S436 WeakPolarHBondContact O-CB 3.34Å; S423-S436 PolarHBondContact O-OG 2.74Å; S436-V438 PolarHBondContact O-N 2.79Å; S436-V438 VanDerWaalsContact O-N 3.12Å; S436-G439 WeakPolarHBondContact O-CA 3.33Å; S436-G439 PolarHBondContact O-N 2.98Å; S436-G439 PolarHBondContact OG-N 3.22Å; S436-T440 PolarHBondContact O-N 2.85Å; S436-T440 VanDerWaalsContact O-N 3.09Å; S436-T440 PolarHBondContact O-OG1 3.42Å
437	K	74.7	Confident	71	Confident	148 Å²	148	87.3 Å²	87.3	64%	0.643	48%	0.477	S	S	*	.	H	α-helix	trans	-51.9	-33.8	173.6	-65.1	178.2	179.9	173.5	0	111.7	Q435 V441	Q435-K437 PolarHBondContact O-N 3.21Å; K437-V441 WeakPolarHBondContact O-CB 3.36Å; K437-V441 VanDerWaalsContact O-CG2 3.23Å; K437-V441 WeakPolarHBondContact O-CG2 3.37Å; K437-V441 PolarHBondContact O-N 2.9Å; K437-V441 VanDerWaalsContact O-N 3.08Å
438	V	83.9	Confident	72.7	Confident	62 Å²	62	88.9 Å²	88.9	38%	0.376	48%	0.476	S	S	.	.	H	α-helix	trans	-65.1	-47	174.8	179.9	0	0	0	0	110.7	L422 S436 T440 V441 I442	L422-V438 HydrophobicContact CD2-CG1 4.27Å; L422-V438 HydrophobicContact CG-CG1 4.38Å; S436-V438 PolarHBondContact O-N 2.79Å; S436-V438 VanDerWaalsContact O-N 3.12Å; V438-T440 PolarHBondContact O-N 3.06Å; V438-V441 PolarHBondContact O-N 3.33Å; V438-I442 HydrophobicContact CG1-CD1 3.85Å; V438-I442 HydrophobicContact CG1-CG1 4.33Å; V438-I442 VanDerWaalsContact O-CG1 3.29Å; V438-I442 WeakPolarHBondContact O-CG1 2.98Å; V438-I442 PolarHBondContact O-N 2.98Å
439	G	85.6	Confident	74.7	Confident	12 Å²	12	82.7 Å²	82.7	12%	0.124	45%	0.452	C	S	.	.	H	α-helix	trans	-57.8	-47.3	176.2	0	0	0	0	0	113.3	S436 V441 I442 L443	S436-G439 WeakPolarHBondContact O-CA 3.33Å; S436-G439 PolarHBondContact O-N 2.98Å; S436-G439 PolarHBondContact OG-N 3.22Å; G439-V441 VanDerWaalsContact C-N 3.3Å; G439-V441 PolarHBondContact O-N 2.78Å; G439-I442 PolarHBondContact O-N 2.94Å; G439-L443 WeakPolarHBondContact O-CB 3.27Å; G439-L443 PolarHBondContact O-N 3.46Å
440	T	87.5	Confident	76.4	Confident	71 Å²	71	73.5 Å²	73.5	44%	0.436	41%	0.412	S	S	.	.	H	α-helix	trans	-62.4	-36.3	176.7	-40.7	0	0	0	0	112.1	S436 V438 K444	S436-T440 PolarHBondContact O-N 2.85Å; S436-T440 VanDerWaalsContact O-N 3.09Å; S436-T440 PolarHBondContact O-OG1 3.42Å; V438-T440 PolarHBondContact O-N 3.06Å; T440-K444 WeakPolarHBondContact O-CB 3.49Å; T440-K444 PolarHBondContact O-N 2.81Å
441	V	91	Very high	78.5	Confident	76 Å²	76	72.8 Å²	72.8	46%	0.461	41%	0.412	S	S	.	.	H	α-helix	trans	-73.5	-39.1	176.9	172.7	0	0	0	0	111.9	F403 K437 V438 G439 K444 R445	F403-V441 HydrophobicContact CE1-CG1 4.27Å; F403-V441 HydrophobicContact CZ-CG1 4.08Å; K437-V441 WeakPolarHBondContact O-CB 3.36Å; K437-V441 VanDerWaalsContact O-CG2 3.23Å; K437-V441 WeakPolarHBondContact O-CG2 3.37Å; K437-V441 PolarHBondContact O-N 2.9Å; K437-V441 VanDerWaalsContact O-N 3.08Å; V438-V441 PolarHBondContact O-N 3.33Å; G439-V441 VanDerWaalsContact C-N 3.3Å; G439-V441 PolarHBondContact O-N 2.78Å; V441-K444 PolarHBondContact O-N 3.03Å; V441-R445 WeakPolarHBondContact O-CG 3.47Å; V441-R445 PolarHBondContact O-N 3.01Å
442	I	91.7	Very high	80.8	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-60.9	-47.6	171.7	-60.3	159.4	0	0	0	109.5	L384 L388 L399 F403 L419 L422 V438 G439 K444 R445 A446	L384-I442 HydrophobicContact CD1-CB 4.2Å; L384-I442 HydrophobicContact CD1-CG2 3.74Å; L388-I442 HydrophobicContact CD2-CG2 4.35Å; L399-I442 HydrophobicContact CD2-CG2 4.33Å; F403-I442 HydrophobicContact CD1-CG1 3.98Å; F403-I442 HydrophobicContact CD2-CG1 3.98Å; F403-I442 HydrophobicContact CE1-CG1 3.6Å; F403-I442 HydrophobicContact CE2-CB 4.1Å; F403-I442 HydrophobicContact CE2-CG1 3.62Å; F403-I442 HydrophobicContact CE2-CG2 4.19Å; F403-I442 HydrophobicContact CG-CG1 4.17Å; F403-I442 HydrophobicContact CZ-CB 4.04Å; F403-I442 HydrophobicContact CZ-CG1 3.42Å; F403-I442 VanDerWaalsContact CZ-CG1 3.42Å; L419-I442 HydrophobicContact CD2-CD1 4.46Å; L419-I442 HydrophobicContact CD2-CG2 4.09Å; L422-I442 HydrophobicContact CB-CD1 4.42Å; L422-I442 HydrophobicContact CD2-CD1 4.39Å; V438-I442 HydrophobicContact CG1-CD1 3.85Å; V438-I442 HydrophobicContact CG1-CG1 4.33Å; V438-I442 VanDerWaalsContact O-CG1 3.29Å; V438-I442 WeakPolarHBondContact O-CG1 2.98Å; V438-I442 PolarHBondContact O-N 2.98Å; G439-I442 PolarHBondContact O-N 2.94Å; I442-K444 PolarHBondContact O-N 2.84Å; I442-R445 PolarHBondContact O-N 3.21Å; I442-A446 WeakPolarHBondContact O-CB 3.4Å; I442-A446 PolarHBondContact O-N 3.03Å
443	L	92.6	Very high	83.1	Confident	31 Å²	31	65.8 Å²	65.8	16%	0.162	36%	0.358	C	S	.	.	H	α-helix	trans	-57.6	-49.3	177.1	177.9	65.2	0	0	0	111.3	E382 L384 A387 G439 R445 A446 K447	E382-L443 WeakPolarHBondContact O-CD2 3.13Å; L384-L443 HydrophobicContact CD1-CB 4.13Å; A387-L443 HydrophobicContact CB-CD1 3.68Å; G439-L443 WeakPolarHBondContact O-CB 3.27Å; G439-L443 PolarHBondContact O-N 3.46Å; L443-R445 VanDerWaalsContact C-N 3.3Å; L443-R445 PolarHBondContact O-N 3.33Å; L443-A446 PolarHBondContact O-N 2.84Å; L443-A446 VanDerWaalsContact O-N 3.17Å; L443-K447 HydrophobicContact CD1-CD 3.99Å; L443-K447 HydrophobicContact CD1-CG 4.18Å; L443-K447 HydrophobicContact CG-CD 3.96Å; L443-K447 HydrophobicContact CG-CG 4.47Å; L443-K447 WeakPolarHBondContact O-CG 3.22Å; L443-K447 PolarHBondContact O-N 3.44Å
444	K	92.4	Very high	85.4	Confident	137 Å²	137	60.3 Å²	60.3	60%	0.596	32%	0.32	S	S	*	.	H	α-helix	trans	-59.6	-38.9	178.1	-173.3	170.6	-177.1	172.7	0	112.2	T440 V441 I442 Q448	T440-K444 WeakPolarHBondContact O-CB 3.49Å; T440-K444 PolarHBondContact O-N 2.81Å; V441-K444 PolarHBondContact O-N 3.03Å; I442-K444 PolarHBondContact O-N 2.84Å; K444-Q448 WeakPolarHBondContact O-CB 3.42Å; K444-Q448 VanDerWaalsContact O-CG 3.28Å; K444-Q448 WeakPolarHBondContact O-CG 3.17Å; K444-Q448 PolarHBondContact O-N 2.77Å; K444-Q448 VanDerWaalsContact O-N 3.11Å
445	R	92.6	Very high	87.5	Confident	125 Å²	125	58.3 Å²	58.3	47%	0.472	30%	0.303	S	S	.	.	H	α-helix	trans	-72.9	-36.3	175.1	-68.4	-52.2	-164.5	175.7	7.3	112.9	L399 F403 V441 I442 L443 Q448 L449	L399-R445 HydrophobicContact CD1-CB 3.59Å; F403-R445 HydrophobicContact CE2-CB 4.49Å; F403-R445 HydrophobicContact CZ-CG 4.45Å; V441-R445 WeakPolarHBondContact O-CG 3.47Å; V441-R445 PolarHBondContact O-N 3.01Å; I442-R445 PolarHBondContact O-N 3.21Å; L443-R445 VanDerWaalsContact C-N 3.3Å; L443-R445 PolarHBondContact O-N 3.33Å; R445-Q448 PolarHBondContact O-N 3.14Å; R445-L449 WeakPolarHBondContact O-CG 3.09Å; R445-L449 PolarHBondContact O-N 3.4Å
446	A	93.2	Very high	89.5	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-46.1	174.2	0	0	0	0	0	111.3	A387 L388 L391 L399 I442 L443 Q448 L449 A450	A387-A446 HydrophobicContact CB-CB 4.13Å; L388-A446 HydrophobicContact CD2-CB 4.31Å; L391-A446 HydrophobicContact CD1-CB 4.25Å; L399-A446 HydrophobicContact CD2-CB 4.02Å; I442-A446 WeakPolarHBondContact O-CB 3.4Å; I442-A446 PolarHBondContact O-N 3.03Å; L443-A446 PolarHBondContact O-N 2.84Å; L443-A446 VanDerWaalsContact O-N 3.17Å; A446-Q448 VanDerWaalsContact C-N 3.32Å; A446-Q448 PolarHBondContact O-N 3.27Å; A446-L449 PolarHBondContact O-N 3.43Å; A446-A450 WeakPolarHBondContact O-CB 3.29Å; A446-A450 PolarHBondContact O-N 2.98Å
447	K	93.6	Very high	91.3	Very high	51 Å²	51	49.8 Å²	49.8	22%	0.222	26%	0.26	C	S	.	.	H	α-helix	trans	-59.8	-39.9	173.8	-66.1	175	74.9	149.6	0	111.9	E378 K379 L381 L443 A450 G451	E378-K447 WeakPolarHBondContact O-CE 3.28Å; E378-K447 PolarHBondContact O-NZ 3.37Å; K379-K447 PolarHBondContact O-NZ 2.9Å; L381-K447 HydrophobicContact CD2-CG 4.2Å; L381-K447 HydrophobicContact CG-CG 4.29Å; L381-K447 WeakPolarHBondContact O-CD 3.21Å; L381-K447 WeakPolarHBondContact O-CE 3.44Å; L381-K447 PolarHBondContact O-NZ 3.22Å; L443-K447 HydrophobicContact CD1-CD 3.99Å; L443-K447 HydrophobicContact CD1-CG 4.18Å; L443-K447 HydrophobicContact CG-CD 3.96Å; L443-K447 HydrophobicContact CG-CG 4.47Å; L443-K447 WeakPolarHBondContact O-CG 3.22Å; L443-K447 PolarHBondContact O-N 3.44Å; K447-A450 PolarHBondContact O-N 2.93Å; K447-G451 PolarHBondContact O-N 3.32Å; K447-G451 VanDerWaalsContact O-N 3.1Å
448	Q	92.7	Very high	92.1	Very high	108 Å²	108	49.9 Å²	49.9	51%	0.505	26%	0.257	S	S	.	.	H	α-helix	trans	-65.4	-35.2	174.8	-78.1	177.3	-17.1	0	0	114	K444 R445 A446	K444-Q448 WeakPolarHBondContact O-CB 3.42Å; K444-Q448 VanDerWaalsContact O-CG 3.28Å; K444-Q448 WeakPolarHBondContact O-CG 3.17Å; K444-Q448 PolarHBondContact O-N 2.77Å; K444-Q448 VanDerWaalsContact O-N 3.11Å; R445-Q448 PolarHBondContact O-N 3.14Å; A446-Q448 VanDerWaalsContact C-N 3.32Å; A446-Q448 PolarHBondContact O-N 3.27Å
449	L	92.2	Very high	92.6	Very high	71 Å²	71	49.2 Å²	49.2	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-75.8	-36.7	173.8	-69.3	172.8	0	0	0	111.9	L391 L399 R445 A446 G451	L391-L449 HydrophobicContact CD1-CD1 4.34Å; L391-L449 HydrophobicContact CD2-CB 3.83Å; L399-L449 HydrophobicContact CB-CD1 3.84Å; L399-L449 HydrophobicContact CD1-CD1 3.99Å; L399-L449 HydrophobicContact CG-CD1 4.35Å; R445-L449 WeakPolarHBondContact O-CG 3.09Å; R445-L449 PolarHBondContact O-N 3.4Å; A446-L449 PolarHBondContact O-N 3.43Å; L449-G451 VanDerWaalsContact C-N 3.3Å; L449-G451 PolarHBondContact O-N 2.93Å
450	A	90.8	Very high	93	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-34.9	178.6	0	0	0	0	0	112.7	Q349 L390 L391 A446 K447	Q349-A450 WeakPolarHBondContact CG-O 3.41Å; Q349-A450 PolarHBondContact NE2-O 3.44Å; L390-A450 HydrophobicContact CD2-CB 3.64Å; L390-A450 HydrophobicContact CG-CB 4.29Å; L391-A450 HydrophobicContact CD2-CB 4.06Å; A446-A450 WeakPolarHBondContact O-CB 3.29Å; A446-A450 PolarHBondContact O-N 2.98Å; K447-A450 PolarHBondContact O-N 2.93Å
451	G	92.1	Very high	93.3	Very high	33 Å²	33	47.2 Å²	47.2	34%	0.34	25%	0.246	S	C	.	.			trans	71	-154.1	-175.4	0	0	0	0	0	112.2	K447 L449 C453	K447-G451 PolarHBondContact O-N 3.32Å; K447-G451 VanDerWaalsContact O-N 3.1Å; L449-G451 VanDerWaalsContact C-N 3.3Å; L449-G451 PolarHBondContact O-N 2.93Å; G451-C453 PolarHBondContact O-N 3.42Å
452	S	93.3	Very high	93.3	Very high	69 Å²	69	44.7 Å²	44.7	48%	0.483	23%	0.234	S	C	.	.	S	Bend	trans	-64.3	124.2	173.5	-177.3	0	0	0	0	110.1	V350	V350-S452 PolarHBondContact N-O 2.84Å
453	C	94.9	Very high	93.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.3	-177.7	58.2	0	0	0	0	111.1	L348 T377 E378 L390 G451	L348-C453 CarbonylContact O-C 3.53Å; L348-C453 WeakPolarHBondContact O-CA 3.07Å; L348-C453 VanDerWaalsContact O-CB 3.31Å; L348-C453 WeakPolarHBondContact O-CB 3.35Å; T377-C453 CarbonylContact C-O 3.56Å; T377-C453 VanDerWaalsContact C-O 3.3Å; E378-C453 VanDerWaalsContact CB-SG 3.54Å; E378-C453 PolarHBondContact N-O 2.84Å; L390-C453 HydrophobicContact CD2-CB 3.71Å; G451-C453 PolarHBondContact O-N 3.42Å
454	V	95.8	Very high	93.6	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.3	-173	-65.8	0	0	0	0	112	W347 L348 V350 L353 L375 Q376	W347-V454 WeakPolarHBondContact CA-O 3.33Å; L348-V454 PolarHBondContact N-O 3.2Å; L348-V454 PolarHBondContact O-N 2.91Å; V350-V454 HydrophobicContact CG2-CG1 3.93Å; V350-V454 HydrophobicContact CG2-CG2 4.07Å; L353-V454 HydrophobicContact CD1-CG2 4.49Å; L375-V454 HydrophobicContact CB-CB 4.45Å; L375-V454 HydrophobicContact CD1-CB 4.07Å; L375-V454 HydrophobicContact CD1-CG1 4.19Å; L375-V454 HydrophobicContact CD1-CG2 4.15Å; L375-V454 HydrophobicContact CD2-CB 4.3Å; L375-V454 HydrophobicContact CD2-CG2 4.48Å; Q376-V454 WeakPolarHBondContact O-CA 3.19Å; Q376-V454 WeakPolarHBondContact O-CB 3.35Å
455	R	95.4	Very high	93.5	Very high	20 Å²	20	38 Å²	38	8%	0.075	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.5	170.8	178.8	175	68.2	-175.6	-13.6	109.2	L345 W347 L375 Q376 E386 S457	L345-R455 HydrophobicContact CD1-CG 3.88Å; W347-R455 HydrophobicContact CD2-CB 3.66Å; W347-R455 HydrophobicContact CE3-CB 3.67Å; W347-R455 HydrophobicContact CG-CB 4.18Å; W347-R455 HydrophobicContact CH2-CB 4.22Å; W347-R455 HydrophobicContact CZ2-CB 4.24Å; W347-R455 HydrophobicContact CZ3-CB 3.95Å; L375-R455 CarbonylContact C-O 3.38Å; L375-R455 WeakPolarHBondContact CA-O 3.36Å; Q376-R455 PolarHBondContact N-O 2.86Å; Q376-R455 PolarHBondContact O-N 3.32Å; Q376-R455 VanDerWaalsContact O-N 3.07Å; Q376-R455 VanDerWaalsContact OE1-CZ 3.29Å; E386-R455 IonicContact OE1-CZ 2.7Å; E386-R455 IonicContact OE1-NH1 2.92Å; E386-R455 PolarHBondContact OE1-NH1 2.79Å; E386-R455 IonicContact OE2-CZ 3.15Å; E386-R455 IonicContact OE2-NH1 2.77Å; E386-R455 PolarHBondContact OE2-NH1 2.64Å; E386-R455 IonicContact OE2-NH2 2.82Å; R455-S457 PolarHBondContact O-N 3.49Å
456	L	95.3	Very high	93.4	Very high	8 Å²	8	32.7 Å²	32.7	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.1	171.9	-65.2	166.7	0	0	0	111.8	Y337 L340 F341 L345 L375 R458	Y337-L456 HydrophobicContact CD2-CD2 3.77Å; Y337-L456 HydrophobicContact CE2-CD2 3.47Å; Y337-L456 VanDerWaalsContact CE2-CD2 3.47Å; L340-L456 HydrophobicContact CB-CD1 4.38Å; L340-L456 HydrophobicContact CB-CD2 3.98Å; L340-L456 HydrophobicContact CB-CG 4.28Å; F341-L456 HydrophobicContact CB-CD1 4.46Å; L345-L456 HydrophobicContact CD1-CB 3.84Å; L345-L456 HydrophobicContact CD1-CD1 4.48Å; L375-L456 HydrophobicContact CD2-CD2 4Å; L375-L456 HydrophobicContact CD2-CG 4.45Å; L456-R458 PolarHBondContact O-N 3.47Å
457	S	95.4	Very high	93.4	Very high	16 Å²	16	32.7 Å²	32.7	11%	0.112	19%	0.186	C	C	.	.			trans	-62.3	126.8	171.9	-66.6	0	0	0	0	110.7	G373 F374 R455 G459 R461	G373-S457 WeakPolarHBondContact O-CB 3.28Å; G373-S457 PolarHBondContact O-OG 3.12Å; F374-S457 PolarHBondContact O-N 2.7Å; R455-S457 PolarHBondContact O-N 3.49Å; S457-G459 VanDerWaalsContact C-N 3.29Å; S457-G459 PolarHBondContact O-N 3.06Å; S457-R461 WeakPolarHBondContact O-CB 3.45Å; S457-R461 PolarHBondContact O-N 2.68Å
458	R	92.4	Very high	93.2	Very high	151 Å²	151	30.6 Å²	30.6	57%	0.57	18%	0.177	S	C	*	.	H	α-helix	trans	-62.6	-34.7	-173.2	-63.2	-170.9	-177	-159.3	2.6	112.9	L345 E386 L456 A462	L345-R458 HydrophobicContact CD2-CG 4.43Å; E386-R458 IonicContact OE1-NH2 2.75Å; L456-R458 PolarHBondContact O-N 3.47Å; R458-A462 WeakPolarHBondContact O-CB 3.29Å; R458-A462 PolarHBondContact O-N 3.33Å
459	G	93.7	Very high	92.9	Very high	48 Å²	48	25.8 Å²	25.8	50%	0.495	16%	0.155	S	C	.	.	H	α-helix	trans	-59.2	-69.9	178.4	0	0	0	0	0	112.7	S457 R461 A462 V463	S457-G459 VanDerWaalsContact C-N 3.29Å; S457-G459 PolarHBondContact O-N 3.06Å; G459-R461 VanDerWaalsContact C-N 3.28Å; G459-R461 PolarHBondContact O-N 2.96Å; G459-A462 PolarHBondContact O-N 3.37Å; G459-V463 PolarHBondContact O-N 3.3Å
460	P	94.8	Very high	92.8	Very high	26 Å²	26	22.6 Å²	22.6	17%	0.169	14%	0.138	C	C	.	.	H	α-helix	trans	-53.9	-41.4	176.7	-28.3	35.7	0	0	0	113.1	A322 F374 A462 V463 F464	A322-P460 HydrophobicContact CB-CB 4.18Å; A322-P460 HydrophobicContact CB-CG 4.42Å; F374-P460 HydrophobicContact CD1-CB 3.73Å; F374-P460 HydrophobicContact CD1-CG 4.3Å; F374-P460 HydrophobicContact CE1-CB 3.78Å; F374-P460 HydrophobicContact CE1-CG 4.43Å; P460-A462 VanDerWaalsContact C-N 3.31Å; P460-A462 PolarHBondContact O-N 3.29Å; P460-V463 WeakPolarHBondContact O-CB 3.36Å; P460-V463 PolarHBondContact O-N 3.36Å; P460-F464 HydrophobicContact CB-CE2 4.3Å; P460-F464 WeakPolarHBondContact O-CD2 3.25Å; P460-F464 WeakPolarHBondContact O-CE2 3.2Å; P460-F464 PolarHBondContact O-N 3.14Å
461	R	93.1	Very high	92.6	Very high	15 Å²	15	23.2 Å²	23.2	6%	0.057	14%	0.141	C	C	.	.	H	α-helix	trans	-56	-45.2	176	-179.7	178.1	175.5	85.1	-4.7	112	F341 S457 G459 V463 F464 S465 M482 A483	F341-R461 HydrophobicContact CD2-CG 4.02Å; F341-R461 HydrophobicContact CE2-CG 3.76Å; F341-R461 PolarHBondContact O-NH1 2.86Å; S457-R461 WeakPolarHBondContact O-CB 3.45Å; S457-R461 PolarHBondContact O-N 2.68Å; G459-R461 VanDerWaalsContact C-N 3.28Å; G459-R461 PolarHBondContact O-N 2.96Å; R461-V463 VanDerWaalsContact C-N 3.29Å; R461-V463 PolarHBondContact O-N 3.44Å; R461-F464 PolarHBondContact O-N 3.11Å; R461-S465 WeakPolarHBondContact O-CB 3.42Å; R461-S465 PolarHBondContact O-N 3.47Å; R461-S465 PolarHBondContact O-OG 3.49Å; R461-M482 PolarHBondContact NH2-O 3.38Å; R461-A483 PolarHBondContact NH2-O 2.96Å; R461-A483 VanDerWaalsContact NH2-O 3.07Å
462	A	92	Very high	92.1	Very high	23 Å²	23	22 Å²	22	19%	0.19	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-32.9	-178	0	0	0	0	0	112.4	R458 G459 P460 S465 R466	R458-A462 WeakPolarHBondContact O-CB 3.29Å; R458-A462 PolarHBondContact O-N 3.33Å; G459-A462 PolarHBondContact O-N 3.37Å; P460-A462 VanDerWaalsContact C-N 3.31Å; P460-A462 PolarHBondContact O-N 3.29Å; A462-S465 PolarHBondContact O-N 2.76Å; A462-R466 PolarHBondContact O-N 3.39Å; A462-R466 PolarHBondContact O-NH1 3.42Å
463	V	95.4	Very high	91.3	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.03	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-55.7	172.9	-177.9	0	0	0	0	110.5	F315 D319 A322 V323 G459 P460 R461 S465 R466 I467	F315-V463 HydrophobicContact CD1-CG1 4.17Å; F315-V463 HydrophobicContact CE1-CG1 4.27Å; D319-V463 HydrophobicContact CB-CG1 3.96Å; D319-V463 HydrophobicContact CB-CG2 3.95Å; A322-V463 HydrophobicContact CB-CG2 4.22Å; V323-V463 HydrophobicContact CG2-CG1 4.25Å; G459-V463 PolarHBondContact O-N 3.3Å; P460-V463 WeakPolarHBondContact O-CB 3.36Å; P460-V463 PolarHBondContact O-N 3.36Å; R461-V463 VanDerWaalsContact C-N 3.29Å; R461-V463 PolarHBondContact O-N 3.44Å; V463-S465 VanDerWaalsContact C-N 3.33Å; V463-S465 PolarHBondContact O-N 3.37Å; V463-R466 PolarHBondContact O-N 3.38Å; V463-R466 VanDerWaalsContact O-N 3.16Å; V463-I467 HydrophobicContact CG1-CD1 4.16Å; V463-I467 WeakPolarHBondContact O-CG1 3.49Å; V463-I467 PolarHBondContact O-N 2.75Å
464	F	93.8	Very high	90	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66	-34.7	179.3	-54.7	-70.4	0	0	0	112.2	F298 L302 F326 Y337 F341 F374 P460 R461 R466 I467 L468	F298-F464 HydrophobicContact CE1-CD1 4.15Å; F298-F464 HydrophobicContact CE1-CE1 4.4Å; F298-F464 HydrophobicContact CE2-CB 4.36Å; F298-F464 HydrophobicContact CZ-CB 4Å; F298-F464 AromaticContact CZ-CD1 3.66Å; F298-F464 HydrophobicContact CZ-CD1 3.66Å; F298-F464 HydrophobicContact CZ-CD2 4.48Å; F298-F464 HydrophobicContact CZ-CE1 4.31Å; F298-F464 AromaticContact CZ-CG 3.78Å; F298-F464 HydrophobicContact CZ-CG 3.78Å; L302-F464 HydrophobicContact CD1-CE1 4.3Å; L302-F464 HydrophobicContact CD2-CD1 3.71Å; L302-F464 HydrophobicContact CD2-CE1 3.89Å; F326-F464 HydrophobicContact CB-CE1 4.38Å; F326-F464 HydrophobicContact CB-CZ 3.79Å; F326-F464 HydrophobicContact CG-CE1 4.47Å; F326-F464 HydrophobicContact CG-CZ 4.16Å; Y337-F464 AromaticContact CE1-CD2 3.81Å; Y337-F464 HydrophobicContact CE1-CD2 3.81Å; Y337-F464 AromaticContact CE1-CE2 3.85Å; Y337-F464 HydrophobicContact CE1-CE2 3.85Å; Y337-F464 AromaticContact CZ-CD2 3.92Å; Y337-F464 AromaticContact CZ-CE2 3.92Å; Y337-F464 VanDerWaalsContact OH-CD2 3.3Å; Y337-F464 WeakPolarHBondContact OH-CD2 3.46Å; F341-F464 HydrophobicContact CD2-CB 4.48Å; F341-F464 HydrophobicContact CE2-CB 3.61Å; F341-F464 HydrophobicContact CZ-CB 3.64Å; F374-F464 AromaticContact CE1-CE2 3.92Å; F374-F464 HydrophobicContact CE1-CE2 3.92Å; F374-F464 HydrophobicContact CE1-CZ 4.18Å; P460-F464 HydrophobicContact CB-CE2 4.3Å; P460-F464 WeakPolarHBondContact O-CD2 3.25Å; P460-F464 WeakPolarHBondContact O-CE2 3.2Å; P460-F464 PolarHBondContact O-N 3.14Å; R461-F464 PolarHBondContact O-N 3.11Å; F464-R466 VanDerWaalsContact C-N 3.31Å; F464-R466 PolarHBondContact O-N 3.34Å; F464-I467 HydrophobicContact CD1-CD1 4.41Å; F464-I467 PolarHBondContact O-N 2.73Å; F464-I467 VanDerWaalsContact O-N 3.16Å; F464-L468 WeakPolarHBondContact O-CD1 3.46Å; F464-L468 PolarHBondContact O-N 3.09Å
465	S	90.3	Very high	88.5	Confident	23 Å²	23	24.6 Å²	24.6	16%	0.161	14%	0.137	C	C	.	.	H	α-helix	trans	-60.6	-38	173	-70	0	0	0	0	112.7	R461 A462 V463 L469	R461-S465 WeakPolarHBondContact O-CB 3.42Å; R461-S465 PolarHBondContact O-N 3.47Å; R461-S465 PolarHBondContact O-OG 3.49Å; A462-S465 PolarHBondContact O-N 2.76Å; V463-S465 VanDerWaalsContact C-N 3.33Å; V463-S465 PolarHBondContact O-N 3.37Å; S465-L469 WeakPolarHBondContact O-CB 3.37Å; S465-L469 PolarHBondContact O-N 2.77Å
466	R	92.2	Very high	86.4	Confident	13 Å²	13	29.5 Å²	29.5	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-68.7	-37.8	171.7	-76.1	-170.7	-66.3	-81.2	6.2	112.7	F315 D319 A462 V463 F464 L469 L470 L521 E525	F315-R466 HydrophobicContact CE1-CB 3.92Å; F315-R466 HydrophobicContact CZ-CB 4.14Å; D319-R466 IonicContact OD1-NH2 3.16Å; D319-R466 PolarHBondContact OD1-NH2 3.09Å; D319-R466 VanDerWaalsContact OD1-NH2 3.08Å; A462-R466 PolarHBondContact O-N 3.39Å; A462-R466 PolarHBondContact O-NH1 3.42Å; V463-R466 PolarHBondContact O-N 3.38Å; V463-R466 VanDerWaalsContact O-N 3.16Å; F464-R466 VanDerWaalsContact C-N 3.31Å; F464-R466 PolarHBondContact O-N 3.34Å; R466-L469 WeakPolarHBondContact O-CB 3.33Å; R466-L469 PolarHBondContact O-N 3.07Å; R466-L470 WeakPolarHBondContact O-CG 3.48Å; R466-L470 PolarHBondContact O-N 2.91Å; R466-L521 HydrophobicContact CB-CD2 4.11Å; R466-L521 HydrophobicContact CG-CD2 4.28Å; R466-L521 HydrophobicContact CG-CG 4.28Å; R466-E525 HydrophobicContact CG-CG 4.38Å; R466-E525 VanDerWaalsContact CG-OE2 3.23Å; R466-E525 WeakPolarHBondContact CG-OE2 3.43Å; R466-E525 IonicContact CZ-OE2 3.14Å; R466-E525 IonicContact NH1-OE2 2.7Å; R466-E525 PolarHBondContact NH1-OE2 3.07Å
467	I	92.4	Very high	84.3	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-46.1	175.5	-66	171.3	0	0	0	111	V301 L302 V305 L306 F315 V323 V463 F464 L469 L470 F471	V301-I467 HydrophobicContact CG1-CG2 4.18Å; L302-I467 HydrophobicContact CD2-CD1 3.56Å; L302-I467 HydrophobicContact CD2-CG2 4.12Å; V305-I467 HydrophobicContact CB-CG2 3.86Å; V305-I467 HydrophobicContact CG1-CG2 4.06Å; V305-I467 HydrophobicContact CG2-CG2 3.98Å; L306-I467 HydrophobicContact CD1-CD1 4.22Å; L306-I467 HydrophobicContact CD2-CD1 4.3Å; L306-I467 HydrophobicContact CG-CD1 4.43Å; F315-I467 HydrophobicContact CE1-CD1 4.37Å; F315-I467 HydrophobicContact CE1-CG1 3.69Å; F315-I467 HydrophobicContact CE2-CG1 4.06Å; F315-I467 HydrophobicContact CZ-CB 4.41Å; F315-I467 HydrophobicContact CZ-CD1 4.38Å; F315-I467 HydrophobicContact CZ-CG1 3.37Å; V323-I467 HydrophobicContact CG2-CD1 4.15Å; V463-I467 HydrophobicContact CG1-CD1 4.16Å; V463-I467 WeakPolarHBondContact O-CG1 3.49Å; V463-I467 PolarHBondContact O-N 2.75Å; F464-I467 HydrophobicContact CD1-CD1 4.41Å; F464-I467 PolarHBondContact O-N 2.73Å; F464-I467 VanDerWaalsContact O-N 3.16Å; I467-L469 VanDerWaalsContact C-N 3.31Å; I467-L469 PolarHBondContact O-N 3.39Å; I467-L470 PolarHBondContact O-N 3.45Å; I467-F471 PolarHBondContact O-N 2.81Å
468	L	88.7	Confident	82.1	Confident	6 Å²	6	33.1 Å²	33.1	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-31.3	176.8	-81.9	82.5	0	0	0	112.6	F298 V301 F341 F464 F471 S472 G485	F298-L468 HydrophobicContact CD2-CD1 4.43Å; F298-L468 HydrophobicContact CE2-CD1 3.99Å; V301-L468 HydrophobicContact CG1-CD1 4.23Å; V301-L468 HydrophobicContact CG1-CG 4.05Å; F341-L468 HydrophobicContact CE1-CD1 4.15Å; F341-L468 HydrophobicContact CE1-CD2 4.21Å; F341-L468 HydrophobicContact CZ-CD1 4.31Å; F464-L468 WeakPolarHBondContact O-CD1 3.46Å; F464-L468 PolarHBondContact O-N 3.09Å; L468-F471 PolarHBondContact O-N 3.07Å; L468-S472 PolarHBondContact O-N 3.19Å; L468-G485 WeakPolarHBondContact CD2-O 3.36Å
469	L	87.4	Confident	79.8	Confident	7 Å²	7	29.3 Å²	29.3	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-44.7	171.8	173.7	60.5	0	0	0	112.2	S465 R466 I467 F471 S472 L473 M477 L521 Y524	S465-L469 WeakPolarHBondContact O-CB 3.37Å; S465-L469 PolarHBondContact O-N 2.77Å; R466-L469 WeakPolarHBondContact O-CB 3.33Å; R466-L469 PolarHBondContact O-N 3.07Å; I467-L469 VanDerWaalsContact C-N 3.31Å; I467-L469 PolarHBondContact O-N 3.39Å; L469-F471 VanDerWaalsContact C-N 3.34Å; L469-S472 CarbonylContact O-C 3.59Å; L469-S472 VanDerWaalsContact O-C 3.24Å; L469-S472 PolarHBondContact O-N 3.01Å; L469-L473 HydrophobicContact CD1-CD2 4.22Å; L469-L473 HydrophobicContact CG-CD2 4.28Å; L469-L473 WeakPolarHBondContact O-CD2 3.43Å; L469-L473 PolarHBondContact O-N 3.48Å; L469-L473 VanDerWaalsContact O-N 3.14Å; L469-M477 HydrophobicContact CD1-CE 4.4Å; L469-M477 HydrophobicContact CD1-SD 3.87Å; L469-L521 HydrophobicContact CD2-CD1 4.18Å; L469-Y524 HydrophobicContact CD1-CE1 4.24Å; L469-Y524 HydrophobicContact CD2-CD1 4.09Å; L469-Y524 HydrophobicContact CD2-CE1 4.21Å
470	L	89.6	Confident	77.7	Confident	4 Å²	4	32 Å²	32	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-36.5	176.1	-69.2	172.6	0	0	0	112.1	V305 D311 L314 F315 R466 I467 S472 F515 L521	V305-L470 HydrophobicContact CG1-CB 3.93Å; V305-L470 HydrophobicContact CG1-CD1 4.01Å; D311-L470 HydrophobicContact CB-CD1 4.09Å; L314-L470 HydrophobicContact CD1-CD1 4.07Å; L314-L470 HydrophobicContact CD1-CD2 3.92Å; F315-L470 HydrophobicContact CE2-CD1 3.59Å; F315-L470 HydrophobicContact CZ-CD1 3.73Å; R466-L470 WeakPolarHBondContact O-CG 3.48Å; R466-L470 PolarHBondContact O-N 2.91Å; I467-L470 PolarHBondContact O-N 3.45Å; L470-S472 VanDerWaalsContact C-N 3.31Å; L470-S472 PolarHBondContact O-N 3.36Å; L470-F515 HydrophobicContact CD2-CD2 3.9Å; L470-F515 HydrophobicContact CD2-CE2 3.72Å; L470-L521 HydrophobicContact CD1-CD2 3.86Å; L470-L521 HydrophobicContact CD2-CD1 4.01Å; L470-L521 HydrophobicContact CD2-CD2 4.24Å; L470-L521 HydrophobicContact CG-CD1 4.4Å; L470-L521 HydrophobicContact CG-CD2 4.14Å
471	F	86.8	Confident	75.8	Confident	14 Å²	14	32.1 Å²	32.1	6%	0.061	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-40.9	176.3	-176.7	-93.9	0	0	0	112.3	V301 A304 V305 I467 L468 L469 Q489 I493 N784 Y786	V301-F471 HydrophobicContact CB-CD2 4.22Å; V301-F471 HydrophobicContact CB-CE2 4.49Å; V301-F471 HydrophobicContact CB-CG 4.47Å; V301-F471 HydrophobicContact CG1-CB 3.79Å; V301-F471 HydrophobicContact CG1-CD1 4.46Å; V301-F471 HydrophobicContact CG1-CD2 3.83Å; V301-F471 HydrophobicContact CG1-CG 3.77Å; V301-F471 HydrophobicContact CG2-CD1 4.22Å; V301-F471 HydrophobicContact CG2-CD2 4.05Å; V301-F471 HydrophobicContact CG2-CE1 4.17Å; V301-F471 HydrophobicContact CG2-CE2 4Å; V301-F471 HydrophobicContact CG2-CG 4.16Å; V301-F471 HydrophobicContact CG2-CZ 4.06Å; A304-F471 HydrophobicContact CB-CD2 4.39Å; A304-F471 HydrophobicContact CB-CE2 4.2Å; V305-F471 HydrophobicContact CG2-CB 3.77Å; V305-F471 HydrophobicContact CG2-CD2 4.15Å; V305-F471 HydrophobicContact CG2-CG 4.48Å; I467-F471 PolarHBondContact O-N 2.81Å; L468-F471 PolarHBondContact O-N 3.07Å; L469-F471 VanDerWaalsContact C-N 3.34Å; F471-Q489 HydrophobicContact CD1-CB 4.11Å; F471-Q489 HydrophobicContact CD1-CG 4.05Å; F471-Q489 HydrophobicContact CE1-CB 4.21Å; F471-Q489 HydrophobicContact CE1-CG 4.46Å; F471-I493 HydrophobicContact CE1-CD1 3.91Å; F471-I493 HydrophobicContact CE1-CG1 4.34Å; F471-I493 HydrophobicContact CE2-CD1 4.37Å; F471-I493 HydrophobicContact CZ-CD1 3.57Å; F471-I493 HydrophobicContact CZ-CG1 4Å; F471-N784 PolarHBondContact O-ND2 3.08Å; F471-Y786 HydrophobicContact CE1-CD2 4.04Å; F471-Y786 HydrophobicContact CE1-CE2 4.34Å; F471-Y786 HydrophobicContact CE2-CD2 4.11Å; F471-Y786 AromaticContact CE2-CE2 3.76Å; F471-Y786 HydrophobicContact CE2-CE2 3.76Å; F471-Y786 AromaticContact CZ-CD2 3.45Å; F471-Y786 HydrophobicContact CZ-CD2 3.45Å; F471-Y786 VanDerWaalsContact CZ-CD2 3.45Å; F471-Y786 AromaticContact CZ-CE2 3.34Å; F471-Y786 HydrophobicContact CZ-CE2 3.34Å; F471-Y786 HydrophobicContact CZ-CG 4.36Å
472	S	80.8	Confident	74	Confident	9 Å²	9	33.3 Å²	33.3	6%	0.063	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.7	79.9	177.1	-165.5	0	0	0	0	112.6	L468 L469 L470 T474 D475	L468-S472 PolarHBondContact O-N 3.19Å; L469-S472 CarbonylContact O-C 3.59Å; L469-S472 VanDerWaalsContact O-C 3.24Å; L469-S472 PolarHBondContact O-N 3.01Å; L470-S472 VanDerWaalsContact C-N 3.31Å; L470-S472 PolarHBondContact O-N 3.36Å; S472-T474 PolarHBondContact O-N 2.93Å; S472-T474 PolarHBondContact OG-OG1 2.91Å; S472-D475 WeakPolarHBondContact CB-OD2 3.42Å; S472-D475 PolarHBondContact O-N 3.03Å; S472-D475 PolarHBondContact OG-OD1 3.39Å; S472-D475 PolarHBondContact OG-OD2 3.31Å
473	L	77.8	Confident	72	Confident	24 Å²	24	33 Å²	33	13%	0.126	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23	172.4	-66.7	169.9	0	0	0	112.8	L469 F515 F579	L469-L473 HydrophobicContact CD1-CD2 4.22Å; L469-L473 HydrophobicContact CG-CD2 4.28Å; L469-L473 WeakPolarHBondContact O-CD2 3.43Å; L469-L473 PolarHBondContact O-N 3.48Å; L469-L473 VanDerWaalsContact O-N 3.14Å; L473-F515 HydrophobicContact CD2-CE2 3.96Å; L473-F515 HydrophobicContact CD2-CZ 4.04Å; L473-F579 HydrophobicContact CB-CD1 4.26Å; L473-F579 HydrophobicContact CB-CE1 4.38Å; L473-F579 HydrophobicContact CB-CG 4.45Å; L473-F579 WeakPolarHBondContact O-CD1 3.23Å; L473-F579 WeakPolarHBondContact O-CE1 3.25Å
474	T	66.6	Low	70.2	Confident	48 Å²	48	33.6 Å²	33.6	29%	0.294	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-28.1	-177.1	36.5	0	0	0	0	114.8	S472 T476 Q787 L791	S472-T474 PolarHBondContact O-N 2.93Å; S472-T474 PolarHBondContact OG-OG1 2.91Å; T474-T476 PolarHBondContact O-N 2.77Å; T474-Q787 HydrophobicContact CG2-CG 4.36Å; T474-L791 HydrophobicContact CG2-CD2 3.17Å
475	D	64	Low	68.6	Low	56 Å²	56	33.8 Å²	33.8	30%	0.299	19%	0.186	S	C	.	.	S	Bend	trans	-68.6	123.1	-179.4	-66.6	-30.5	0	0	0	108.9	S472 M477 Q489	S472-D475 WeakPolarHBondContact CB-OD2 3.42Å; S472-D475 PolarHBondContact O-N 3.03Å; S472-D475 PolarHBondContact OG-OD1 3.39Å; S472-D475 PolarHBondContact OG-OD2 3.31Å; D475-M477 PolarHBondContact O-N 3.3Å; D475-Q489 PolarHBondContact OD2-NE2 2.9Å
476	T	51.7	Low	67.5	Low	124 Å²	124	33 Å²	33	76%	0.761	18%	0.182	S	C	*	.			trans	-78.7	71.2	-173.1	55.6	0	0	0	0	111.5	T474 D478	T474-T476 PolarHBondContact O-N 2.77Å; T476-D478 PolarHBondContact O-N 2.69Å
477	M	50.6	Low	66.6	Low	28 Å²	28	36.1 Å²	36.1	14%	0.138	20%	0.196	C	C	.	.			trans	-29.8	105.4	-175.1	-66.5	-163.1	121.4	0	0	113.1	L469 D475 E481 M482 M528 I532	L469-M477 HydrophobicContact CD1-CE 4.4Å; L469-M477 HydrophobicContact CD1-SD 3.87Å; D475-M477 PolarHBondContact O-N 3.3Å; M477-E481 VanDerWaalsContact CA-OE2 3.23Å; M477-E481 WeakPolarHBondContact CA-OE2 3.04Å; M477-M482 HydrophobicContact CB-CG 4.11Å; M477-M482 HydrophobicContact CE-CE 4.32Å; M477-M482 HydrophobicContact CE-CG 4.15Å; M477-M482 HydrophobicContact SD-CE 3.94Å; M477-M482 HydrophobicContact SD-CG 3.97Å; M477-M482 HydrophobicContact SD-SD 4.37Å; M477-M528 HydrophobicContact CB-CE 4.48Å; M477-I532 HydrophobicContact CB-CD1 4.23Å; M477-I532 VanDerWaalsContact O-CD1 3.29Å; M477-I532 WeakPolarHBondContact O-CD1 3.05Å
478	D	50.1	Low	65.6	Low	71 Å²	71	39.1 Å²	39.1	38%	0.38	21%	0.212	S	C	.	.			trans	-89.7	177.6	168.6	78.8	30	0	0	0	112	T476 E480 E481 M482	T476-D478 PolarHBondContact O-N 2.69Å; D478-E480 VanDerWaalsContact C-N 3.3Å; D478-E480 PolarHBondContact O-N 3.47Å; D478-E480 WeakPolarHBondContact OD1-CA 3.39Å; D478-E480 WeakPolarHBondContact OD1-CB 3.15Å; D478-E480 PolarHBondContact OD1-N 3.42Å; D478-E481 PolarHBondContact N-OE2 2.96Å; D478-E481 VanDerWaalsContact N-OE2 3.08Å; D478-E481 PolarHBondContact O-N 3.04Å; D478-E481 PolarHBondContact OD1-N 2.94Å; D478-M482 PolarHBondContact O-N 3.13Å; D478-M482 VanDerWaalsContact O-N 3.08Å
479	E	43.5	Very low	65	Low	72 Å²	72	39.2 Å²	39.2	34%	0.336	21%	0.213	S	C	.	.	H	α-helix	trans	-66.5	-33.4	-179.4	-159.5	-142.4	139.3	0	0	112.3	K344 A483 I532 V536	K344-E479 IonicContact NZ-OE1 2.77Å; K344-E479 PolarHBondContact NZ-OE1 3.33Å; E479-A483 WeakPolarHBondContact O-CB 3.34Å; E479-A483 PolarHBondContact O-N 3.22Å; E479-A483 VanDerWaalsContact O-N 3.07Å; E479-I532 HydrophobicContact CB-CG2 3.77Å; E479-I532 HydrophobicContact CG-CG2 3.94Å; E479-V536 HydrophobicContact CB-CG2 3.76Å; E479-V536 HydrophobicContact CG-CG2 3.8Å; E479-V536 WeakPolarHBondContact OE2-CG1 3.38Å; E479-V536 WeakPolarHBondContact OE2-CG2 3.02Å
480	E	49.7	Very low	64.6	Low	103 Å²	103	39 Å²	39	48%	0.481	21%	0.211	S	C	.	.	H	α-helix	trans	-72.5	-38.5	177.6	-61.9	-162.6	168.7	0	0	110.1	S149 D478 A483 A484	S149-E480 VanDerWaalsContact CB-OE1 3.28Å; S149-E480 WeakPolarHBondContact CB-OE1 3.35Å; S149-E480 WeakPolarHBondContact CB-OE2 3.47Å; S149-E480 PolarHBondContact OG-OE1 3.08Å; D478-E480 VanDerWaalsContact C-N 3.3Å; D478-E480 PolarHBondContact O-N 3.47Å; D478-E480 WeakPolarHBondContact OD1-CA 3.39Å; D478-E480 WeakPolarHBondContact OD1-CB 3.15Å; D478-E480 PolarHBondContact OD1-N 3.42Å; E480-A483 PolarHBondContact O-N 2.86Å; E480-A484 WeakPolarHBondContact O-CA 3.34Å; E480-A484 WeakPolarHBondContact O-CB 3.26Å; E480-A484 PolarHBondContact O-N 3.2Å
481	E	55.6	Low	64	Low	29 Å²	29	40.8 Å²	40.8	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-47.9	176.1	-70	-177.5	140.1	0	0	113.5	M477 D478 A483 A484 G485 G486 N488	M477-E481 VanDerWaalsContact CA-OE2 3.23Å; M477-E481 WeakPolarHBondContact CA-OE2 3.04Å; D478-E481 PolarHBondContact N-OE2 2.96Å; D478-E481 VanDerWaalsContact N-OE2 3.08Å; D478-E481 PolarHBondContact O-N 3.04Å; D478-E481 PolarHBondContact OD1-N 2.94Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.48Å; E481-A484 PolarHBondContact O-N 3.5Å; E481-G485 PolarHBondContact O-N 3.22Å; E481-G486 PolarHBondContact O-N 3.23Å; E481-N488 WeakPolarHBondContact CG-ND2 3.37Å; E481-N488 PolarHBondContact OE1-ND2 3.44Å
482	M	54.2	Low	63.6	Low	40 Å²	40	41.1 Å²	41.1	20%	0.197	22%	0.222	C	C	.	.	H	α-helix	trans	-64.1	-35.8	174.3	-73.2	-151.4	99.6	0	0	111.9	R461 M477 D478 R529 I532	R461-M482 PolarHBondContact NH2-O 3.38Å; M477-M482 HydrophobicContact CB-CG 4.11Å; M477-M482 HydrophobicContact CE-CE 4.32Å; M477-M482 HydrophobicContact CE-CG 4.15Å; M477-M482 HydrophobicContact SD-CE 3.94Å; M477-M482 HydrophobicContact SD-CG 3.97Å; M477-M482 HydrophobicContact SD-SD 4.37Å; D478-M482 PolarHBondContact O-N 3.13Å; D478-M482 VanDerWaalsContact O-N 3.08Å; M482-R529 HydrophobicContact SD-CB 4.46Å; M482-R529 HydrophobicContact SD-CG 4.46Å; M482-I532 HydrophobicContact CG-CD1 3.77Å; M482-I532 HydrophobicContact SD-CD1 3.38Å; M482-I532 WeakPolarHBondContact SD-CD1 3.49Å
483	A	51.6	Low	63.7	Low	18 Å²	18	40.7 Å²	40.7	15%	0.149	22%	0.219	C	C	.	.	H	α-helix	trans	-70.1	-40.8	176.1	0	0	0	0	0	112.3	R343 K344 R461 E479 E480 E481 G485	R343-A483 CarbonylContact C-O 3.55Å; K344-A483 WeakPolarHBondContact CA-O 3.08Å; K344-A483 HydrophobicContact CB-CB 4Å; K344-A483 HydrophobicContact CD-CB 3.95Å; K344-A483 HydrophobicContact CG-CB 3.87Å; K344-A483 PolarHBondContact N-O 3.07Å; R461-A483 PolarHBondContact NH2-O 2.96Å; R461-A483 VanDerWaalsContact NH2-O 3.07Å; E479-A483 WeakPolarHBondContact O-CB 3.34Å; E479-A483 PolarHBondContact O-N 3.22Å; E479-A483 VanDerWaalsContact O-N 3.07Å; E480-A483 PolarHBondContact O-N 2.86Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.48Å; A483-G485 VanDerWaalsContact C-N 3.3Å; A483-G485 PolarHBondContact O-N 3.19Å
484	A	56.4	Low	63.9	Low	17 Å²	17	39.6 Å²	39.6	14%	0.14	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	12.7	-174.1	0	0	0	0	0	114.1	Q342 E480 E481 G486 Q487	Q342-A484 CarbonylContact C-O 3.51Å; Q342-A484 VanDerWaalsContact CA-O 3.28Å; Q342-A484 WeakPolarHBondContact CA-O 3.46Å; Q342-A484 WeakPolarHBondContact O-CA 3.39Å; E480-A484 WeakPolarHBondContact O-CA 3.34Å; E480-A484 WeakPolarHBondContact O-CB 3.26Å; E480-A484 PolarHBondContact O-N 3.2Å; E481-A484 PolarHBondContact O-N 3.5Å; A484-G486 VanDerWaalsContact C-N 3.27Å; A484-G486 PolarHBondContact O-N 3.16Å; A484-Q487 HydrophobicContact CB-CB 4.3Å; A484-Q487 HydrophobicContact CB-CG 4.27Å; A484-Q487 WeakPolarHBondContact O-CG 3.45Å; A484-Q487 PolarHBondContact O-N 3.05Å
485	G	61.3	Low	64.6	Low	4 Å²	4	37.3 Å²	37.3	4%	0.041	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.3	171	0	0	0	0	0	113.1	F341 L468 E481 A483 Q487	F341-G485 WeakPolarHBondContact CD1-O 3.2Å; F341-G485 WeakPolarHBondContact CE1-O 3.42Å; L468-G485 WeakPolarHBondContact CD2-O 3.36Å; E481-G485 PolarHBondContact O-N 3.22Å; A483-G485 VanDerWaalsContact C-N 3.3Å; A483-G485 PolarHBondContact O-N 3.19Å; G485-Q487 PolarHBondContact O-N 3.28Å
486	G	67.4	Low	65.5	Low	7 Å²	7	36.6 Å²	36.6	7%	0.072	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	34.7	176.2	0	0	0	0	0	115.7	E481 A484 N488 Q489 L490	E481-G486 PolarHBondContact O-N 3.23Å; A484-G486 VanDerWaalsContact C-N 3.27Å; A484-G486 PolarHBondContact O-N 3.16Å; G486-N488 PolarHBondContact O-N 3.19Å; G486-N488 VanDerWaalsContact O-N 3.12Å; G486-Q489 PolarHBondContact O-N 3.43Å; G486-Q489 VanDerWaalsContact O-N 3.16Å; G486-Q489 PolarHBondContact O-OE1 3.07Å; G486-L490 WeakPolarHBondContact O-CG 3.39Å; G486-L490 PolarHBondContact O-N 3.06Å
487	Q	71.6	Confident	66.9	Low	77 Å²	77	34.5 Å²	34.5	36%	0.36	18%	0.182	S	C	.	.	H	α-helix	trans	-46.3	-37.3	167.3	-88	-173.9	-27.2	0	0	112.7	Q342 A484 G485 L490 F491	Q342-Q487 HydrophobicContact CB-CG 3.71Å; Q342-Q487 HydrophobicContact CG-CG 3.73Å; A484-Q487 HydrophobicContact CB-CB 4.3Å; A484-Q487 HydrophobicContact CB-CG 4.27Å; A484-Q487 WeakPolarHBondContact O-CG 3.45Å; A484-Q487 PolarHBondContact O-N 3.05Å; G485-Q487 PolarHBondContact O-N 3.28Å; Q487-L490 PolarHBondContact O-N 3.22Å; Q487-F491 WeakPolarHBondContact O-CB 3.38Å; Q487-F491 PolarHBondContact O-N 3.05Å
488	N	71.4	Confident	68.2	Low	63 Å²	63	35.2 Å²	35.2	34%	0.337	19%	0.189	S	C	.	.	H	α-helix	trans	-65.4	-47.6	179.5	-70	-5.3	0	0	0	112.5	E481 G486 L490 F491 T492	E481-N488 WeakPolarHBondContact CG-ND2 3.37Å; E481-N488 PolarHBondContact OE1-ND2 3.44Å; G486-N488 PolarHBondContact O-N 3.19Å; G486-N488 VanDerWaalsContact O-N 3.12Å; N488-L490 VanDerWaalsContact C-N 3.35Å; N488-L490 PolarHBondContact O-N 2.71Å; N488-F491 PolarHBondContact O-N 2.9Å; N488-T492 PolarHBondContact O-N 3.49Å; N488-T492 PolarHBondContact O-OG1 2.83Å; N488-T492 VanDerWaalsContact O-OG1 3.12Å
489	Q	76.7	Confident	69.5	Low	9 Å²	9	35.2 Å²	35.2	4%	0.042	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-43.7	176.1	-66.4	87.4	23.8	0	0	111.5	F471 D475 G486 F491 T492 I493	F471-Q489 HydrophobicContact CD1-CB 4.11Å; F471-Q489 HydrophobicContact CD1-CG 4.05Å; F471-Q489 HydrophobicContact CE1-CB 4.21Å; F471-Q489 HydrophobicContact CE1-CG 4.46Å; D475-Q489 PolarHBondContact OD2-NE2 2.9Å; G486-Q489 PolarHBondContact O-N 3.43Å; G486-Q489 VanDerWaalsContact O-N 3.16Å; G486-Q489 PolarHBondContact O-OE1 3.07Å; Q489-F491 VanDerWaalsContact C-N 3.26Å; Q489-F491 PolarHBondContact O-N 2.64Å; Q489-T492 PolarHBondContact O-N 3.04Å; Q489-I493 WeakPolarHBondContact O-CG1 3.23Å; Q489-I493 PolarHBondContact O-N 2.85Å; Q489-I493 VanDerWaalsContact O-N 3.09Å
490	L	78.9	Confident	71.2	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-28.8	178.6	-60.8	176.6	0	0	0	112.7	N297 F298 V301 Q342 G486 Q487 N488 L494	N297-L490 HydrophobicContact CB-CD2 4.11Å; N297-L490 PolarHBondContact ND2-O 3.18Å; F298-L490 HydrophobicContact CB-CD2 4.06Å; F298-L490 HydrophobicContact CD2-CD1 4.25Å; F298-L490 HydrophobicContact CD2-CD2 4.4Å; V301-L490 HydrophobicContact CG2-CD2 3.98Å; Q342-L490 HydrophobicContact CG-CD1 4.27Å; Q342-L490 VanDerWaalsContact NE2-CD1 3.27Å; G486-L490 WeakPolarHBondContact O-CG 3.39Å; G486-L490 PolarHBondContact O-N 3.06Å; Q487-L490 PolarHBondContact O-N 3.22Å; N488-L490 VanDerWaalsContact C-N 3.35Å; N488-L490 PolarHBondContact O-N 2.71Å; L490-L494 PolarHBondContact O-N 2.71Å
491	F	76.9	Confident	72.8	Confident	43 Å²	43	31.1 Å²	31.1	19%	0.189	18%	0.184	C	C	.	.	H	α-helix	trans	-78	-41.7	174.5	-173.7	-110.5	0	0	0	112.3	P50 L144 Q487 N488 Q489 I493 L494 L495	P50-F491 HydrophobicContact CB-CE2 4.31Å; P50-F491 HydrophobicContact CB-CZ 3.94Å; P50-F491 HydrophobicContact CG-CE2 3.78Å; P50-F491 HydrophobicContact CG-CZ 3.87Å; L144-F491 HydrophobicContact CD1-CE1 3.86Å; L144-F491 HydrophobicContact CD1-CZ 4.18Å; Q487-F491 WeakPolarHBondContact O-CB 3.38Å; Q487-F491 PolarHBondContact O-N 3.05Å; N488-F491 PolarHBondContact O-N 2.9Å; Q489-F491 VanDerWaalsContact C-N 3.26Å; Q489-F491 PolarHBondContact O-N 2.64Å; F491-I493 VanDerWaalsContact C-N 3.31Å; F491-I493 PolarHBondContact O-N 3.43Å; F491-L494 HydrophobicContact CD2-CD2 4.24Å; F491-L494 HydrophobicContact CE2-CD2 4.31Å; F491-L494 WeakPolarHBondContact O-CA 3.38Å; F491-L494 WeakPolarHBondContact O-CB 3.47Å; F491-L494 PolarHBondContact O-N 3.32Å; F491-L495 HydrophobicContact CD1-CD1 4.18Å; F491-L495 HydrophobicContact CD1-CG 4.41Å; F491-L495 HydrophobicContact CE1-CD1 3.68Å; F491-L495 HydrophobicContact CE1-CD2 4.29Å; F491-L495 HydrophobicContact CE1-CG 4.09Å; F491-L495 HydrophobicContact CE2-CD2 4.26Å; F491-L495 HydrophobicContact CZ-CD1 4.14Å; F491-L495 HydrophobicContact CZ-CD2 3.91Å; F491-L495 HydrophobicContact CZ-CG 4.2Å; F491-L495 PolarHBondContact O-N 3.25Å
492	T	79.8	Confident	74.4	Confident	20 Å²	20	32 Å²	32	12%	0.123	20%	0.196	C	C	.	.	H	α-helix	trans	-54.2	-47.7	172.2	-65	0	0	0	0	110.9	N488 Q489 L494 L495 V496 L501 F503	N488-T492 PolarHBondContact O-N 3.49Å; N488-T492 PolarHBondContact O-OG1 2.83Å; N488-T492 VanDerWaalsContact O-OG1 3.12Å; Q489-T492 PolarHBondContact O-N 3.04Å; T492-L494 VanDerWaalsContact C-N 3.29Å; T492-L494 PolarHBondContact O-N 2.93Å; T492-L495 PolarHBondContact O-N 3.07Å; T492-L495 VanDerWaalsContact O-N 3.14Å; T492-V496 WeakPolarHBondContact O-CG2 3.42Å; T492-V496 PolarHBondContact O-N 3.22Å; T492-L501 HydrophobicContact CG2-CD2 3.87Å; T492-F503 HydrophobicContact CG2-CE2 3.91Å; T492-F503 HydrophobicContact CG2-CZ 3.72Å
493	I	82.7	Confident	76.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-34.4	176.6	-61.7	162.9	0	0	0	111.8	N297 V301 F471 Q489 F491 V496 N497	N297-I493 HydrophobicContact CB-CB 4.17Å; N297-I493 HydrophobicContact CB-CG2 3.89Å; N297-I493 VanDerWaalsContact CG-CG2 3.49Å; V301-I493 HydrophobicContact CG2-CD1 3.3Å; F471-I493 HydrophobicContact CE1-CD1 3.91Å; F471-I493 HydrophobicContact CE1-CG1 4.34Å; F471-I493 HydrophobicContact CE2-CD1 4.37Å; F471-I493 HydrophobicContact CZ-CD1 3.57Å; F471-I493 HydrophobicContact CZ-CG1 4Å; Q489-I493 WeakPolarHBondContact O-CG1 3.23Å; Q489-I493 PolarHBondContact O-N 2.85Å; Q489-I493 VanDerWaalsContact O-N 3.09Å; F491-I493 VanDerWaalsContact C-N 3.31Å; F491-I493 PolarHBondContact O-N 3.43Å; I493-V496 PolarHBondContact O-N 2.87Å; I493-N497 WeakPolarHBondContact CG2-ND2 3.2Å; I493-N497 VanDerWaalsContact O-CB 3.3Å; I493-N497 WeakPolarHBondContact O-CB 3.33Å; I493-N497 PolarHBondContact O-N 2.84Å
494	L	82	Confident	78.2	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-43.8	174.9	170.7	64.2	0	0	0	111.2	L51 I65 F72 Y293 N297 L490 F491 T492 V496 S498	L51-L494 HydrophobicContact CD1-CD1 4.01Å; L51-L494 HydrophobicContact CD1-CD2 4.31Å; L51-L494 HydrophobicContact CD2-CD1 4.08Å; L51-L494 HydrophobicContact CD2-CD2 4.31Å; L51-L494 HydrophobicContact CD2-CG 4.04Å; L51-L494 HydrophobicContact CG-CD2 4.45Å; I65-L494 HydrophobicContact CG2-CD2 4.04Å; F72-L494 HydrophobicContact CD2-CD1 4.46Å; F72-L494 HydrophobicContact CE2-CD1 4.1Å; Y293-L494 HydrophobicContact CD1-CD2 4.5Å; Y293-L494 HydrophobicContact CD2-CB 3.86Å; Y293-L494 HydrophobicContact CD2-CD1 4.07Å; Y293-L494 HydrophobicContact CD2-CD2 3.69Å; Y293-L494 HydrophobicContact CD2-CG 4.07Å; Y293-L494 HydrophobicContact CE2-CB 4.36Å; Y293-L494 HydrophobicContact CE2-CD2 3.82Å; Y293-L494 HydrophobicContact CG-CD1 4Å; Y293-L494 HydrophobicContact CG-CD2 4.04Å; Y293-L494 HydrophobicContact CG-CG 4.44Å; N297-L494 WeakPolarHBondContact ND2-CA 3.46Å; N297-L494 PolarHBondContact ND2-N 2.83Å; L490-L494 PolarHBondContact O-N 2.71Å; F491-L494 HydrophobicContact CD2-CD2 4.24Å; F491-L494 HydrophobicContact CE2-CD2 4.31Å; F491-L494 WeakPolarHBondContact O-CA 3.38Å; F491-L494 WeakPolarHBondContact O-CB 3.47Å; F491-L494 PolarHBondContact O-N 3.32Å; T492-L494 VanDerWaalsContact C-N 3.29Å; T492-L494 PolarHBondContact O-N 2.93Å; L494-V496 VanDerWaalsContact C-N 3.34Å; L494-S498 WeakPolarHBondContact O-CB 3.32Å; L494-S498 PolarHBondContact O-N 2.94Å; L494-S498 VanDerWaalsContact O-N 3.1Å; L494-S498 PolarHBondContact O-OG 3.18Å
495	L	80.9	Confident	79.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.2	-34.1	-179.9	-55.3	-176.5	0	0	0	111.7	P50 I139 L141 F491 T492 S498 G499 R500 L501	P50-L495 HydrophobicContact CB-CD2 3.89Å; I139-L495 HydrophobicContact CB-CD1 4.19Å; I139-L495 HydrophobicContact CD1-CD1 4.06Å; I139-L495 HydrophobicContact CD1-CD2 4Å; I139-L495 HydrophobicContact CG2-CD1 4.05Å; L141-L495 HydrophobicContact CD2-CD1 4.17Å; F491-L495 HydrophobicContact CD1-CD1 4.18Å; F491-L495 HydrophobicContact CD1-CG 4.41Å; F491-L495 HydrophobicContact CE1-CD1 3.68Å; F491-L495 HydrophobicContact CE1-CD2 4.29Å; F491-L495 HydrophobicContact CE1-CG 4.09Å; F491-L495 HydrophobicContact CE2-CD2 4.26Å; F491-L495 HydrophobicContact CZ-CD1 4.14Å; F491-L495 HydrophobicContact CZ-CD2 3.91Å; F491-L495 HydrophobicContact CZ-CG 4.2Å; F491-L495 PolarHBondContact O-N 3.25Å; T492-L495 PolarHBondContact O-N 3.07Å; T492-L495 VanDerWaalsContact O-N 3.14Å; L495-S498 WeakPolarHBondContact CA-OG 3.45Å; L495-S498 PolarHBondContact O-OG 2.82Å; L495-G499 PolarHBondContact O-N 3.38Å; L495-R500 CarbonylContact O-C 3.51Å; L495-R500 WeakPolarHBondContact O-CA 3.46Å; L495-R500 PolarHBondContact O-N 3.32Å; L495-L501 HydrophobicContact CB-CB 3.54Å; L495-L501 HydrophobicContact CB-CD2 4.2Å; L495-L501 HydrophobicContact CB-CG 4.34Å; L495-L501 HydrophobicContact CD1-CD1 4.34Å; L495-L501 PolarHBondContact O-N 3.46Å
496	V	83	Confident	81.5	Confident	41 Å²	41	36.6 Å²	36.6	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-64.9	-54.5	171.5	176.3	0	0	0	0	111.3	T492 I493 L494 S498 G499 L501 F503 Y786	T492-V496 WeakPolarHBondContact O-CG2 3.42Å; T492-V496 PolarHBondContact O-N 3.22Å; I493-V496 PolarHBondContact O-N 2.87Å; L494-V496 VanDerWaalsContact C-N 3.34Å; V496-S498 PolarHBondContact O-N 3.09Å; V496-G499 PolarHBondContact O-N 2.91Å; V496-L501 WeakPolarHBondContact CA-O 3.33Å; V496-L501 HydrophobicContact CG2-CB 4.19Å; V496-L501 HydrophobicContact CG2-CD2 4.26Å; V496-F503 HydrophobicContact CG2-CD2 3.88Å; V496-F503 HydrophobicContact CG2-CE2 3.58Å; V496-Y786 HydrophobicContact CG1-CE1 4.43Å; V496-Y786 HydrophobicContact CG2-CD1 4.3Å; V496-Y786 HydrophobicContact CG2-CE1 4.27Å
497	N	81.1	Confident	82.8	Confident	80 Å²	80	37.7 Å²	37.7	43%	0.428	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-17.7	-177.3	-69.5	-8.2	0	0	0	113.5	N297 I493	N297-N497 PolarHBondContact OD1-ND2 3.24Å; I493-N497 WeakPolarHBondContact CG2-ND2 3.2Å; I493-N497 VanDerWaalsContact O-CB 3.3Å; I493-N497 WeakPolarHBondContact O-CB 3.33Å; I493-N497 PolarHBondContact O-N 2.84Å
498	S	77.4	Confident	83.8	Confident	42 Å²	42	37.2 Å²	37.2	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.7	174.5	57.8	0	0	0	0	114.2	L51 L494 L495 V496 R500	L51-S498 VanDerWaalsContact CD2-OG 3.24Å; L51-S498 WeakPolarHBondContact CD2-OG 3.38Å; L494-S498 WeakPolarHBondContact O-CB 3.32Å; L494-S498 PolarHBondContact O-N 2.94Å; L494-S498 VanDerWaalsContact O-N 3.1Å; L494-S498 PolarHBondContact O-OG 3.18Å; L495-S498 WeakPolarHBondContact CA-OG 3.45Å; L495-S498 PolarHBondContact O-OG 2.82Å; V496-S498 PolarHBondContact O-N 3.09Å; S498-R500 PolarHBondContact O-N 3.44Å
499	G	78.2	Confident	84.8	Confident	72 Å²	72	37.4 Å²	37.4	74%	0.742	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	19.4	179.7	0	0	0	0	0	114.4	L495 V496	L495-G499 PolarHBondContact O-N 3.38Å; V496-G499 PolarHBondContact O-N 2.91Å
500	R	77.9	Confident	85.5	Confident	80 Å²	80	40.5 Å²	40.5	30%	0.302	23%	0.233	S	C	.	.	S	Bend	trans	-103.2	-6.4	-176.7	-70.6	-177.9	166	-100.8	-19.7	114	P50 L51 L495 S498	P50-R500 WeakPolarHBondContact O-CD 3.33Å; P50-R500 PolarHBondContact O-NE 3.44Å; P50-R500 PolarHBondContact O-NH1 3.17Å; L51-R500 PolarHBondContact O-NE 2.88Å; L51-R500 PolarHBondContact O-NH2 3.49Å; L495-R500 CarbonylContact O-C 3.51Å; L495-R500 WeakPolarHBondContact O-CA 3.46Å; L495-R500 PolarHBondContact O-N 3.32Å; S498-R500 PolarHBondContact O-N 3.44Å
501	L	83.6	Confident	86.1	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.047	27%	0.266	C	S	.	.			trans	-140.1	119	174	-155.2	77.9	0	0	0	107.3	L141 T492 L495 V496 F503 V836	L141-L501 HydrophobicContact CD1-CD2 4.35Å; T492-L501 HydrophobicContact CG2-CD2 3.87Å; L495-L501 HydrophobicContact CB-CB 3.54Å; L495-L501 HydrophobicContact CB-CD2 4.2Å; L495-L501 HydrophobicContact CB-CG 4.34Å; L495-L501 HydrophobicContact CD1-CD1 4.34Å; L495-L501 PolarHBondContact O-N 3.46Å; V496-L501 WeakPolarHBondContact CA-O 3.33Å; V496-L501 HydrophobicContact CG2-CB 4.19Å; V496-L501 HydrophobicContact CG2-CD2 4.26Å; L501-F503 HydrophobicContact CD2-CE2 3.84Å; L501-F503 HydrophobicContact CD2-CZ 3.96Å; L501-F503 HydrophobicContact CG-CE2 4.46Å; L501-V836 HydrophobicContact CD1-CG2 3.37Å; L501-V836 HydrophobicContact CD2-CG2 4.32Å; L501-V836 HydrophobicContact CG-CG2 3.57Å
502	A	89.1	Confident	86.9	Confident	47 Å²	47	46.6 Å²	46.6	39%	0.388	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-110.3	140.2	171.3	0	0	0	0	0	108.4	K835 V836	A502-K835 HydrophobicContact CB-CG 3.87Å; A502-K835 CarbonylContact O-C 3.3Å; A502-K835 VanDerWaalsContact O-CA 3.29Å; A502-K835 WeakPolarHBondContact O-CA 3.02Å; A502-V836 PolarHBondContact O-N 3.23Å
503	F	91.2	Very high	87.6	Confident	22 Å²	22	50.6 Å²	50.6	10%	0.096	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-93.6	158.2	169.4	-75.3	-85.9	0	0	0	109.8	T492 V496 L501 Y786 Q787 T788 V836	T492-F503 HydrophobicContact CG2-CE2 3.91Å; T492-F503 HydrophobicContact CG2-CZ 3.72Å; V496-F503 HydrophobicContact CG2-CD2 3.88Å; V496-F503 HydrophobicContact CG2-CE2 3.58Å; L501-F503 HydrophobicContact CD2-CE2 3.84Å; L501-F503 HydrophobicContact CD2-CZ 3.96Å; L501-F503 HydrophobicContact CG-CE2 4.46Å; F503-Y786 HydrophobicContact CD2-CD1 4.06Å; F503-Y786 WeakPolarHBondContact CE1-O 3.09Å; F503-Y786 AromaticContact CE2-CD1 3.82Å; F503-Y786 HydrophobicContact CE2-CD1 3.82Å; F503-Y786 WeakPolarHBondContact CZ-O 3.41Å; F503-Q787 WeakPolarHBondContact CD1-O 3.32Å; F503-T788 HydrophobicContact CD1-CG2 4.35Å; F503-T788 HydrophobicContact CE1-CG2 3.74Å; F503-V836 HydrophobicContact CD1-CB 4.48Å; F503-V836 HydrophobicContact CE1-CB 4.4Å
504	P	94.4	Very high	88.1	Confident	6 Å²	6	50.9 Å²	50.9	4%	0.039	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-56.6	149.9	167	-23.5	35.6	0	0	0	111.1	Y506 W770 F774 V836	P504-Y506 HydrophobicContact CB-CD1 4.11Å; P504-Y506 HydrophobicContact CB-CE1 4.13Å; P504-Y506 WeakPolarHBondContact O-CD1 3.31Å; P504-Y506 WeakPolarHBondContact O-CE1 3.38Å; P504-W770 HydrophobicContact CB-CH2 4.44Å; P504-W770 HydrophobicContact CB-CZ2 3.77Å; P504-W770 HydrophobicContact CG-CH2 3.98Å; P504-W770 HydrophobicContact CG-CZ2 3.81Å; P504-F774 HydrophobicContact CB-CD1 3.66Å; P504-F774 HydrophobicContact CB-CD2 3.89Å; P504-F774 HydrophobicContact CB-CE1 3.54Å; P504-F774 HydrophobicContact CB-CE2 3.77Å; P504-F774 HydrophobicContact CB-CG 3.87Å; P504-F774 HydrophobicContact CB-CZ 3.61Å; P504-F774 HydrophobicContact CG-CD1 4.29Å; P504-F774 HydrophobicContact CG-CD2 4.46Å; P504-F774 HydrophobicContact CG-CE1 3.63Å; P504-F774 HydrophobicContact CG-CE2 3.83Å; P504-F774 HydrophobicContact CG-CZ 3.39Å; P504-V836 WeakPolarHBondContact CD-O 3.33Å
505	D	93.3	Very high	88.7	Confident	114 Å²	114	51.3 Å²	51.3	61%	0.61	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-84	128.2	176.7	-51.9	-82	0	0	0	110	K835	D505-K835 IonicContact OD2-NZ 3.76Å; D505-K835 PolarHBondContact OD2-NZ 3.46Å
506	Y	95.1	Very high	89.2	Confident	34 Å²	34	57.1 Å²	57.1	13%	0.133	31%	0.308	C	S	.	.			trans	-160.7	154.4	176.9	46.5	-99.9	0	0	0	111.1	P504 V508 F774 F782 N784 P785 Y786 Q787	P504-Y506 HydrophobicContact CB-CD1 4.11Å; P504-Y506 HydrophobicContact CB-CE1 4.13Å; P504-Y506 WeakPolarHBondContact O-CD1 3.31Å; P504-Y506 WeakPolarHBondContact O-CE1 3.38Å; Y506-V508 HydrophobicContact CE2-CG2 4.41Å; Y506-F774 AromaticContact CD1-CD1 3.63Å; Y506-F774 HydrophobicContact CD1-CD1 3.63Å; Y506-F774 HydrophobicContact CD1-CE1 4.21Å; Y506-F774 HydrophobicContact CE1-CD1 4.24Å; Y506-F774 HydrophobicContact CE1-CE1 4.37Å; Y506-F782 AromaticContact CD1-CD1 3.96Å; Y506-F782 HydrophobicContact CD1-CD1 3.96Å; Y506-F782 AromaticContact CD1-CE1 3.75Å; Y506-F782 HydrophobicContact CD1-CE1 3.75Å; Y506-F782 HydrophobicContact CD1-CZ 4.13Å; Y506-F782 HydrophobicContact CD2-CB 3.63Å; Y506-F782 AromaticContact CD2-CD1 3.46Å; Y506-F782 HydrophobicContact CD2-CD1 3.46Å; Y506-F782 VanDerWaalsContact CD2-CD1 3.46Å; Y506-F782 HydrophobicContact CD2-CD2 4.06Å; Y506-F782 HydrophobicContact CD2-CE1 4.11Å; Y506-F782 AromaticContact CD2-CG 3.44Å; Y506-F782 HydrophobicContact CD2-CG 3.44Å; Y506-F782 VanDerWaalsContact CD2-CG 3.44Å; Y506-F782 HydrophobicContact CE1-CD1 4.03Å; Y506-F782 AromaticContact CE1-CE1 3.93Å; Y506-F782 HydrophobicContact CE1-CE1 3.93Å; Y506-F782 HydrophobicContact CE2-CB 3.97Å; Y506-F782 AromaticContact CE2-CD1 3.56Å; Y506-F782 HydrophobicContact CE2-CD1 3.56Å; Y506-F782 HydrophobicContact CE2-CE1 4.3Å; Y506-F782 AromaticContact CE2-CG 3.93Å; Y506-F782 HydrophobicContact CE2-CG 3.93Å; Y506-F782 HydrophobicContact CG-CB 4.44Å; Y506-F782 AromaticContact CG-CD1 3.69Å; Y506-F782 HydrophobicContact CG-CD1 3.69Å; Y506-F782 HydrophobicContact CG-CD2 4.02Å; Y506-F782 AromaticContact CG-CE1 3.85Å; Y506-F782 HydrophobicContact CG-CE1 3.85Å; Y506-F782 HydrophobicContact CG-CE2 4.18Å; Y506-F782 AromaticContact CG-CG 3.79Å; Y506-F782 HydrophobicContact CG-CG 3.79Å; Y506-F782 HydrophobicContact CG-CZ 4.1Å; Y506-F782 AromaticContact CZ-CD1 3.86Å; Y506-N784 WeakPolarHBondContact CE2-O 3.23Å; Y506-N784 PolarHBondContact OH-O 3.06Å; Y506-P785 VanDerWaalsContact OH-C 3.26Å; Y506-P785 PolarHBondContact OH-O 3.14Å; Y506-Y786 PolarHBondContact OH-N 3.21Å; Y506-Q787 WeakPolarHBondContact OH-CA 3.47Å; Y506-Q787 WeakPolarHBondContact OH-CB 3.26Å; Y506-Q787 PolarHBondContact OH-N 2.9Å; Y506-Q787 PolarHBondContact OH-O 3.1Å
507	A	94	Very high	89.8	Confident	30 Å²	30	58.1 Å²	58.1	25%	0.248	31%	0.312	C	S	.	.			trans	-76.7	128.6	172.1	0	0	0	0	0	111.6	Q509 E776	A507-Q509 HydrophobicContact CB-CG 4.23Å; A507-Q509 PolarHBondContact O-N 2.98Å; A507-E776 HydrophobicContact CB-CG 3.96Å
508	V	92.3	Very high	90.5	Very high	67 Å²	67	56.9 Å²	56.9	41%	0.406	30%	0.301	S	S	.	.			trans	-78.5	116.8	169	170.8	0	0	0	0	109	Y506 R510 F782 P785	Y506-V508 HydrophobicContact CE2-CG2 4.41Å; V508-R510 HydrophobicContact CG1-CG 4.48Å; V508-F782 WeakPolarHBondContact CA-O 3.47Å; V508-P785 HydrophobicContact CG2-CG 4.45Å
509	Q	91.8	Very high	91.3	Very high	67 Å²	67	58.8 Å²	58.8	31%	0.313	31%	0.305	S	S	.	.			trans	-129.6	113.3	-177.3	-65.5	-178.3	-10.9	0	0	108.5	A507 D780 F782	A507-Q509 HydrophobicContact CB-CG 4.23Å; A507-Q509 PolarHBondContact O-N 2.98Å; Q509-D780 VanDerWaalsContact O-CA 3.22Å; Q509-D780 WeakPolarHBondContact O-CA 3.37Å; Q509-D780 PolarHBondContact O-N 3.5Å; Q509-F782 PolarHBondContact N-O 3.21Å
510	R	91.7	Very high	92.1	Very high	74 Å²	74	55.6 Å²	55.6	28%	0.279	27%	0.271	S	S	.	.			trans	-117.1	126.1	179.5	-64.2	179.8	176.5	-156.9	3.7	109.6	N308 D311 V508 D780 R783	N308-R510 PolarHBondContact OD1-NH1 3.25Å; D311-R510 IonicContact OD1-NH1 2.7Å; D311-R510 PolarHBondContact OD1-NH1 3.08Å; D311-R510 IonicContact OD2-CZ 2.72Å; D311-R510 IonicContact OD2-NH1 3.46Å; D311-R510 PolarHBondContact OD2-NH1 2.89Å; D311-R510 IonicContact OD2-NH2 3.48Å; D311-R510 PolarHBondContact OD2-NH2 3.45Å; V508-R510 HydrophobicContact CG1-CG 4.48Å; R510-D780 WeakPolarHBondContact CA-OD1 3.44Å; R510-R783 HydrophobicContact CG-CB 4.31Å; R510-R783 HydrophobicContact CG-CG 4.4Å; R510-R783 VanDerWaalsContact CZ-O 3.31Å; R510-R783 PolarHBondContact NE-O 3.46Å; R510-R783 PolarHBondContact NH2-O 3.2Å
511	E	92.8	Very high	93	Very high	146 Å²	146	51.8 Å²	51.8	68%	0.682	26%	0.257	S	S	*	.			trans	-127	-51.6	175.3	-63.6	-172.5	170.6	0	0	110.9	P779 D780	E511-P779 HydrophobicContact CB-CB 4.31Å; E511-P779 VanDerWaalsContact CD-CB 3.47Å; E511-P779 HydrophobicContact CG-CB 3.83Å; E511-P779 WeakPolarHBondContact OE2-CB 3.32Å; E511-D780 PolarHBondContact N-OD1 3.4Å
512	A	93.1	Very high	93.5	Very high	25 Å²	25	53.4 Å²	53.4	21%	0.207	27%	0.265	C	S	.	.	S	Bend	trans	-75	139.3	179	0	0	0	0	0	112.6	L572 L576 D780 R783	A512-L572 HydrophobicContact CB-CD2 3.93Å; A512-L576 HydrophobicContact CB-CD1 3.58Å; A512-D780 WeakPolarHBondContact CB-OD2 3.35Å; A512-D780 PolarHBondContact N-OD1 3.26Å; A512-D780 PolarHBondContact N-OD2 3.39Å; A512-R783 PolarHBondContact O-NH1 2.75Å; A512-R783 PolarHBondContact O-NH2 3.48Å
513	K	93.2	Very high	93.8	Very high	105 Å²	105	53.9 Å²	53.9	46%	0.457	26%	0.257	S	S	.	.			trans	-88.9	113	172.3	-54.9	-162.9	-176.4	-149.6	0	108.5	D310 F515 H568	D310-K513 IonicContact OD1-NZ 3.16Å; D310-K513 PolarHBondContact OD1-NZ 2.9Å; D310-K513 WeakPolarHBondContact OD2-CE 3.42Å; D310-K513 IonicContact OD2-NZ 2.69Å; D310-K513 PolarHBondContact OD2-NZ 3.46Å; K513-F515 VanDerWaalsContact C-N 3.34Å; K513-H568 PolarHBondContact O-CE1 2.98Å; K513-H568 PolarHBondContact O-NE2 3.09Å
514	V	93.4	Very high	94	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.036	25%	0.254	C	S	.	.	S	Bend	trans	-70.4	-35.4	-177.6	-179.8	0	0	0	0	111.2	L576 F579	V514-L576 HydrophobicContact CG2-CB 4.5Å; V514-L576 HydrophobicContact CG2-CD1 4.39Å; V514-L576 HydrophobicContact CG2-CD2 4.16Å; V514-F579 HydrophobicContact CG1-CB 3.85Å
515	F	94.9	Very high	93.9	Very high	11 Å²	11	53.5 Å²	53.5	5%	0.048	26%	0.255	C	S	.	.			trans	-117.4	135.6	176	-51.5	-71.5	0	0	0	109	L314 L470 L473 K513 D520 L521 Y524 F579	L314-F515 HydrophobicContact CD1-CB 4.04Å; L314-F515 HydrophobicContact CD1-CD2 3.94Å; L314-F515 HydrophobicContact CD1-CG 4.38Å; L314-F515 HydrophobicContact CD2-CB 4.01Å; L470-F515 HydrophobicContact CD2-CD2 3.9Å; L470-F515 HydrophobicContact CD2-CE2 3.72Å; L473-F515 HydrophobicContact CD2-CE2 3.96Å; L473-F515 HydrophobicContact CD2-CZ 4.04Å; K513-F515 VanDerWaalsContact C-N 3.34Å; F515-D520 HydrophobicContact CB-CB 4.47Å; F515-L521 HydrophobicContact CB-CB 4.39Å; F515-L521 HydrophobicContact CD1-CB 4.32Å; F515-L521 HydrophobicContact CD1-CD1 4.28Å; F515-L521 HydrophobicContact CD2-CD1 3.92Å; F515-L521 HydrophobicContact CE1-CD1 4.14Å; F515-L521 HydrophobicContact CE2-CD1 3.76Å; F515-L521 HydrophobicContact CG-CB 4.15Å; F515-L521 HydrophobicContact CG-CD1 4.19Å; F515-L521 HydrophobicContact CZ-CD1 3.88Å; F515-Y524 AromaticContact CE1-CD1 3.47Å; F515-Y524 HydrophobicContact CE1-CD1 3.47Å; F515-Y524 VanDerWaalsContact CE1-CD1 3.47Å; F515-Y524 HydrophobicContact CE1-CE1 4.26Å; F515-Y524 AromaticContact CE1-CG 3.7Å; F515-Y524 HydrophobicContact CE1-CG 3.7Å; F515-Y524 AromaticContact CZ-CD1 3.53Å; F515-Y524 HydrophobicContact CZ-CD1 3.53Å; F515-Y524 AromaticContact CZ-CE1 3.96Å; F515-Y524 HydrophobicContact CZ-CE1 3.96Å; F515-Y524 HydrophobicContact CZ-CG 4.23Å; F515-F579 VanDerWaalsContact CE1-O 3.29Å; F515-F579 WeakPolarHBondContact CE1-O 3.34Å
516	R	92.9	Very high	93.9	Very high	122 Å²	122	49.8 Å²	49.8	46%	0.46	24%	0.24	S	C	.	.	S	Bend	trans	-71.1	-38.9	178.3	-63	176.5	74.9	158.7	5.3	112.3	D565 H568	R516-D565 IonicContact CZ-OD2 2.7Å; R516-D565 IonicContact NH1-OD2 2.65Å; R516-D565 PolarHBondContact NH1-OD2 3.36Å; R516-D565 IonicContact NH2-OD2 3.32Å; R516-H568 HydrophobicContact CG-CB 4.17Å; R516-H568 WeakPolarHBondContact CG-ND1 3.38Å
517	D	94.3	Very high	93.9	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	23%	0.234	S	C	.	.	S	Bend	trans	-158.9	171.6	-168	60	69	0	0	0	110.7	E519 D520 L521 R523	D517-E519 VanDerWaalsContact C-N 3.28Å; D517-E519 PolarHBondContact O-N 3.38Å; D517-E519 WeakPolarHBondContact OD1-CA 3.47Å; D517-E519 WeakPolarHBondContact OD1-CB 3.29Å; D517-E519 PolarHBondContact OD1-N 2.96Å; D517-D520 WeakPolarHBondContact O-CB 3.47Å; D517-D520 PolarHBondContact O-N 2.93Å; D517-D520 PolarHBondContact OD1-N 2.92Å; D517-L521 PolarHBondContact O-N 3.49Å; D517-R523 IonicContact OD1-NH2 3.31Å; D517-R523 IonicContact OD2-NH2 3.49Å
518	R	95.4	Very high	93.7	Very high	53 Å²	53	47.4 Å²	47.4	20%	0.2	23%	0.225	C	C	.	.	H	α-helix	trans	-50.4	-44.1	175.6	176.8	-177	-169.8	-101	8.8	113.6	L314 D319 D520 L521 I522	L314-R518 WeakPolarHBondContact O-CA 3.45Å; L314-R518 VanDerWaalsContact O-CB 3.28Å; L314-R518 WeakPolarHBondContact O-CB 3.48Å; L314-R518 WeakPolarHBondContact O-CG 3.37Å; D319-R518 IonicContact OD1-CZ 3.11Å; D319-R518 IonicContact OD1-NE 3.36Å; D319-R518 IonicContact OD1-NH2 2.84Å; D319-R518 PolarHBondContact OD1-NH2 2.9Å; D319-R518 IonicContact OD2-CZ 3.6Å; D319-R518 IonicContact OD2-NE 3.4Å; D319-R518 PolarHBondContact OD2-NE 2.98Å; D319-R518 IonicContact OD2-NH2 3.83Å; D319-R518 PolarHBondContact OD2-NH2 2.95Å; R518-D520 VanDerWaalsContact C-N 3.31Å; R518-L521 PolarHBondContact O-N 3.35Å; R518-I522 HydrophobicContact CG-CD1 3.87Å; R518-I522 WeakPolarHBondContact O-CG1 3.22Å; R518-I522 PolarHBondContact O-N 3.25Å
519	E	95.1	Very high	93.6	Very high	83 Å²	83	48.7 Å²	48.7	39%	0.388	22%	0.223	S	C	.	.	H	α-helix	trans	-74.2	-27.4	-174.8	-57.1	-53.7	126.9	0	0	110.8	D517 I522 R523	D517-E519 VanDerWaalsContact C-N 3.28Å; D517-E519 PolarHBondContact O-N 3.38Å; D517-E519 WeakPolarHBondContact OD1-CA 3.47Å; D517-E519 WeakPolarHBondContact OD1-CB 3.29Å; D517-E519 PolarHBondContact OD1-N 2.96Å; E519-I522 PolarHBondContact O-N 2.88Å; E519-R523 WeakPolarHBondContact O-CB 3.31Å; E519-R523 WeakPolarHBondContact O-CG 3.33Å; E519-R523 PolarHBondContact O-N 3.48Å
520	D	95.3	Very high	93.8	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-40.6	171.2	-145.7	37.7	0	0	0	112.3	F515 D517 R518 R523 Y524 Q569	F515-D520 HydrophobicContact CB-CB 4.47Å; D517-D520 WeakPolarHBondContact O-CB 3.47Å; D517-D520 PolarHBondContact O-N 2.93Å; D517-D520 PolarHBondContact OD1-N 2.92Å; R518-D520 VanDerWaalsContact C-N 3.31Å; D520-R523 VanDerWaalsContact CG-NH2 3.33Å; D520-R523 PolarHBondContact O-N 3.36Å; D520-R523 IonicContact OD1-CZ 3.96Å; D520-R523 IonicContact OD1-NE 3.72Å; D520-R523 PolarHBondContact OD1-NE 2.81Å; D520-R523 IonicContact OD1-NH2 3.76Å; D520-R523 PolarHBondContact OD1-NH2 3.09Å; D520-Y524 WeakPolarHBondContact O-CB 3.44Å; D520-Y524 PolarHBondContact O-N 3.33Å; D520-Q569 PolarHBondContact OD1-NE2 2.91Å
521	L	95.3	Very high	93.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-40.1	171.4	179.7	61.8	0	0	0	111.8	L314 F315 R466 L469 L470 F515 D517 R518 Y524 E525	L314-L521 HydrophobicContact CB-CD2 3.97Å; L314-L521 HydrophobicContact CD1-CD2 4.04Å; F315-L521 HydrophobicContact CZ-CD2 4.49Å; R466-L521 HydrophobicContact CB-CD2 4.11Å; R466-L521 HydrophobicContact CG-CD2 4.28Å; R466-L521 HydrophobicContact CG-CG 4.28Å; L469-L521 HydrophobicContact CD2-CD1 4.18Å; L470-L521 HydrophobicContact CD1-CD2 3.86Å; L470-L521 HydrophobicContact CD2-CD1 4.01Å; L470-L521 HydrophobicContact CD2-CD2 4.24Å; L470-L521 HydrophobicContact CG-CD1 4.4Å; L470-L521 HydrophobicContact CG-CD2 4.14Å; F515-L521 HydrophobicContact CB-CB 4.39Å; F515-L521 HydrophobicContact CD1-CB 4.32Å; F515-L521 HydrophobicContact CD1-CD1 4.28Å; F515-L521 HydrophobicContact CD2-CD1 3.92Å; F515-L521 HydrophobicContact CE1-CD1 4.14Å; F515-L521 HydrophobicContact CE2-CD1 3.76Å; F515-L521 HydrophobicContact CG-CB 4.15Å; F515-L521 HydrophobicContact CG-CD1 4.19Å; F515-L521 HydrophobicContact CZ-CD1 3.88Å; D517-L521 PolarHBondContact O-N 3.49Å; R518-L521 PolarHBondContact O-N 3.35Å; L521-Y524 PolarHBondContact O-N 3.03Å; L521-E525 WeakPolarHBondContact O-CB 3.38Å; L521-E525 PolarHBondContact O-N 3.11Å
522	I	95.4	Very high	93.7	Very high	44 Å²	44	37.4 Å²	37.4	23%	0.226	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-40.5	176.5	-70.3	170.3	0	0	0	111.6	R518 E519 Y524 E525 A526	R518-I522 HydrophobicContact CG-CD1 3.87Å; R518-I522 WeakPolarHBondContact O-CG1 3.22Å; R518-I522 PolarHBondContact O-N 3.25Å; E519-I522 PolarHBondContact O-N 2.88Å; I522-Y524 VanDerWaalsContact C-N 3.31Å; I522-Y524 PolarHBondContact O-N 3.29Å; I522-E525 PolarHBondContact O-N 2.89Å; I522-A526 WeakPolarHBondContact O-CB 3.34Å; I522-A526 PolarHBondContact O-N 2.79Å
523	R	95.4	Very high	93.7	Very high	57 Å²	57	40.7 Å²	40.7	22%	0.215	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-40.3	172.3	-76	-177.5	-61.4	-96.3	6.8	111.3	D517 E519 D520 A526 S527 T581	D517-R523 IonicContact OD1-NH2 3.31Å; D517-R523 IonicContact OD2-NH2 3.49Å; E519-R523 WeakPolarHBondContact O-CB 3.31Å; E519-R523 WeakPolarHBondContact O-CG 3.33Å; E519-R523 PolarHBondContact O-N 3.48Å; D520-R523 VanDerWaalsContact CG-NH2 3.33Å; D520-R523 PolarHBondContact O-N 3.36Å; D520-R523 IonicContact OD1-CZ 3.96Å; D520-R523 IonicContact OD1-NE 3.72Å; D520-R523 PolarHBondContact OD1-NE 2.81Å; D520-R523 IonicContact OD1-NH2 3.76Å; D520-R523 PolarHBondContact OD1-NH2 3.09Å; R523-A526 PolarHBondContact O-N 3.14Å; R523-S527 WeakPolarHBondContact O-CB 3.44Å; R523-S527 PolarHBondContact O-N 2.92Å; R523-S527 PolarHBondContact O-OG 3.04Å; R523-S527 VanDerWaalsContact O-OG 3.05Å; R523-T581 HydrophobicContact CB-CG2 4.16Å
524	Y	94.4	Very high	93.7	Very high	6 Å²	6	35.8 Å²	35.8	2%	0.024	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-47.9	175.3	-179.6	-119.8	0	0	0	111.9	L469 F515 D520 L521 I522 A526 S527 M528 F579 T581 A584	L469-Y524 HydrophobicContact CD1-CE1 4.24Å; L469-Y524 HydrophobicContact CD2-CD1 4.09Å; L469-Y524 HydrophobicContact CD2-CE1 4.21Å; F515-Y524 AromaticContact CE1-CD1 3.47Å; F515-Y524 HydrophobicContact CE1-CD1 3.47Å; F515-Y524 VanDerWaalsContact CE1-CD1 3.47Å; F515-Y524 HydrophobicContact CE1-CE1 4.26Å; F515-Y524 AromaticContact CE1-CG 3.7Å; F515-Y524 HydrophobicContact CE1-CG 3.7Å; F515-Y524 AromaticContact CZ-CD1 3.53Å; F515-Y524 HydrophobicContact CZ-CD1 3.53Å; F515-Y524 AromaticContact CZ-CE1 3.96Å; F515-Y524 HydrophobicContact CZ-CE1 3.96Å; F515-Y524 HydrophobicContact CZ-CG 4.23Å; D520-Y524 WeakPolarHBondContact O-CB 3.44Å; D520-Y524 PolarHBondContact O-N 3.33Å; L521-Y524 PolarHBondContact O-N 3.03Å; I522-Y524 VanDerWaalsContact C-N 3.31Å; I522-Y524 PolarHBondContact O-N 3.29Å; Y524-A526 VanDerWaalsContact C-N 3.25Å; Y524-A526 PolarHBondContact O-N 3.23Å; Y524-S527 WeakPolarHBondContact CA-OG 3.36Å; Y524-S527 PolarHBondContact O-N 3.39Å; Y524-S527 PolarHBondContact O-OG 3.15Å; Y524-M528 HydrophobicContact CD2-CG 3.97Å; Y524-M528 HydrophobicContact CE1-CG 4.18Å; Y524-M528 HydrophobicContact CE2-CG 3.47Å; Y524-M528 VanDerWaalsContact CE2-CG 3.47Å; Y524-M528 HydrophobicContact CE2-SD 3.94Å; Y524-M528 WeakPolarHBondContact O-CB 3.42Å; Y524-M528 WeakPolarHBondContact O-CG 3.31Å; Y524-M528 PolarHBondContact O-N 3.17Å; Y524-F579 WeakPolarHBondContact CD2-O 3.11Å; Y524-F579 HydrophobicContact CE1-CB 4.49Å; Y524-F579 VanDerWaalsContact CE2-O 3.31Å; Y524-F579 WeakPolarHBondContact CE2-O 3.18Å; Y524-T581 WeakPolarHBondContact CA-OG1 3.45Å; Y524-T581 PolarHBondContact N-OG1 3.33Å; Y524-A584 HydrophobicContact CE2-CB 4.48Å
525	E	91.9	Very high	93.7	Very high	14 Å²	14	36.9 Å²	36.9	7%	0.065	17%	0.174	C	C	.	.	H	α-helix	trans	-54.3	-42.3	174.9	-160.8	-151.2	139.4	0	0	111.4	R466 L521 I522 R529	R466-E525 HydrophobicContact CG-CG 4.38Å; R466-E525 VanDerWaalsContact CG-OE2 3.23Å; R466-E525 WeakPolarHBondContact CG-OE2 3.43Å; R466-E525 IonicContact CZ-OE2 3.14Å; R466-E525 IonicContact NH1-OE2 2.7Å; R466-E525 PolarHBondContact NH1-OE2 3.07Å; L521-E525 WeakPolarHBondContact O-CB 3.38Å; L521-E525 PolarHBondContact O-N 3.11Å; I522-E525 PolarHBondContact O-N 2.89Å; E525-R529 VanDerWaalsContact CD-NH2 3.28Å; E525-R529 WeakPolarHBondContact O-CB 3.04Å; E525-R529 PolarHBondContact O-N 3.15Å; E525-R529 VanDerWaalsContact O-N 3.14Å; E525-R529 IonicContact OE1-CZ 3.37Å; E525-R529 IonicContact OE1-NH2 3.74Å; E525-R529 PolarHBondContact OE1-NH2 3.17Å
526	A	93.9	Very high	93.5	Very high	36 Å²	36	38.4 Å²	38.4	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-69.8	-43.9	178.9	0	0	0	0	0	113.6	I522 R523 Y524 R529 A530	I522-A526 WeakPolarHBondContact O-CB 3.34Å; I522-A526 PolarHBondContact O-N 2.79Å; R523-A526 PolarHBondContact O-N 3.14Å; Y524-A526 VanDerWaalsContact C-N 3.25Å; Y524-A526 PolarHBondContact O-N 3.23Å; A526-R529 PolarHBondContact O-N 3.47Å; A526-A530 PolarHBondContact O-N 3.08Å
527	S	94.9	Very high	93.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.6	-36.3	178.9	59.6	0	0	0	0	112.6	R523 Y524 A530 L531 A584	R523-S527 WeakPolarHBondContact O-CB 3.44Å; R523-S527 PolarHBondContact O-N 2.92Å; R523-S527 PolarHBondContact O-OG 3.04Å; R523-S527 VanDerWaalsContact O-OG 3.05Å; Y524-S527 WeakPolarHBondContact CA-OG 3.36Å; Y524-S527 PolarHBondContact O-N 3.39Å; Y524-S527 PolarHBondContact O-OG 3.15Å; S527-A530 PolarHBondContact O-N 2.74Å; S527-L531 PolarHBondContact O-N 3.08Å; S527-A584 WeakPolarHBondContact OG-CB 3.46Å
528	M	91	Very high	93.6	Very high	13 Å²	13	30.8 Å²	30.8	6%	0.064	15%	0.152	C	C	.	.	H	α-helix	trans	-63.9	-42.5	171.6	-76.3	-65.4	-68.4	0	0	112.1	M477 Y524 A530 L531 I532 A584	M477-M528 HydrophobicContact CB-CE 4.48Å; Y524-M528 HydrophobicContact CD2-CG 3.97Å; Y524-M528 HydrophobicContact CE1-CG 4.18Å; Y524-M528 HydrophobicContact CE2-CG 3.47Å; Y524-M528 VanDerWaalsContact CE2-CG 3.47Å; Y524-M528 HydrophobicContact CE2-SD 3.94Å; Y524-M528 WeakPolarHBondContact O-CB 3.42Å; Y524-M528 WeakPolarHBondContact O-CG 3.31Å; Y524-M528 PolarHBondContact O-N 3.17Å; M528-A530 PolarHBondContact O-N 3.41Å; M528-L531 WeakPolarHBondContact O-CB 3.5Å; M528-L531 PolarHBondContact O-N 3.05Å; M528-L531 HydrophobicContact SD-CD2 4.37Å; M528-I532 WeakPolarHBondContact O-CG1 3.45Å; M528-I532 PolarHBondContact O-N 2.84Å; M528-A584 HydrophobicContact CG-CB 4.44Å; M528-A584 HydrophobicContact SD-CB 4.18Å
529	R	90.3	Very high	93.4	Very high	95 Å²	95	35.8 Å²	35.8	36%	0.358	18%	0.178	S	C	.	.	H	α-helix	trans	-60.4	-46.1	175.1	-160.5	-175.3	-50.3	106.5	1.6	112.1	M482 E525 A526 L531 I532 E533	M482-R529 HydrophobicContact SD-CB 4.46Å; M482-R529 HydrophobicContact SD-CG 4.46Å; E525-R529 VanDerWaalsContact CD-NH2 3.28Å; E525-R529 WeakPolarHBondContact O-CB 3.04Å; E525-R529 PolarHBondContact O-N 3.15Å; E525-R529 VanDerWaalsContact O-N 3.14Å; E525-R529 IonicContact OE1-CZ 3.37Å; E525-R529 IonicContact OE1-NH2 3.74Å; E525-R529 PolarHBondContact OE1-NH2 3.17Å; A526-R529 PolarHBondContact O-N 3.47Å; R529-L531 VanDerWaalsContact C-N 3.31Å; R529-L531 PolarHBondContact O-N 2.64Å; R529-I532 PolarHBondContact O-N 3.42Å; R529-I532 VanDerWaalsContact O-N 3.17Å; R529-E533 WeakPolarHBondContact O-CG 3.44Å; R529-E533 PolarHBondContact O-N 2.8Å
530	A	94.5	Very high	93.2	Very high	22 Å²	22	34.5 Å²	34.5	18%	0.182	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-36.9	176.4	0	0	0	0	0	112.7	A526 S527 M528 I532 E533 V534 I588	A526-A530 PolarHBondContact O-N 3.08Å; S527-A530 PolarHBondContact O-N 2.74Å; M528-A530 PolarHBondContact O-N 3.41Å; A530-I532 VanDerWaalsContact C-N 3.35Å; A530-E533 PolarHBondContact O-N 3.48Å; A530-V534 VanDerWaalsContact O-CG2 3.31Å; A530-V534 WeakPolarHBondContact O-CG2 3.46Å; A530-V534 PolarHBondContact O-N 2.87Å; A530-I588 HydrophobicContact CB-CD1 3.88Å
531	L	93.2	Very high	93.2	Very high	8 Å²	8	36 Å²	36	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-37.6	174.7	176.4	61.6	0	0	0	112.8	S527 M528 R529 T535 R587 I588 R591	S527-L531 PolarHBondContact O-N 3.08Å; M528-L531 WeakPolarHBondContact O-CB 3.5Å; M528-L531 PolarHBondContact O-N 3.05Å; M528-L531 HydrophobicContact SD-CD2 4.37Å; R529-L531 VanDerWaalsContact C-N 3.31Å; R529-L531 PolarHBondContact O-N 2.64Å; L531-T535 VanDerWaalsContact O-CB 3.3Å; L531-T535 WeakPolarHBondContact O-CB 3.33Å; L531-T535 PolarHBondContact O-N 3.08Å; L531-T535 PolarHBondContact O-OG1 2.61Å; L531-R587 HydrophobicContact CD1-CB 3.9Å; L531-R587 HydrophobicContact CD2-CB 3.82Å; L531-I588 HydrophobicContact CB-CD1 4.05Å; L531-I588 HydrophobicContact CB-CG1 3.69Å; L531-I588 HydrophobicContact CD1-CG1 3.73Å; L531-I588 HydrophobicContact CG-CG1 4.27Å; L531-R591 HydrophobicContact CD1-CG 4.35Å
532	I	89.9	Confident	93.2	Very high	20 Å²	20	40.5 Å²	40.5	10%	0.103	22%	0.224	C	C	.	.	H	α-helix	trans	-69.1	-48.9	175.6	-69.2	159.8	0	0	0	109.9	M477 E479 M482 M528 R529 A530 V534 T535 V536	M477-I532 HydrophobicContact CB-CD1 4.23Å; M477-I532 VanDerWaalsContact O-CD1 3.29Å; M477-I532 WeakPolarHBondContact O-CD1 3.05Å; E479-I532 HydrophobicContact CB-CG2 3.77Å; E479-I532 HydrophobicContact CG-CG2 3.94Å; M482-I532 HydrophobicContact CG-CD1 3.77Å; M482-I532 HydrophobicContact SD-CD1 3.38Å; M482-I532 WeakPolarHBondContact SD-CD1 3.49Å; M528-I532 WeakPolarHBondContact O-CG1 3.45Å; M528-I532 PolarHBondContact O-N 2.84Å; R529-I532 PolarHBondContact O-N 3.42Å; R529-I532 VanDerWaalsContact O-N 3.17Å; A530-I532 VanDerWaalsContact C-N 3.35Å; I532-V534 VanDerWaalsContact C-N 3.34Å; I532-V534 PolarHBondContact O-N 2.81Å; I532-T535 CarbonylContact O-C 3.56Å; I532-T535 PolarHBondContact O-N 3.23Å; I532-V536 HydrophobicContact CG2-CG2 4.13Å; I532-V536 VanDerWaalsContact O-CG2 3.31Å; I532-V536 WeakPolarHBondContact O-CG2 3.43Å; I532-V536 PolarHBondContact O-N 2.56Å
533	E	92.1	Very high	93.3	Very high	94 Å²	94	41.3 Å²	41.3	44%	0.439	22%	0.224	S	C	.	.	H	α-helix	trans	-55.1	-45.7	177.4	-71.6	171.9	-162.9	0	0	112.5	R529 A530 A537 L549	R529-E533 WeakPolarHBondContact O-CG 3.44Å; R529-E533 PolarHBondContact O-N 2.8Å; A530-E533 PolarHBondContact O-N 3.48Å; E533-A537 PolarHBondContact O-N 2.79Å; E533-A537 VanDerWaalsContact O-N 3.1Å; E533-L549 HydrophobicContact CB-CD1 4.23Å
534	V	95.2	Very high	93.3	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-45	173.7	170.5	0	0	0	0	111.3	A530 I532 A537 M538 L549 I588 R591 I595	A530-V534 VanDerWaalsContact O-CG2 3.31Å; A530-V534 WeakPolarHBondContact O-CG2 3.46Å; A530-V534 PolarHBondContact O-N 2.87Å; I532-V534 VanDerWaalsContact C-N 3.34Å; I532-V534 PolarHBondContact O-N 2.81Å; V534-A537 PolarHBondContact O-N 2.85Å; V534-M538 HydrophobicContact CG1-SD 4.24Å; V534-M538 VanDerWaalsContact O-CG 3.32Å; V534-M538 WeakPolarHBondContact O-CG 3.4Å; V534-M538 PolarHBondContact O-N 3.41Å; V534-M538 VanDerWaalsContact O-N 3.08Å; V534-L549 HydrophobicContact CG2-CB 3.62Å; V534-I588 HydrophobicContact CG2-CG2 4.27Å; V534-R591 HydrophobicContact CG1-CB 4Å; V534-I595 HydrophobicContact CG1-CD1 3.83Å
535	T	92.9	Very high	93.4	Very high	29 Å²	29	47.8 Å²	47.8	18%	0.178	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-39.7	-178.2	-61.1	0	0	0	0	112	L531 I532 M538 Q539	L531-T535 VanDerWaalsContact O-CB 3.3Å; L531-T535 WeakPolarHBondContact O-CB 3.33Å; L531-T535 PolarHBondContact O-N 3.08Å; L531-T535 PolarHBondContact O-OG1 2.61Å; I532-T535 CarbonylContact O-C 3.56Å; I532-T535 PolarHBondContact O-N 3.23Å; T535-M538 WeakPolarHBondContact O-CB 3.06Å; T535-M538 PolarHBondContact O-N 3.23Å; T535-Q539 WeakPolarHBondContact O-CG 3.23Å; T535-Q539 PolarHBondContact O-N 3.09Å
536	V	90.7	Very high	93.7	Very high	43 Å²	43	47.1 Å²	47.1	26%	0.261	26%	0.258	S	S	.	.	H	α-helix	trans	-65.1	-45.7	176.9	170.5	0	0	0	0	110.8	E479 I532 M538 Q539 G540	E479-V536 HydrophobicContact CB-CG2 3.76Å; E479-V536 HydrophobicContact CG-CG2 3.8Å; E479-V536 WeakPolarHBondContact OE2-CG1 3.38Å; E479-V536 WeakPolarHBondContact OE2-CG2 3.02Å; I532-V536 HydrophobicContact CG2-CG2 4.13Å; I532-V536 VanDerWaalsContact O-CG2 3.31Å; I532-V536 WeakPolarHBondContact O-CG2 3.43Å; I532-V536 PolarHBondContact O-N 2.56Å; V536-M538 VanDerWaalsContact C-N 3.29Å; V536-M538 PolarHBondContact O-N 2.81Å; V536-Q539 PolarHBondContact O-N 3.48Å; V536-Q539 VanDerWaalsContact O-N 3.14Å; V536-G540 PolarHBondContact O-N 2.95Å
537	A	94.3	Very high	94	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-60.7	-37.8	175.8	0	0	0	0	0	112.2	E533 V534 G541 Q542 Q545 A546 L549	E533-A537 PolarHBondContact O-N 2.79Å; E533-A537 VanDerWaalsContact O-N 3.1Å; V534-A537 PolarHBondContact O-N 2.85Å; A537-G541 PolarHBondContact O-N 3.12Å; A537-Q542 HydrophobicContact CB-CB 4.46Å; A537-Q542 PolarHBondContact O-N 2.88Å; A537-Q545 HydrophobicContact CB-CG 4.46Å; A537-A546 HydrophobicContact CB-CB 3.76Å; A537-L549 HydrophobicContact CB-CD1 4.1Å
538	M	94.3	Very high	94.1	Very high	23 Å²	23	53 Å²	53	11%	0.113	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-45	172.1	-68.8	173	70.8	0	0	112.6	V534 T535 V536 G541 W543 A546 R591 E594 I595	V534-M538 HydrophobicContact CG1-SD 4.24Å; V534-M538 VanDerWaalsContact O-CG 3.32Å; V534-M538 WeakPolarHBondContact O-CG 3.4Å; V534-M538 PolarHBondContact O-N 3.41Å; V534-M538 VanDerWaalsContact O-N 3.08Å; T535-M538 WeakPolarHBondContact O-CB 3.06Å; T535-M538 PolarHBondContact O-N 3.23Å; V536-M538 VanDerWaalsContact C-N 3.29Å; V536-M538 PolarHBondContact O-N 2.81Å; M538-G541 PolarHBondContact O-N 2.9Å; M538-W543 HydrophobicContact CB-CH2 4.24Å; M538-W543 HydrophobicContact CB-CZ3 3.97Å; M538-W543 HydrophobicContact CE-CZ3 4.19Å; M538-W543 HydrophobicContact CG-CE3 4.46Å; M538-W543 HydrophobicContact CG-CZ3 3.9Å; M538-A546 HydrophobicContact CG-CB 4.03Å; M538-R591 HydrophobicContact SD-CB 3.79Å; M538-R591 HydrophobicContact SD-CG 4.1Å; M538-E594 HydrophobicContact CE-CB 3.73Å; M538-I595 HydrophobicContact CE-CG1 4.24Å; M538-I595 HydrophobicContact CG-CD1 3.96Å; M538-I595 HydrophobicContact CG-CG1 3.74Å; M538-I595 HydrophobicContact SD-CD1 3.89Å; M538-I595 HydrophobicContact SD-CG1 3.85Å
539	Q	91.9	Very high	94.5	Very high	158 Å²	158	54.5 Å²	54.5	74%	0.738	29%	0.288	S	S	*	.	H	α-helix	trans	-65.5	-38.5	179.2	-72.7	177	7.6	0	0	112.3	T535 V536 G541	T535-Q539 WeakPolarHBondContact O-CG 3.23Å; T535-Q539 PolarHBondContact O-N 3.09Å; V536-Q539 PolarHBondContact O-N 3.48Å; V536-Q539 VanDerWaalsContact O-N 3.14Å; Q539-G541 PolarHBondContact O-N 3.09Å
540	G	91.5	Very high	94.8	Very high	56 Å²	56	50.4 Å²	50.4	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-8.1	171.5	0	0	0	0	0	114.3	V536 Q542	V536-G540 PolarHBondContact O-N 2.95Å; G540-Q542 VanDerWaalsContact C-N 3.29Å; G540-Q542 PolarHBondContact O-N 3.25Å
541	G	94.2	Very high	95	Very high	35 Å²	35	53 Å²	53	36%	0.361	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	19.4	-177.1	0	0	0	0	0	114.3	A537 M538 Q539 W543	A537-G541 PolarHBondContact O-N 3.12Å; M538-G541 PolarHBondContact O-N 2.9Å; Q539-G541 PolarHBondContact O-N 3.09Å; G541-W543 VanDerWaalsContact C-N 3.28Å; G541-W543 PolarHBondContact O-N 3.26Å; G541-W543 VanDerWaalsContact O-N 3.14Å; G541-W543 PolarHBondContact O-NE1 3.28Å
542	Q	95.1	Very high	95.3	Very high	95 Å²	95	56.1 Å²	56.1	44%	0.444	31%	0.309	S	S	.	.			trans	-88.2	61	-177.2	-64	165.1	-35.1	0	0	110.1	A537 G540 D544 Q545 A546	A537-Q542 HydrophobicContact CB-CB 4.46Å; A537-Q542 PolarHBondContact O-N 2.88Å; G540-Q542 VanDerWaalsContact C-N 3.29Å; G540-Q542 PolarHBondContact O-N 3.25Å; Q542-D544 VanDerWaalsContact C-N 3.31Å; Q542-D544 PolarHBondContact O-N 3.22Å; Q542-Q545 HydrophobicContact CB-CB 4.16Å; Q542-Q545 WeakPolarHBondContact O-CB 3.46Å; Q542-Q545 PolarHBondContact O-N 3.03Å; Q542-Q545 VanDerWaalsContact O-N 3.08Å; Q542-A546 PolarHBondContact O-N 3Å
543	W	97.3	Very high	95.7	Very high	60 Å²	60	55.5 Å²	55.5	23%	0.227	31%	0.306	C	S	.	.	H	α-helix	trans	-59.2	-34.7	-166.5	-57.3	101.3	0	0	0	114.5	M538 G541 A546 L547 I595 R598 L599	M538-W543 HydrophobicContact CB-CH2 4.24Å; M538-W543 HydrophobicContact CB-CZ3 3.97Å; M538-W543 HydrophobicContact CE-CZ3 4.19Å; M538-W543 HydrophobicContact CG-CE3 4.46Å; M538-W543 HydrophobicContact CG-CZ3 3.9Å; G541-W543 VanDerWaalsContact C-N 3.28Å; G541-W543 PolarHBondContact O-N 3.26Å; G541-W543 VanDerWaalsContact O-N 3.14Å; G541-W543 PolarHBondContact O-NE1 3.28Å; W543-A546 PolarHBondContact O-N 3.44Å; W543-L547 WeakPolarHBondContact O-CB 3.33Å; W543-L547 PolarHBondContact O-N 2.97Å; W543-I595 HydrophobicContact CE3-CG1 4.4Å; W543-R598 HydrophobicContact CD2-CB 4.23Å; W543-R598 HydrophobicContact CD2-CG 3.41Å; W543-R598 VanDerWaalsContact CD2-CG 3.41Å; W543-R598 HydrophobicContact CE3-CB 3.95Å; W543-R598 HydrophobicContact CE3-CG 3.61Å; W543-R598 HydrophobicContact CG-CG 3.95Å; W543-R598 HydrophobicContact CH2-CG 4.1Å; W543-R598 HydrophobicContact CZ2-CG 3.93Å; W543-R598 HydrophobicContact CZ3-CB 4.2Å; W543-R598 HydrophobicContact CZ3-CG 3.94Å; W543-L599 HydrophobicContact CB-CD2 3.72Å; W543-L599 HydrophobicContact CB-CG 4.11Å
544	D	96.6	Very high	96	Very high	104 Å²	104	54.2 Å²	54.2	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-71.4	-36.2	177.4	-52.5	-82.2	0	0	0	112.5	Q542 L547 Q548	Q542-D544 VanDerWaalsContact C-N 3.31Å; Q542-D544 PolarHBondContact O-N 3.22Å; D544-L547 PolarHBondContact O-N 3.03Å; D544-Q548 WeakPolarHBondContact O-CG 3.15Å; D544-Q548 PolarHBondContact O-N 3.04Å
545	Q	96.8	Very high	96.1	Very high	96 Å²	96	60.1 Å²	60.1	45%	0.449	33%	0.325	S	S	.	.	H	α-helix	trans	-69.6	-42.2	172.1	-177.7	178.8	-10.4	0	0	110.7	A537 Q542 L547 Q548 L549	A537-Q545 HydrophobicContact CB-CG 4.46Å; Q542-Q545 HydrophobicContact CB-CB 4.16Å; Q542-Q545 WeakPolarHBondContact O-CB 3.46Å; Q542-Q545 PolarHBondContact O-N 3.03Å; Q542-Q545 VanDerWaalsContact O-N 3.08Å; Q545-L547 VanDerWaalsContact C-N 3.28Å; Q545-L547 PolarHBondContact O-N 3.36Å; Q545-Q548 PolarHBondContact O-N 3.13Å; Q545-L549 HydrophobicContact CG-CD1 4.11Å; Q545-L549 WeakPolarHBondContact O-CG 3.38Å; Q545-L549 PolarHBondContact O-N 3.46Å
546	A	98	Very high	96.3	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-59.3	-40.6	174.2	0	0	0	0	0	111.4	A537 M538 Q542 W543 L549 Y550 I595	A537-A546 HydrophobicContact CB-CB 3.76Å; M538-A546 HydrophobicContact CG-CB 4.03Å; Q542-A546 PolarHBondContact O-N 3Å; W543-A546 PolarHBondContact O-N 3.44Å; A546-L549 PolarHBondContact O-N 3.27Å; A546-Y550 VanDerWaalsContact O-CB 3.3Å; A546-Y550 WeakPolarHBondContact O-CB 3.15Å; A546-Y550 PolarHBondContact O-N 3.48Å; A546-I595 HydrophobicContact CB-CD1 3.74Å; A546-I595 HydrophobicContact CB-CG1 4.01Å; A546-I595 HydrophobicContact CB-CG2 4.4Å
547	L	98.5	Very high	96.6	Very high	23 Å²	23	61 Å²	61	12%	0.12	33%	0.327	C	S	.	.	H	α-helix	trans	-62	-44.6	174.4	176.5	72	0	0	0	111.8	W543 D544 Q545 Y550 T551 I595 L596 L599	W543-L547 WeakPolarHBondContact O-CB 3.33Å; W543-L547 PolarHBondContact O-N 2.97Å; D544-L547 PolarHBondContact O-N 3.03Å; Q545-L547 VanDerWaalsContact C-N 3.28Å; Q545-L547 PolarHBondContact O-N 3.36Å; L547-Y550 HydrophobicContact CD1-CD1 4.2Å; L547-Y550 HydrophobicContact CD1-CE1 4.48Å; L547-T551 VanDerWaalsContact O-CB 3.31Å; L547-T551 WeakPolarHBondContact O-CB 3.44Å; L547-T551 PolarHBondContact O-N 2.99Å; L547-T551 PolarHBondContact O-OG1 3.04Å; L547-I595 HydrophobicContact CB-CG2 3.88Å; L547-I595 HydrophobicContact CD1-CG2 4.4Å; L547-L596 HydrophobicContact CD1-CD2 3.81Å; L547-L599 HydrophobicContact CB-CD1 3.88Å; L547-L599 HydrophobicContact CD1-CD1 4.35Å; L547-L599 HydrophobicContact CD2-CD1 3.75Å; L547-L599 HydrophobicContact CG-CD1 4.2Å
548	Q	98.3	Very high	96.7	Very high	137 Å²	137	65 Å²	65	64%	0.64	35%	0.347	S	S	*	.	H	α-helix	trans	-62.1	-47.9	177.3	-72.4	170.9	10	0	0	111.7	D544 Q545 T551 S552	D544-Q548 WeakPolarHBondContact O-CG 3.15Å; D544-Q548 PolarHBondContact O-N 3.04Å; Q545-Q548 PolarHBondContact O-N 3.13Å; Q548-T551 PolarHBondContact O-N 3.11Å; Q548-S552 WeakPolarHBondContact O-CB 3.42Å; Q548-S552 PolarHBondContact O-N 3.14Å
549	L	98.3	Very high	96.8	Very high	44 Å²	44	68.2 Å²	68.2	23%	0.23	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-47.6	177.8	-68.3	167.1	0	0	0	111.6	E533 V534 A537 Q545 A546 T551 S552 A553	E533-L549 HydrophobicContact CB-CD1 4.23Å; V534-L549 HydrophobicContact CG2-CB 3.62Å; A537-L549 HydrophobicContact CB-CD1 4.1Å; Q545-L549 HydrophobicContact CG-CD1 4.11Å; Q545-L549 WeakPolarHBondContact O-CG 3.38Å; Q545-L549 PolarHBondContact O-N 3.46Å; A546-L549 PolarHBondContact O-N 3.27Å; L549-T551 PolarHBondContact O-N 3.26Å; L549-S552 PolarHBondContact O-N 3.28Å; L549-A553 WeakPolarHBondContact O-CB 3.28Å; L549-A553 PolarHBondContact O-N 3.2Å
550	Y	98.3	Very high	96.9	Very high	9 Å²	9	61.6 Å²	61.6	4%	0.035	33%	0.332	C	S	.	.	H	α-helix	trans	-59.4	-43.9	174.3	151	-106.9	0	0	0	112.2	A546 L547 S552 A553 K554 I588 L589 G592 L596 E608	A546-Y550 VanDerWaalsContact O-CB 3.3Å; A546-Y550 WeakPolarHBondContact O-CB 3.15Å; A546-Y550 PolarHBondContact O-N 3.48Å; L547-Y550 HydrophobicContact CD1-CD1 4.2Å; L547-Y550 HydrophobicContact CD1-CE1 4.48Å; Y550-S552 PolarHBondContact O-N 3.38Å; Y550-A553 PolarHBondContact O-N 3.44Å; Y550-K554 HydrophobicContact CE2-CB 4.16Å; Y550-K554 HydrophobicContact CE2-CD 4.15Å; Y550-K554 WeakPolarHBondContact O-CB 3.26Å; Y550-K554 PolarHBondContact O-N 2.72Å; Y550-I588 HydrophobicContact CD2-CG2 4.37Å; Y550-L589 HydrophobicContact CD2-CD2 4.49Å; Y550-L589 HydrophobicContact CE2-CD2 3.89Å; Y550-G592 VanDerWaalsContact CD2-CA 3.42Å; Y550-L596 HydrophobicContact CE1-CD1 4.04Å; Y550-L596 HydrophobicContact CE1-CG 4.28Å; Y550-E608 PolarHBondContact OH-OE2 3.46Å; Y550-E608 VanDerWaalsContact OH-OE2 3.08Å
551	T	98.3	Very high	96.9	Very high	75 Å²	75	61.5 Å²	61.5	46%	0.46	32%	0.322	S	S	.	.	H	α-helix	trans	-66	-40.4	-178.7	-55.4	0	0	0	0	111.2	L547 Q548 L549 K555	L547-T551 VanDerWaalsContact O-CB 3.31Å; L547-T551 WeakPolarHBondContact O-CB 3.44Å; L547-T551 PolarHBondContact O-N 2.99Å; L547-T551 PolarHBondContact O-OG1 3.04Å; Q548-T551 PolarHBondContact O-N 3.11Å; L549-T551 PolarHBondContact O-N 3.26Å; T551-K555 PolarHBondContact O-N 2.9Å
552	S	98.4	Very high	96.9	Very high	75 Å²	75	64 Å²	64	52%	0.524	33%	0.334	S	S	.	.	H	α-helix	trans	-60.9	-52	173.1	-167.5	0	0	0	0	111.1	Q548 L549 Y550 K554 K555 T556	Q548-S552 WeakPolarHBondContact O-CB 3.42Å; Q548-S552 PolarHBondContact O-N 3.14Å; L549-S552 PolarHBondContact O-N 3.28Å; Y550-S552 PolarHBondContact O-N 3.38Å; S552-K554 PolarHBondContact O-N 3.28Å; S552-K555 WeakPolarHBondContact O-CB 3.15Å; S552-K555 PolarHBondContact O-N 3.48Å; S552-K555 VanDerWaalsContact O-N 3.13Å; S552-T556 PolarHBondContact O-N 2.93Å; S552-T556 PolarHBondContact O-OG1 3.42Å
553	A	98.2	Very high	96.7	Very high	7 Å²	7	65.6 Å²	65.6	6%	0.058	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-38.4	179.1	0	0	0	0	0	113.2	L549 Y550 T556 W557 Y585 I588	L549-A553 WeakPolarHBondContact O-CB 3.28Å; L549-A553 PolarHBondContact O-N 3.2Å; Y550-A553 PolarHBondContact O-N 3.44Å; A553-T556 PolarHBondContact O-N 2.9Å; A553-W557 WeakPolarHBondContact O-CB 3.38Å; A553-W557 PolarHBondContact O-N 3.04Å; A553-Y585 HydrophobicContact CB-CD1 4.43Å; A553-Y585 HydrophobicContact CB-CE1 4.09Å; A553-Y585 WeakPolarHBondContact O-CE1 3.2Å; A553-I588 HydrophobicContact CB-CD1 4.06Å; A553-I588 HydrophobicContact CB-CG2 3.82Å
554	K	98.2	Very high	96.3	Very high	66 Å²	66	66.9 Å²	66.9	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-62.8	-41.7	173.7	177.1	172.4	175.5	179.8	0	111.5	Y550 S552 W557 I558 L589 E608	Y550-K554 HydrophobicContact CE2-CB 4.16Å; Y550-K554 HydrophobicContact CE2-CD 4.15Å; Y550-K554 WeakPolarHBondContact O-CB 3.26Å; Y550-K554 PolarHBondContact O-N 2.72Å; S552-K554 PolarHBondContact O-N 3.28Å; K554-W557 PolarHBondContact O-N 3.25Å; K554-I558 HydrophobicContact CG-CD1 3.98Å; K554-I558 WeakPolarHBondContact O-CG1 3.31Å; K554-I558 PolarHBondContact O-N 2.74Å; K554-I558 VanDerWaalsContact O-N 3.08Å; K554-L589 HydrophobicContact CB-CD2 3.71Å; K554-L589 HydrophobicContact CD-CD2 4.08Å; K554-L589 HydrophobicContact CG-CD2 3.75Å; K554-E608 WeakPolarHBondContact CE-OE2 3.43Å; K554-E608 IonicContact NZ-OE2 2.68Å; K554-E608 PolarHBondContact NZ-OE2 3.08Å
555	K	97.9	Very high	96	Very high	126 Å²	126	66.4 Å²	66.4	55%	0.548	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-52.2	174.3	-179.1	-176.1	165.6	-178.2	0	110.7	T551 S552 W557 I558 E559	T551-K555 PolarHBondContact O-N 2.9Å; S552-K555 WeakPolarHBondContact O-CB 3.15Å; S552-K555 PolarHBondContact O-N 3.48Å; S552-K555 VanDerWaalsContact O-N 3.13Å; K555-W557 VanDerWaalsContact C-N 3.26Å; K555-W557 PolarHBondContact O-N 3.17Å; K555-I558 PolarHBondContact O-N 3.15Å; K555-I558 VanDerWaalsContact O-N 3.16Å; K555-E559 WeakPolarHBondContact CE-OE1 3.43Å; K555-E559 WeakPolarHBondContact CE-OE2 3.44Å; K555-E559 IonicContact NZ-OE1 2.73Å; K555-E559 PolarHBondContact NZ-OE1 3.03Å; K555-E559 WeakPolarHBondContact O-CG 3.41Å; K555-E559 PolarHBondContact O-N 2.83Å
556	T	97.6	Very high	95.8	Very high	60 Å²	60	62.7 Å²	62.7	37%	0.368	34%	0.335	S	S	.	.	H	α-helix	trans	-58.2	-38.1	178.5	-52.8	0	0	0	0	112.1	S552 A553 E559 L560 Y585	S552-T556 PolarHBondContact O-N 2.93Å; S552-T556 PolarHBondContact O-OG1 3.42Å; A553-T556 PolarHBondContact O-N 2.9Å; T556-E559 PolarHBondContact O-N 2.88Å; T556-L560 VanDerWaalsContact O-CB 3.27Å; T556-L560 WeakPolarHBondContact O-CB 3.48Å; T556-L560 PolarHBondContact O-N 2.87Å; T556-Y585 WeakPolarHBondContact CG2-OH 3.43Å
557	W	97.3	Very high	95.5	Very high	30 Å²	30	65.1 Å²	65.1	11%	0.114	35%	0.352	C	S	.	.	H	α-helix	trans	-63.1	-47.6	175.5	176.2	-121	0	0	0	112.7	A553 K554 K555 E559 L560 S561 L566 Y585	A553-W557 WeakPolarHBondContact O-CB 3.38Å; A553-W557 PolarHBondContact O-N 3.04Å; K554-W557 PolarHBondContact O-N 3.25Å; K555-W557 VanDerWaalsContact C-N 3.26Å; K555-W557 PolarHBondContact O-N 3.17Å; W557-E559 VanDerWaalsContact C-N 3.31Å; W557-E559 PolarHBondContact O-N 3.22Å; W557-L560 HydrophobicContact CE3-CD2 4.15Å; W557-L560 HydrophobicContact CZ3-CD2 4.13Å; W557-L560 PolarHBondContact O-N 2.86Å; W557-S561 WeakPolarHBondContact O-CB 3.29Å; W557-S561 PolarHBondContact O-N 3.43Å; W557-S561 PolarHBondContact O-OG 2.6Å; W557-S561 VanDerWaalsContact O-OG 3.08Å; W557-L566 HydrophobicContact CH2-CD1 3.52Å; W557-L566 HydrophobicContact CZ3-CD1 3.84Å; W557-Y585 HydrophobicContact CB-CD1 3.72Å; W557-Y585 HydrophobicContact CB-CD2 4.37Å; W557-Y585 HydrophobicContact CB-CE1 4.23Å; W557-Y585 HydrophobicContact CB-CG 3.81Å; W557-Y585 HydrophobicContact CD2-CD2 4.15Å; W557-Y585 AromaticContact CD2-CG 3.97Å; W557-Y585 HydrophobicContact CD2-CG 3.97Å; W557-Y585 AromaticContact CE3-CD2 3.44Å; W557-Y585 HydrophobicContact CE3-CD2 3.44Å; W557-Y585 VanDerWaalsContact CE3-CD2 3.44Å; W557-Y585 HydrophobicContact CE3-CE2 4.24Å; W557-Y585 AromaticContact CE3-CG 3.75Å; W557-Y585 HydrophobicContact CE3-CG 3.75Å; W557-Y585 HydrophobicContact CG-CD1 4.38Å; W557-Y585 HydrophobicContact CG-CG 4.02Å; W557-Y585 HydrophobicContact CZ3-CD2 4.13Å
558	I	96.1	Very high	95.3	Very high	85 Å²	85	65.7 Å²	65.7	44%	0.436	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-41.3	178.2	-67.6	164.2	0	0	0	110.9	K554 K555 S561 S562	K554-I558 HydrophobicContact CG-CD1 3.98Å; K554-I558 WeakPolarHBondContact O-CG1 3.31Å; K554-I558 PolarHBondContact O-N 2.74Å; K554-I558 VanDerWaalsContact O-N 3.08Å; K555-I558 PolarHBondContact O-N 3.15Å; K555-I558 VanDerWaalsContact O-N 3.16Å; I558-S561 PolarHBondContact O-OG 3.46Å; I558-S562 WeakPolarHBondContact O-CB 3.44Å; I558-S562 PolarHBondContact O-N 3.35Å; I558-S562 PolarHBondContact O-OG 3.48Å
559	E	95.9	Very high	95.1	Very high	91 Å²	91	59.3 Å²	59.3	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-67.1	-38.2	176.4	-70.5	173.7	151.1	0	0	111.6	K555 T556 W557 N563	K555-E559 WeakPolarHBondContact CE-OE1 3.43Å; K555-E559 WeakPolarHBondContact CE-OE2 3.44Å; K555-E559 IonicContact NZ-OE1 2.73Å; K555-E559 PolarHBondContact NZ-OE1 3.03Å; K555-E559 WeakPolarHBondContact O-CG 3.41Å; K555-E559 PolarHBondContact O-N 2.83Å; T556-E559 PolarHBondContact O-N 2.88Å; W557-E559 VanDerWaalsContact C-N 3.31Å; W557-E559 PolarHBondContact O-N 3.22Å; E559-N563 WeakPolarHBondContact O-CB 3.4Å; E559-N563 PolarHBondContact O-N 2.89Å; E559-N563 PolarHBondContact O-ND2 2.85Å
560	L	94.3	Very high	94.9	Very high	20 Å²	20	61.7 Å²	61.7	11%	0.105	33%	0.333	C	S	.	.	H	α-helix	trans	-68.8	-52.9	177	-174.7	71.7	0	0	0	111.5	T556 W557 S562 N563 H564 T581 Y585	T556-L560 VanDerWaalsContact O-CB 3.27Å; T556-L560 WeakPolarHBondContact O-CB 3.48Å; T556-L560 PolarHBondContact O-N 2.87Å; W557-L560 HydrophobicContact CE3-CD2 4.15Å; W557-L560 HydrophobicContact CZ3-CD2 4.13Å; W557-L560 PolarHBondContact O-N 2.86Å; L560-S562 PolarHBondContact O-N 3.14Å; L560-N563 PolarHBondContact O-N 3.28Å; L560-H564 HydrophobicContact CD1-CB 4.3Å; L560-H564 PolarHBondContact O-N 3.26Å; L560-T581 HydrophobicContact CD2-CG2 3.56Å; L560-Y585 HydrophobicContact CD2-CE2 4.23Å
561	S	92.4	Very high	94.7	Very high	53 Å²	53	68.4 Å²	68.4	37%	0.371	37%	0.365	S	S	.	.	H	α-helix	trans	-67.8	-15.9	-175.7	66.9	0	0	0	0	114.1	W557 I558	W557-S561 WeakPolarHBondContact O-CB 3.29Å; W557-S561 PolarHBondContact O-N 3.43Å; W557-S561 PolarHBondContact O-OG 2.6Å; W557-S561 VanDerWaalsContact O-OG 3.08Å; I558-S561 PolarHBondContact O-OG 3.46Å
562	S	92.6	Very high	94.7	Very high	88 Å²	88	65.2 Å²	65.2	62%	0.615	35%	0.345	S	S	*	.	H	α-helix	trans	-88.4	-23.4	173.3	-55.4	0	0	0	0	113.2	I558 L560	I558-S562 WeakPolarHBondContact O-CB 3.44Å; I558-S562 PolarHBondContact O-N 3.35Å; I558-S562 PolarHBondContact O-OG 3.48Å; L560-S562 PolarHBondContact O-N 3.14Å
563	N	91.7	Very high	94.5	Very high	128 Å²	128	63.9 Å²	63.9	68%	0.684	34%	0.335	S	S	*	.	H	α-helix	trans	-114.1	-10.6	-169.4	-68.9	-45.5	0	0	0	114.2	E559 L560	E559-N563 WeakPolarHBondContact O-CB 3.4Å; E559-N563 PolarHBondContact O-N 2.89Å; E559-N563 PolarHBondContact O-ND2 2.85Å; L560-N563 PolarHBondContact O-N 3.28Å
564	H	89.3	Confident	94.4	Very high	88 Å²	88	65.5 Å²	65.5	41%	0.407	34%	0.344	S	S	.	.	S	Bend	trans	-124.7	140.6	-176.6	-68.9	59.9	0	0	0	111.5	L560 L566	L560-H564 HydrophobicContact CD1-CB 4.3Å; L560-H564 PolarHBondContact O-N 3.26Å; H564-L566 HydrophobicContact CB-CD2 4.46Å; H564-L566 PolarHBondContact O-N 3.46Å
565	D	89.6	Confident	94.2	Very high	93 Å²	93	62.9 Å²	62.9	50%	0.497	33%	0.333	S	S	.	.			trans	-71.3	118.1	167.8	166	38.5	0	0	0	110.6	R516 S567	R516-D565 IonicContact CZ-OD2 2.7Å; R516-D565 IonicContact NH1-OD2 2.65Å; R516-D565 PolarHBondContact NH1-OD2 3.36Å; R516-D565 IonicContact NH2-OD2 3.32Å; D565-S567 VanDerWaalsContact CG-OG 3.29Å; D565-S567 WeakPolarHBondContact OD1-CB 3.47Å; D565-S567 PolarHBondContact OD1-N 2.82Å; D565-S567 PolarHBondContact OD1-OG 3.2Å; D565-S567 PolarHBondContact OD2-OG 3.49Å
566	L	91.8	Very high	94	Very high	19 Å²	19	56.9 Å²	56.9	10%	0.099	31%	0.307	C	S	.	.			trans	-109.9	5	178.4	-58.3	-179.6	0	0	0	113.2	W557 H564 H568 Q569 E570	W557-L566 HydrophobicContact CH2-CD1 3.52Å; W557-L566 HydrophobicContact CZ3-CD1 3.84Å; H564-L566 HydrophobicContact CB-CD2 4.46Å; H564-L566 PolarHBondContact O-N 3.46Å; L566-H568 VanDerWaalsContact C-N 3.3Å; L566-H568 PolarHBondContact O-N 3.03Å; L566-Q569 WeakPolarHBondContact O-CA 3.4Å; L566-Q569 WeakPolarHBondContact O-CB 3.4Å; L566-Q569 PolarHBondContact O-N 3.33Å; L566-E570 PolarHBondContact O-N 3.4Å
567	S	92.6	Very high	94	Very high	51 Å²	51	55.7 Å²	55.7	36%	0.357	30%	0.295	S	S	.	.	H	α-helix	trans	-47.3	-47.7	-176	53.5	0	0	0	0	113.6	D565 Q569 E570 E571	D565-S567 VanDerWaalsContact CG-OG 3.29Å; D565-S567 WeakPolarHBondContact OD1-CB 3.47Å; D565-S567 PolarHBondContact OD1-N 2.82Å; D565-S567 PolarHBondContact OD1-OG 3.2Å; D565-S567 PolarHBondContact OD2-OG 3.49Å; S567-Q569 VanDerWaalsContact C-N 3.26Å; S567-Q569 PolarHBondContact O-N 2.94Å; S567-E570 CarbonylContact O-C 3.24Å; S567-E570 VanDerWaalsContact O-CA 3.3Å; S567-E570 WeakPolarHBondContact O-CA 3.48Å; S567-E570 WeakPolarHBondContact O-CB 3.45Å; S567-E570 PolarHBondContact O-N 2.73Å; S567-E571 PolarHBondContact O-N 3.2Å
568	H	94.3	Very high	93.8	Very high	34 Å²	34	55.7 Å²	55.7	16%	0.157	30%	0.3	C	S	.	.	H	α-helix	trans	-49.5	-39.5	173.1	176.3	-92.9	0	0	0	114.3	K513 R516 L566 E570 E571 L572	K513-H568 PolarHBondContact O-CE1 2.98Å; K513-H568 PolarHBondContact O-NE2 3.09Å; R516-H568 HydrophobicContact CG-CB 4.17Å; R516-H568 WeakPolarHBondContact CG-ND1 3.38Å; L566-H568 VanDerWaalsContact C-N 3.3Å; L566-H568 PolarHBondContact O-N 3.03Å; H568-E570 VanDerWaalsContact C-N 3.26Å; H568-E570 PolarHBondContact O-N 3.28Å; H568-E571 PolarHBondContact O-N 2.79Å; H568-L572 WeakPolarHBondContact O-CG 3.46Å; H568-L572 PolarHBondContact O-N 3.22Å; H568-L572 VanDerWaalsContact O-N 3.14Å
569	Q	94.8	Very high	93.6	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-70	-26.4	176.6	-58.6	-176.4	11.2	0	0	111.3	D520 L566 S567 R577 T580 G582 Y618	D520-Q569 PolarHBondContact OD1-NE2 2.91Å; L566-Q569 WeakPolarHBondContact O-CA 3.4Å; L566-Q569 WeakPolarHBondContact O-CB 3.4Å; L566-Q569 PolarHBondContact O-N 3.33Å; S567-Q569 VanDerWaalsContact C-N 3.26Å; S567-Q569 PolarHBondContact O-N 2.94Å; Q569-R577 VanDerWaalsContact O-CD 3.29Å; Q569-R577 WeakPolarHBondContact O-CD 3.21Å; Q569-R577 VanDerWaalsContact O-CG 3.22Å; Q569-R577 WeakPolarHBondContact O-CG 3.38Å; Q569-R577 PolarHBondContact O-NE 3Å; Q569-R577 VanDerWaalsContact O-NE 3.07Å; Q569-T580 HydrophobicContact CB-CG2 4.09Å; Q569-T580 HydrophobicContact CG-CG2 3.93Å; Q569-T580 PolarHBondContact OE1-OG1 3.31Å; Q569-G582 VanDerWaalsContact OE1-N 3.13Å; Q569-Y618 HydrophobicContact CB-CE1 4.49Å
570	E	93.5	Very high	93.6	Very high	94 Å²	94	48.6 Å²	48.6	44%	0.439	27%	0.265	S	S	.	.	H	α-helix	trans	-83.9	-22.2	176.2	-35.5	-153.7	153.5	0	0	112.9	L566 S567 H568 R577 V617	L566-E570 PolarHBondContact O-N 3.4Å; S567-E570 CarbonylContact O-C 3.24Å; S567-E570 VanDerWaalsContact O-CA 3.3Å; S567-E570 WeakPolarHBondContact O-CA 3.48Å; S567-E570 WeakPolarHBondContact O-CB 3.45Å; S567-E570 PolarHBondContact O-N 2.73Å; H568-E570 VanDerWaalsContact C-N 3.26Å; H568-E570 PolarHBondContact O-N 3.28Å; E570-R577 VanDerWaalsContact O-CZ 3.31Å; E570-R577 PolarHBondContact O-NH2 2.94Å; E570-V617 HydrophobicContact CB-CG1 3.92Å; E570-V617 HydrophobicContact CG-CG1 3.69Å; E570-V617 HydrophobicContact CG-CG2 4.4Å
571	E	94.8	Very high	93.7	Very high	150 Å²	150	47.7 Å²	47.7	70%	0.701	26%	0.26	S	S	*	.	H	α-helix	trans	-77.4	-36.8	172.2	-68.8	173.4	165.9	0	0	112.2	S567 H568	S567-E571 PolarHBondContact O-N 3.2Å; H568-E571 PolarHBondContact O-N 2.79Å
572	L	96.7	Very high	93.9	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.047	24%	0.242	C	C	.	.	S	Bend	trans	-54.9	137	177.8	-77.7	173.8	0	0	0	112.2	A512 H568 L576 R577 T580	A512-L572 HydrophobicContact CB-CD2 3.93Å; H568-L572 WeakPolarHBondContact O-CG 3.46Å; H568-L572 PolarHBondContact O-N 3.22Å; H568-L572 VanDerWaalsContact O-N 3.14Å; L572-L576 HydrophobicContact CB-CB 4.43Å; L572-L576 HydrophobicContact CD2-CB 4.22Å; L572-L576 HydrophobicContact CD2-CD1 4.07Å; L572-R577 HydrophobicContact CB-CB 4.42Å; L572-R577 VanDerWaalsContact O-CZ 3.32Å; L572-R577 PolarHBondContact O-NE 3.32Å; L572-R577 PolarHBondContact O-NH2 3.5Å; L572-T580 HydrophobicContact CD1-CG2 3.78Å
573	P	95.9	Very high	94.1	Very high	46 Å²	46	42.3 Å²	42.3	30%	0.299	22%	0.218	S	C	.	.			trans	-61	152.2	175.3	27.8	-35.5	0	0	0	110.8	F575 L576 R577	P573-F575 HydrophobicContact CB-CD1 4Å; P573-F575 HydrophobicContact CB-CE1 3.66Å; P573-F575 HydrophobicContact CB-CZ 4.15Å; P573-F575 HydrophobicContact CG-CD1 4.4Å; P573-F575 HydrophobicContact CG-CE1 3.88Å; P573-F575 HydrophobicContact CG-CE2 4.31Å; P573-F575 HydrophobicContact CG-CZ 3.84Å; P573-F575 PolarHBondContact O-N 2.97Å; P573-L576 HydrophobicContact CG-CB 4.24Å; P573-L576 HydrophobicContact CG-CD1 3.87Å; P573-L576 HydrophobicContact CG-CG 3.97Å; P573-L576 PolarHBondContact O-N 2.69Å; P573-R577 PolarHBondContact O-N 3.02Å
574	V	94.8	Very high	94.3	Very high	41 Å²	41	36.2 Å²	36.2	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-56	-33.4	-167.6	-179.1	0	0	0	0	113.2	R577 S578 W583 P620 T795	V574-R577 PolarHBondContact O-N 3.09Å; V574-S578 PolarHBondContact O-N 3.24Å; V574-W583 HydrophobicContact CG1-CH2 3.9Å; V574-W583 HydrophobicContact CG1-CZ3 4.1Å; V574-P620 HydrophobicContact CG1-CG 4.31Å; V574-T795 HydrophobicContact CG1-CG2 4.26Å
575	F	93.9	Very high	94.7	Very high	12 Å²	12	33 Å²	33	5%	0.053	17%	0.17	C	C	.	.	H	α-helix	trans	-75.5	-16.1	178.1	66.5	-97.4	0	0	0	115.1	P573 S578 F579 D780 V781 L791 D792 T795 C797	P573-F575 HydrophobicContact CB-CD1 4Å; P573-F575 HydrophobicContact CB-CE1 3.66Å; P573-F575 HydrophobicContact CB-CZ 4.15Å; P573-F575 HydrophobicContact CG-CD1 4.4Å; P573-F575 HydrophobicContact CG-CE1 3.88Å; P573-F575 HydrophobicContact CG-CE2 4.31Å; P573-F575 HydrophobicContact CG-CZ 3.84Å; P573-F575 PolarHBondContact O-N 2.97Å; F575-S578 PolarHBondContact O-OG 3.28Å; F575-F579 WeakPolarHBondContact O-CE2 3.2Å; F575-D780 HydrophobicContact CE2-CB 4.12Å; F575-D780 HydrophobicContact CZ-CB 4.49Å; F575-V781 HydrophobicContact CE1-CG1 4.4Å; F575-V781 HydrophobicContact CE2-CG1 3.89Å; F575-V781 HydrophobicContact CZ-CG1 3.78Å; F575-L791 HydrophobicContact CB-CB 4.43Å; F575-L791 HydrophobicContact CD2-CB 3.67Å; F575-L791 HydrophobicContact CD2-CD1 4.41Å; F575-L791 HydrophobicContact CE2-CB 4.37Å; F575-L791 HydrophobicContact CG-CB 4.42Å; F575-D792 HydrophobicContact CB-CB 4.21Å; F575-D792 HydrophobicContact CD1-CB 3.58Å; F575-D792 HydrophobicContact CD2-CB 4.42Å; F575-D792 HydrophobicContact CE1-CB 3.97Å; F575-D792 HydrophobicContact CG-CB 3.83Å; F575-T795 HydrophobicContact CB-CG2 3.97Å; F575-C797 HydrophobicContact CD1-CB 4.04Å; F575-C797 HydrophobicContact CE1-CB 4.26Å
576	L	95.4	Very high	95.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-96.8	-34.4	167.5	-62.5	-176.4	0	0	0	111.4	A512 V514 L572 P573 S578 F579 D780 L791	A512-L576 HydrophobicContact CB-CD1 3.58Å; V514-L576 HydrophobicContact CG2-CB 4.5Å; V514-L576 HydrophobicContact CG2-CD1 4.39Å; V514-L576 HydrophobicContact CG2-CD2 4.16Å; L572-L576 HydrophobicContact CB-CB 4.43Å; L572-L576 HydrophobicContact CD2-CB 4.22Å; L572-L576 HydrophobicContact CD2-CD1 4.07Å; P573-L576 HydrophobicContact CG-CB 4.24Å; P573-L576 HydrophobicContact CG-CD1 3.87Å; P573-L576 HydrophobicContact CG-CG 3.97Å; P573-L576 PolarHBondContact O-N 2.69Å; L576-S578 PolarHBondContact O-N 3.26Å; L576-S578 VanDerWaalsContact O-N 3.09Å; L576-F579 WeakPolarHBondContact O-CD2 3.25Å; L576-F579 PolarHBondContact O-N 2.87Å; L576-D780 HydrophobicContact CD1-CB 3.84Å; L576-D780 HydrophobicContact CD2-CB 4.36Å; L576-D780 HydrophobicContact CG-CB 4.47Å; L576-L791 HydrophobicContact CD2-CD1 3.67Å
577	R	96.1	Very high	95.4	Very high	34 Å²	34	32.7 Å²	32.7	13%	0.128	16%	0.161	C	C	.	.	H	α-helix	trans	-57.2	-24.6	176.9	-166.4	178	-49.3	176.7	0.7	113	Q569 E570 L572 P573 V574 F579 T580 W583 V617 Y618	Q569-R577 VanDerWaalsContact O-CD 3.29Å; Q569-R577 WeakPolarHBondContact O-CD 3.21Å; Q569-R577 VanDerWaalsContact O-CG 3.22Å; Q569-R577 WeakPolarHBondContact O-CG 3.38Å; Q569-R577 PolarHBondContact O-NE 3Å; Q569-R577 VanDerWaalsContact O-NE 3.07Å; E570-R577 VanDerWaalsContact O-CZ 3.31Å; E570-R577 PolarHBondContact O-NH2 2.94Å; L572-R577 HydrophobicContact CB-CB 4.42Å; L572-R577 VanDerWaalsContact O-CZ 3.32Å; L572-R577 PolarHBondContact O-NE 3.32Å; L572-R577 PolarHBondContact O-NH2 3.5Å; P573-R577 PolarHBondContact O-N 3.02Å; V574-R577 PolarHBondContact O-N 3.09Å; R577-F579 PolarHBondContact O-N 3.23Å; R577-T580 PolarHBondContact O-N 2.96Å; R577-T580 PolarHBondContact O-OG1 3.29Å; R577-W583 HydrophobicContact CB-CE3 4.42Å; R577-W583 HydrophobicContact CG-CE3 4.07Å; R577-W583 HydrophobicContact CG-CZ3 4.49Å; R577-W583 VanDerWaalsContact O-CB 3.23Å; R577-W583 WeakPolarHBondContact O-CB 3.42Å; R577-V617 WeakPolarHBondContact CD-O 3.47Å; R577-V617 PolarHBondContact NH1-O 3.05Å; R577-Y618 HydrophobicContact CG-CD1 4.33Å; R577-Y618 HydrophobicContact CG-CE1 4.33Å
578	S	92.7	Very high	95.6	Very high	31 Å²	31	30.2 Å²	30.2	22%	0.217	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.3	171.3	39.3	0	0	0	0	115.2	V574 F575 L576	V574-S578 PolarHBondContact O-N 3.24Å; F575-S578 PolarHBondContact O-OG 3.28Å; L576-S578 PolarHBondContact O-N 3.26Å; L576-S578 VanDerWaalsContact O-N 3.09Å
579	F	93.4	Very high	95.8	Very high	25 Å²	25	29.3 Å²	29.3	11%	0.11	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	23.8	179.7	-48.5	-63.7	0	0	0	113.1	L473 V514 F515 Y524 F575 L576 R577 L791	L473-F579 HydrophobicContact CB-CD1 4.26Å; L473-F579 HydrophobicContact CB-CE1 4.38Å; L473-F579 HydrophobicContact CB-CG 4.45Å; L473-F579 WeakPolarHBondContact O-CD1 3.23Å; L473-F579 WeakPolarHBondContact O-CE1 3.25Å; V514-F579 HydrophobicContact CG1-CB 3.85Å; F515-F579 VanDerWaalsContact CE1-O 3.29Å; F515-F579 WeakPolarHBondContact CE1-O 3.34Å; Y524-F579 WeakPolarHBondContact CD2-O 3.11Å; Y524-F579 HydrophobicContact CE1-CB 4.49Å; Y524-F579 VanDerWaalsContact CE2-O 3.31Å; Y524-F579 WeakPolarHBondContact CE2-O 3.18Å; F575-F579 WeakPolarHBondContact O-CE2 3.2Å; L576-F579 WeakPolarHBondContact O-CD2 3.25Å; L576-F579 PolarHBondContact O-N 2.87Å; R577-F579 PolarHBondContact O-N 3.23Å; F579-L791 HydrophobicContact CE2-CD1 4.23Å
580	T	95.5	Very high	96	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	14%	0.143	C	C	.	.	S	Bend	trans	-111.3	159.3	-179	72.3	0	0	0	0	113.4	Q569 L572 R577 G582 W583 A584	Q569-T580 HydrophobicContact CB-CG2 4.09Å; Q569-T580 HydrophobicContact CG-CG2 3.93Å; Q569-T580 PolarHBondContact OE1-OG1 3.31Å; L572-T580 HydrophobicContact CD1-CG2 3.78Å; R577-T580 PolarHBondContact O-N 2.96Å; R577-T580 PolarHBondContact O-OG1 3.29Å; T580-G582 PolarHBondContact O-N 3.09Å; T580-W583 PolarHBondContact O-N 3.47Å; T580-A584 PolarHBondContact O-N 3.02Å; T580-A584 VanDerWaalsContact O-N 3.09Å
581	T	95.9	Very high	96.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.137	C	C	.	.	H	α-helix	trans	-57.2	-44.4	179.4	-59.6	0	0	0	0	112.5	R523 Y524 L560 W583 A584 Y585	R523-T581 HydrophobicContact CB-CG2 4.16Å; Y524-T581 WeakPolarHBondContact CA-OG1 3.45Å; Y524-T581 PolarHBondContact N-OG1 3.33Å; L560-T581 HydrophobicContact CD2-CG2 3.56Å; T581-W583 VanDerWaalsContact C-N 3.32Å; T581-W583 PolarHBondContact O-N 3.48Å; T581-A584 PolarHBondContact O-N 3.28Å; T581-Y585 HydrophobicContact CG2-CD2 3.72Å; T581-Y585 HydrophobicContact CG2-CE2 3.63Å; T581-Y585 WeakPolarHBondContact O-CD2 3.43Å; T581-Y585 PolarHBondContact O-N 3.23Å
582	G	96.8	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-33	179.4	0	0	0	0	0	113.9	Q569 T580 T586 Y618	Q569-G582 VanDerWaalsContact OE1-N 3.13Å; T580-G582 PolarHBondContact O-N 3.09Å; G582-T586 WeakPolarHBondContact O-CB 3.33Å; G582-T586 PolarHBondContact O-N 3.04Å; G582-T586 PolarHBondContact O-OG1 3.43Å; G582-Y618 VanDerWaalsContact C-CD1 3.44Å
583	W	96.6	Very high	96.5	Very high	28 Å²	28	21.9 Å²	21.9	11%	0.106	10%	0.103	C	C	.	.	H	α-helix	trans	-70.2	-42.1	174.8	-168.1	-82.7	0	0	0	111.9	V574 R577 T580 T581 T586 R587 Y618	V574-W583 HydrophobicContact CG1-CH2 3.9Å; V574-W583 HydrophobicContact CG1-CZ3 4.1Å; R577-W583 HydrophobicContact CB-CE3 4.42Å; R577-W583 HydrophobicContact CG-CE3 4.07Å; R577-W583 HydrophobicContact CG-CZ3 4.49Å; R577-W583 VanDerWaalsContact O-CB 3.23Å; R577-W583 WeakPolarHBondContact O-CB 3.42Å; T580-W583 PolarHBondContact O-N 3.47Å; T581-W583 VanDerWaalsContact C-N 3.32Å; T581-W583 PolarHBondContact O-N 3.48Å; W583-T586 PolarHBondContact O-N 2.82Å; W583-R587 WeakPolarHBondContact O-CG 3.35Å; W583-R587 PolarHBondContact O-N 3.47Å; W583-Y618 HydrophobicContact CB-CD1 4Å; W583-Y618 HydrophobicContact CE3-CD1 4.25Å; W583-Y618 VanDerWaalsContact N-CD1 3.3Å
584	A	95.5	Very high	96.6	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-60.8	-47.1	175.3	0	0	0	0	0	111.8	Y524 S527 M528 T580 T581 T586 R587 I588	Y524-A584 HydrophobicContact CE2-CB 4.48Å; S527-A584 WeakPolarHBondContact OG-CB 3.46Å; M528-A584 HydrophobicContact CG-CB 4.44Å; M528-A584 HydrophobicContact SD-CB 4.18Å; T580-A584 PolarHBondContact O-N 3.02Å; T580-A584 VanDerWaalsContact O-N 3.09Å; T581-A584 PolarHBondContact O-N 3.28Å; A584-T586 PolarHBondContact O-N 3.22Å; A584-R587 WeakPolarHBondContact O-CB 3.47Å; A584-R587 PolarHBondContact O-N 2.96Å; A584-I588 WeakPolarHBondContact O-CG1 3.34Å; A584-I588 PolarHBondContact O-N 3.23Å; A584-I588 VanDerWaalsContact O-N 3.09Å
585	Y	97.9	Very high	96.8	Very high	19 Å²	19	19.8 Å²	19.8	8%	0.075	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-39.6	174.9	-80.2	-68.9	0	0	0	112.8	A553 T556 W557 L560 T581 R587 I588 L589	A553-Y585 HydrophobicContact CB-CD1 4.43Å; A553-Y585 HydrophobicContact CB-CE1 4.09Å; A553-Y585 WeakPolarHBondContact O-CE1 3.2Å; T556-Y585 WeakPolarHBondContact CG2-OH 3.43Å; W557-Y585 HydrophobicContact CB-CD1 3.72Å; W557-Y585 HydrophobicContact CB-CD2 4.37Å; W557-Y585 HydrophobicContact CB-CE1 4.23Å; W557-Y585 HydrophobicContact CB-CG 3.81Å; W557-Y585 HydrophobicContact CD2-CD2 4.15Å; W557-Y585 AromaticContact CD2-CG 3.97Å; W557-Y585 HydrophobicContact CD2-CG 3.97Å; W557-Y585 AromaticContact CE3-CD2 3.44Å; W557-Y585 HydrophobicContact CE3-CD2 3.44Å; W557-Y585 VanDerWaalsContact CE3-CD2 3.44Å; W557-Y585 HydrophobicContact CE3-CE2 4.24Å; W557-Y585 AromaticContact CE3-CG 3.75Å; W557-Y585 HydrophobicContact CE3-CG 3.75Å; W557-Y585 HydrophobicContact CG-CD1 4.38Å; W557-Y585 HydrophobicContact CG-CG 4.02Å; W557-Y585 HydrophobicContact CZ3-CD2 4.13Å; L560-Y585 HydrophobicContact CD2-CE2 4.23Å; T581-Y585 HydrophobicContact CG2-CD2 3.72Å; T581-Y585 HydrophobicContact CG2-CE2 3.63Å; T581-Y585 WeakPolarHBondContact O-CD2 3.43Å; T581-Y585 PolarHBondContact O-N 3.23Å; Y585-R587 VanDerWaalsContact C-N 3.26Å; Y585-R587 PolarHBondContact O-N 3.03Å; Y585-I588 HydrophobicContact CD1-CD1 3.89Å; Y585-I588 HydrophobicContact CE1-CD1 4.21Å; Y585-I588 CarbonylContact O-C 3.54Å; Y585-I588 WeakPolarHBondContact O-CA 3.13Å; Y585-I588 WeakPolarHBondContact O-CB 3.31Å; Y585-I588 PolarHBondContact O-N 3.24Å; Y585-L589 WeakPolarHBondContact O-CG 3.27Å; Y585-L589 PolarHBondContact O-N 3.18Å
586	T	98.2	Very high	97	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.025	9%	0.085	C	C	.	.	H	α-helix	trans	-60	-36.1	175	-59.5	0	0	0	0	112	G582 W583 A584 L589 S590 L612 Y618 C619 W626	G582-T586 WeakPolarHBondContact O-CB 3.33Å; G582-T586 PolarHBondContact O-N 3.04Å; G582-T586 PolarHBondContact O-OG1 3.43Å; W583-T586 PolarHBondContact O-N 2.82Å; A584-T586 PolarHBondContact O-N 3.22Å; T586-L589 PolarHBondContact O-N 3.33Å; T586-S590 PolarHBondContact O-N 3.35Å; T586-L612 HydrophobicContact CG2-CD2 3.89Å; T586-Y618 VanDerWaalsContact OG1-CB 3.26Å; T586-Y618 WeakPolarHBondContact OG1-CB 3.32Å; T586-C619 HydrophobicContact CG2-CB 3.91Å; T586-W626 HydrophobicContact CG2-CH2 3.9Å; T586-W626 HydrophobicContact CG2-CZ2 4.13Å
587	R	97.4	Very high	97.2	Very high	102 Å²	102	20 Å²	20	39%	0.385	9%	0.088	S	C	.	.	H	α-helix	trans	-64.3	-40.8	170.5	-68.2	169.7	70.4	-165.1	-0.1	111.9	L531 W583 A584 Y585 S590 R591	L531-R587 HydrophobicContact CD1-CB 3.9Å; L531-R587 HydrophobicContact CD2-CB 3.82Å; W583-R587 WeakPolarHBondContact O-CG 3.35Å; W583-R587 PolarHBondContact O-N 3.47Å; A584-R587 WeakPolarHBondContact O-CB 3.47Å; A584-R587 PolarHBondContact O-N 2.96Å; Y585-R587 VanDerWaalsContact C-N 3.26Å; Y585-R587 PolarHBondContact O-N 3.03Å; R587-S590 PolarHBondContact O-N 3.45Å; R587-R591 WeakPolarHBondContact O-CG 3.42Å; R587-R591 PolarHBondContact O-N 3.04Å
588	I	98.2	Very high	97.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-47.3	175.5	-62.8	172.3	0	0	0	111.1	A530 L531 V534 Y550 A553 A584 Y585 S590 R591 G592	A530-I588 HydrophobicContact CB-CD1 3.88Å; L531-I588 HydrophobicContact CB-CD1 4.05Å; L531-I588 HydrophobicContact CB-CG1 3.69Å; L531-I588 HydrophobicContact CD1-CG1 3.73Å; L531-I588 HydrophobicContact CG-CG1 4.27Å; V534-I588 HydrophobicContact CG2-CG2 4.27Å; Y550-I588 HydrophobicContact CD2-CG2 4.37Å; A553-I588 HydrophobicContact CB-CD1 4.06Å; A553-I588 HydrophobicContact CB-CG2 3.82Å; A584-I588 WeakPolarHBondContact O-CG1 3.34Å; A584-I588 PolarHBondContact O-N 3.23Å; A584-I588 VanDerWaalsContact O-N 3.09Å; Y585-I588 HydrophobicContact CD1-CD1 3.89Å; Y585-I588 HydrophobicContact CE1-CD1 4.21Å; Y585-I588 CarbonylContact O-C 3.54Å; Y585-I588 WeakPolarHBondContact O-CA 3.13Å; Y585-I588 WeakPolarHBondContact O-CB 3.31Å; Y585-I588 PolarHBondContact O-N 3.24Å; I588-S590 VanDerWaalsContact C-N 3.31Å; I588-S590 PolarHBondContact O-N 3.1Å; I588-R591 CarbonylContact O-C 3.56Å; I588-R591 WeakPolarHBondContact O-CA 3.36Å; I588-R591 WeakPolarHBondContact O-CB 3.5Å; I588-R591 PolarHBondContact O-N 3.04Å; I588-G592 PolarHBondContact O-N 2.77Å
589	L	98.6	Very high	97.5	Very high	15 Å²	15	27 Å²	27	8%	0.079	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-42.4	177.2	-64	-173.7	0	0	0	111.3	Y550 K554 Y585 T586 R591 G592 V593 E608 L612	Y550-L589 HydrophobicContact CD2-CD2 4.49Å; Y550-L589 HydrophobicContact CE2-CD2 3.89Å; K554-L589 HydrophobicContact CB-CD2 3.71Å; K554-L589 HydrophobicContact CD-CD2 4.08Å; K554-L589 HydrophobicContact CG-CD2 3.75Å; Y585-L589 WeakPolarHBondContact O-CG 3.27Å; Y585-L589 PolarHBondContact O-N 3.18Å; T586-L589 PolarHBondContact O-N 3.33Å; L589-R591 PolarHBondContact O-N 2.74Å; L589-G592 WeakPolarHBondContact O-CA 3.27Å; L589-G592 PolarHBondContact O-N 3.48Å; L589-V593 PolarHBondContact O-N 2.95Å; L589-V593 VanDerWaalsContact O-N 3.15Å; L589-E608 WeakPolarHBondContact CB-OE1 3.33Å; L589-E608 WeakPolarHBondContact CD2-OE1 3.34Å; L589-L612 HydrophobicContact CB-CD2 3.88Å; L589-L612 HydrophobicContact CB-CG 4.43Å; L589-L612 HydrophobicContact CD1-CD2 4.47Å
590	S	98.3	Very high	97.7	Very high	11 Å²	11	35 Å²	35	8%	0.077	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-20.9	173.5	-172.8	0	0	0	0	114	T586 R587 I588 W626	T586-S590 PolarHBondContact O-N 3.35Å; R587-S590 PolarHBondContact O-N 3.45Å; I588-S590 VanDerWaalsContact C-N 3.31Å; I588-S590 PolarHBondContact O-N 3.1Å; S590-W626 PolarHBondContact OG-NE1 3Å
591	R	98.3	Very high	97.8	Very high	84 Å²	84	40.2 Å²	40.2	32%	0.317	16%	0.162	S	C	.	.	H	α-helix	trans	-79.2	-35.6	166.5	-67.3	-48.6	-167.1	-168.9	1.8	112	L531 V534 M538 R587 I588 L589 V593 E594 I595	L531-R591 HydrophobicContact CD1-CG 4.35Å; V534-R591 HydrophobicContact CG1-CB 4Å; M538-R591 HydrophobicContact SD-CB 3.79Å; M538-R591 HydrophobicContact SD-CG 4.1Å; R587-R591 WeakPolarHBondContact O-CG 3.42Å; R587-R591 PolarHBondContact O-N 3.04Å; I588-R591 CarbonylContact O-C 3.56Å; I588-R591 WeakPolarHBondContact O-CA 3.36Å; I588-R591 WeakPolarHBondContact O-CB 3.5Å; I588-R591 PolarHBondContact O-N 3.04Å; L589-R591 PolarHBondContact O-N 2.74Å; R591-V593 VanDerWaalsContact C-N 3.29Å; R591-V593 PolarHBondContact O-N 3.5Å; R591-E594 VanDerWaalsContact CD-OE1 3.29Å; R591-E594 WeakPolarHBondContact CD-OE1 3.19Å; R591-E594 IonicContact CZ-OE1 3.7Å; R591-E594 IonicContact NE-OE1 2.94Å; R591-E594 IonicContact NH1-OE1 3.72Å; R591-E594 PolarHBondContact NH1-OE1 3.19Å; R591-E594 IonicContact NH1-OE2 3.98Å; R591-E594 WeakPolarHBondContact O-CA 3.18Å; R591-E594 WeakPolarHBondContact O-CB 3.49Å; R591-E594 PolarHBondContact O-N 3.13Å; R591-I595 WeakPolarHBondContact O-CG1 3.34Å; R591-I595 PolarHBondContact O-N 3.06Å
592	G	98.4	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-50.3	-46.5	171.6	0	0	0	0	0	112.8	Y550 I588 L589 E594 I595 L596	Y550-G592 VanDerWaalsContact CD2-CA 3.42Å; I588-G592 PolarHBondContact O-N 2.77Å; L589-G592 WeakPolarHBondContact O-CA 3.27Å; L589-G592 PolarHBondContact O-N 3.48Å; G592-E594 VanDerWaalsContact C-N 3.29Å; G592-E594 PolarHBondContact O-N 2.85Å; G592-I595 PolarHBondContact O-N 3.17Å; G592-L596 WeakPolarHBondContact O-CB 3.5Å; G592-L596 VanDerWaalsContact O-CG 3.26Å; G592-L596 WeakPolarHBondContact O-CG 3.47Å; G592-L596 PolarHBondContact O-N 3.24Å
593	V	98.7	Very high	98	Very high	4 Å²	4	47 Å²	47	2%	0.024	19%	0.192	C	C	.	.	H	α-helix	trans	-53.7	-44.2	173	177.8	0	0	0	0	112.2	L589 R591 Q597 E608 L609 L612	L589-V593 PolarHBondContact O-N 2.95Å; L589-V593 VanDerWaalsContact O-N 3.15Å; R591-V593 VanDerWaalsContact C-N 3.29Å; R591-V593 PolarHBondContact O-N 3.5Å; V593-Q597 HydrophobicContact CG1-CG 4.47Å; V593-Q597 WeakPolarHBondContact O-CB 3.45Å; V593-Q597 VanDerWaalsContact O-CG 3.22Å; V593-Q597 WeakPolarHBondContact O-CG 3.33Å; V593-Q597 PolarHBondContact O-N 3.39Å; V593-E608 HydrophobicContact CG2-CB 3.96Å; V593-E608 HydrophobicContact CG2-CG 3.73Å; V593-L609 HydrophobicContact CB-CG 4.49Å; V593-L609 HydrophobicContact CG1-CD1 3.84Å; V593-L609 HydrophobicContact CG1-CD2 3.9Å; V593-L609 HydrophobicContact CG1-CG 3.7Å; V593-L609 HydrophobicContact CG2-CD2 4Å; V593-L609 HydrophobicContact CG2-CG 3.89Å; V593-L612 HydrophobicContact CG2-CD1 3.8Å
594	E	98.3	Very high	98.1	Very high	43 Å²	43	48 Å²	48	20%	0.201	20%	0.199	C	C	.	.	H	α-helix	trans	-68.3	-39.7	-179.1	-55.8	-173.7	-118	0	0	111.5	M538 R591 G592 R598 R625	M538-E594 HydrophobicContact CE-CB 3.73Å; R591-E594 VanDerWaalsContact CD-OE1 3.29Å; R591-E594 WeakPolarHBondContact CD-OE1 3.19Å; R591-E594 IonicContact CZ-OE1 3.7Å; R591-E594 IonicContact NE-OE1 2.94Å; R591-E594 IonicContact NH1-OE1 3.72Å; R591-E594 PolarHBondContact NH1-OE1 3.19Å; R591-E594 IonicContact NH1-OE2 3.98Å; R591-E594 WeakPolarHBondContact O-CA 3.18Å; R591-E594 WeakPolarHBondContact O-CB 3.49Å; R591-E594 PolarHBondContact O-N 3.13Å; G592-E594 VanDerWaalsContact C-N 3.29Å; G592-E594 PolarHBondContact O-N 2.85Å; E594-R598 VanDerWaalsContact O-CB 3.23Å; E594-R598 WeakPolarHBondContact O-CB 3.42Å; E594-R598 PolarHBondContact O-N 2.87Å; E594-R625 VanDerWaalsContact CD-NH1 3.3Å; E594-R625 IonicContact OE1-CZ 2.78Å; E594-R625 IonicContact OE1-NH1 2.78Å; E594-R625 PolarHBondContact OE1-NH1 2.94Å; E594-R625 IonicContact OE1-NH2 2.64Å; E594-R625 PolarHBondContact OE1-NH2 2.63Å; E594-R625 IonicContact OE2-CZ 3.4Å; E594-R625 IonicContact OE2-NH1 3.09Å; E594-R625 IonicContact OE2-NH2 2.71Å; E594-R625 PolarHBondContact OE2-NH2 3.13Å
595	I	98.6	Very high	98.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-48.6	176.3	-64.3	157.8	0	0	0	110.7	V534 M538 W543 A546 L547 R591 G592 R598 L599	V534-I595 HydrophobicContact CG1-CD1 3.83Å; M538-I595 HydrophobicContact CE-CG1 4.24Å; M538-I595 HydrophobicContact CG-CD1 3.96Å; M538-I595 HydrophobicContact CG-CG1 3.74Å; M538-I595 HydrophobicContact SD-CD1 3.89Å; M538-I595 HydrophobicContact SD-CG1 3.85Å; W543-I595 HydrophobicContact CE3-CG1 4.4Å; A546-I595 HydrophobicContact CB-CD1 3.74Å; A546-I595 HydrophobicContact CB-CG1 4.01Å; A546-I595 HydrophobicContact CB-CG2 4.4Å; L547-I595 HydrophobicContact CB-CG2 3.88Å; L547-I595 HydrophobicContact CD1-CG2 4.4Å; R591-I595 WeakPolarHBondContact O-CG1 3.34Å; R591-I595 PolarHBondContact O-N 3.06Å; G592-I595 PolarHBondContact O-N 3.17Å; I595-R598 WeakPolarHBondContact O-CB 3.39Å; I595-R598 PolarHBondContact O-N 3.23Å; I595-R598 VanDerWaalsContact O-N 3.14Å; I595-L599 HydrophobicContact CG2-CD1 4.02Å; I595-L599 WeakPolarHBondContact O-CB 3.29Å; I595-L599 WeakPolarHBondContact O-CG 3.4Å; I595-L599 PolarHBondContact O-N 3.02Å
596	L	98.7	Very high	98.3	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-46.1	178.4	-69.6	168.4	0	0	0	111.3	L547 Y550 G592 R598 L599 R600 R601 D604 A605	L547-L596 HydrophobicContact CD1-CD2 3.81Å; Y550-L596 HydrophobicContact CE1-CD1 4.04Å; Y550-L596 HydrophobicContact CE1-CG 4.28Å; G592-L596 WeakPolarHBondContact O-CB 3.5Å; G592-L596 VanDerWaalsContact O-CG 3.26Å; G592-L596 WeakPolarHBondContact O-CG 3.47Å; G592-L596 PolarHBondContact O-N 3.24Å; L596-R598 VanDerWaalsContact C-N 3.31Å; L596-R598 PolarHBondContact O-N 3.17Å; L596-L599 CarbonylContact O-C 3.45Å; L596-L599 PolarHBondContact O-N 2.91Å; L596-R600 PolarHBondContact O-N 3.07Å; L596-R601 HydrophobicContact CB-CB 4.28Å; L596-R601 HydrophobicContact CD2-CB 3.94Å; L596-R601 PolarHBondContact O-N 2.73Å; L596-D604 HydrophobicContact CD1-CB 3.97Å; L596-D604 HydrophobicContact CD2-CB 4.04Å; L596-A605 HydrophobicContact CB-CB 3.86Å
597	Q	98.3	Very high	98.3	Very high	14 Å²	14	53.3 Å²	53.3	7%	0.065	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-38.9	173.1	-74.6	174.1	-23.8	0	0	112.3	V593 R600 Y602 A605 R629 N633	V593-Q597 HydrophobicContact CG1-CG 4.47Å; V593-Q597 WeakPolarHBondContact O-CB 3.45Å; V593-Q597 VanDerWaalsContact O-CG 3.22Å; V593-Q597 WeakPolarHBondContact O-CG 3.33Å; V593-Q597 PolarHBondContact O-N 3.39Å; Q597-R600 PolarHBondContact O-N 2.79Å; Q597-R600 VanDerWaalsContact O-N 3.16Å; Q597-Y602 HydrophobicContact CB-CE1 4.39Å; Q597-Y602 HydrophobicContact CG-CD1 4.32Å; Q597-Y602 HydrophobicContact CG-CE1 4.5Å; Q597-A605 HydrophobicContact CG-CB 3.79Å; Q597-R629 VanDerWaalsContact OE1-CZ 3.29Å; Q597-N633 PolarHBondContact NE2-ND2 3.45Å; Q597-N633 PolarHBondContact NE2-OD1 2.85Å
598	R	97.8	Very high	98.4	Very high	162 Å²	162	48.6 Å²	48.6	61%	0.611	21%	0.207	S	C	*	.	H	α-helix	trans	-69.3	-35.1	178.7	-175.2	52.8	171.7	165.1	-0.3	112.6	W543 E594 I595 L596 R600	W543-R598 HydrophobicContact CD2-CB 4.23Å; W543-R598 HydrophobicContact CD2-CG 3.41Å; W543-R598 VanDerWaalsContact CD2-CG 3.41Å; W543-R598 HydrophobicContact CE3-CB 3.95Å; W543-R598 HydrophobicContact CE3-CG 3.61Å; W543-R598 HydrophobicContact CG-CG 3.95Å; W543-R598 HydrophobicContact CH2-CG 4.1Å; W543-R598 HydrophobicContact CZ2-CG 3.93Å; W543-R598 HydrophobicContact CZ3-CB 4.2Å; W543-R598 HydrophobicContact CZ3-CG 3.94Å; E594-R598 VanDerWaalsContact O-CB 3.23Å; E594-R598 WeakPolarHBondContact O-CB 3.42Å; E594-R598 PolarHBondContact O-N 2.87Å; I595-R598 WeakPolarHBondContact O-CB 3.39Å; I595-R598 PolarHBondContact O-N 3.23Å; I595-R598 VanDerWaalsContact O-N 3.14Å; L596-R598 VanDerWaalsContact C-N 3.31Å; L596-R598 PolarHBondContact O-N 3.17Å; R598-R600 VanDerWaalsContact C-N 3.25Å; R598-R600 PolarHBondContact O-N 2.94Å
599	L	97.8	Very high	98.4	Very high	49 Å²	49	48.6 Å²	48.6	26%	0.257	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	5.5	171.6	-66.2	175.9	0	0	0	113.6	W543 L547 I595 L596 R601	W543-L599 HydrophobicContact CB-CD2 3.72Å; W543-L599 HydrophobicContact CB-CG 4.11Å; L547-L599 HydrophobicContact CB-CD1 3.88Å; L547-L599 HydrophobicContact CD1-CD1 4.35Å; L547-L599 HydrophobicContact CD2-CD1 3.75Å; L547-L599 HydrophobicContact CG-CD1 4.2Å; I595-L599 HydrophobicContact CG2-CD1 4.02Å; I595-L599 WeakPolarHBondContact O-CB 3.29Å; I595-L599 WeakPolarHBondContact O-CG 3.4Å; I595-L599 PolarHBondContact O-N 3.02Å; L596-L599 CarbonylContact O-C 3.45Å; L596-L599 PolarHBondContact O-N 2.91Å; L599-R601 PolarHBondContact O-N 3.26Å
600	R	98.1	Very high	98.4	Very high	193 Å²	193	52.4 Å²	52.4	73%	0.728	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.7	18.2	179.6	-50.8	-179.2	178.3	-136.3	1.8	115.6	L596 Q597 R598 Y602	L596-R600 PolarHBondContact O-N 3.07Å; Q597-R600 PolarHBondContact O-N 2.79Å; Q597-R600 VanDerWaalsContact O-N 3.16Å; R598-R600 VanDerWaalsContact C-N 3.25Å; R598-R600 PolarHBondContact O-N 2.94Å; R600-Y602 VanDerWaalsContact C-N 3.29Å; R600-Y602 HydrophobicContact CB-CD2 4.29Å; R600-Y602 HydrophobicContact CB-CE2 3.66Å; R600-Y602 HydrophobicContact CG-CE2 4.19Å; R600-Y602 WeakPolarHBondContact O-CD2 3.45Å; R600-Y602 PolarHBondContact O-N 3.16Å; R600-Y602 VanDerWaalsContact O-N 3.11Å
601	R	98.3	Very high	98.4	Very high	112 Å²	112	54.4 Å²	54.4	42%	0.423	24%	0.242	S	C	.	.			trans	-83.2	72.5	172.7	-64.8	173.7	63.7	159.5	0.9	108.9	L596 L599 D604 A605	L596-R601 HydrophobicContact CB-CB 4.28Å; L596-R601 HydrophobicContact CD2-CB 3.94Å; L596-R601 PolarHBondContact O-N 2.73Å; L599-R601 PolarHBondContact O-N 3.26Å; R601-D604 HydrophobicContact CB-CB 4.34Å; R601-D604 IonicContact CZ-OD2 3.5Å; R601-D604 IonicContact NE-OD2 2.73Å; R601-D604 PolarHBondContact NE-OD2 3.34Å; R601-D604 IonicContact NH2-OD2 3.49Å; R601-D604 PolarHBondContact NH2-OD2 2.95Å; R601-A605 VanDerWaalsContact O-CB 3.31Å; R601-A605 WeakPolarHBondContact O-CB 3.29Å; R601-A605 PolarHBondContact O-N 3.5Å; R601-A605 VanDerWaalsContact O-N 3.15Å
602	Y	98.5	Very high	98.4	Very high	45 Å²	45	50.6 Å²	50.6	18%	0.176	23%	0.228	C	C	.	.	H	α-helix	trans	-78.9	-27.6	-168.4	-64.6	-70.6	0	0	0	113.3	Q597 R600 V606 H637	Q597-Y602 HydrophobicContact CB-CE1 4.39Å; Q597-Y602 HydrophobicContact CG-CD1 4.32Å; Q597-Y602 HydrophobicContact CG-CE1 4.5Å; R600-Y602 VanDerWaalsContact C-N 3.29Å; R600-Y602 HydrophobicContact CB-CD2 4.29Å; R600-Y602 HydrophobicContact CB-CE2 3.66Å; R600-Y602 HydrophobicContact CG-CE2 4.19Å; R600-Y602 WeakPolarHBondContact O-CD2 3.45Å; R600-Y602 PolarHBondContact O-N 3.16Å; R600-Y602 VanDerWaalsContact O-N 3.11Å; Y602-V606 WeakPolarHBondContact O-CG2 3.39Å; Y602-V606 PolarHBondContact O-N 3.27Å; Y602-H637 HydrophobicContact CD1-CB 3.71Å; Y602-H637 AromaticContact CD1-CD2 3.48Å; Y602-H637 VanDerWaalsContact CD1-CD2 3.48Å; Y602-H637 WeakPolarHBondContact CD1-CD2 3.16Å; Y602-H637 AromaticContact CD1-CG 3.53Å; Y602-H637 HydrophobicContact CD2-CB 3.78Å; Y602-H637 HydrophobicContact CE1-CB 4.04Å; Y602-H637 AromaticContact CE1-CD2 3.27Å; Y602-H637 WeakPolarHBondContact CE1-CD2 3.23Å; Y602-H637 AromaticContact CE1-CE1 3.66Å; Y602-H637 AromaticContact CE1-CG 3.37Å; Y602-H637 AromaticContact CE1-ND1 3.61Å; Y602-H637 AromaticContact CE1-NE2 3.49Å; Y602-H637 WeakPolarHBondContact CE1-NE2 3.27Å; Y602-H637 HydrophobicContact CE2-CB 4.09Å; Y602-H637 AromaticContact CE2-CG 3.96Å; Y602-H637 AromaticContact CE2-ND1 3.86Å; Y602-H637 HydrophobicContact CG-CB 3.57Å; Y602-H637 AromaticContact CG-CG 3.9Å; Y602-H637 AromaticContact CZ-CD2 3.92Å; Y602-H637 AromaticContact CZ-CE1 3.62Å; Y602-H637 AromaticContact CZ-CG 3.6Å; Y602-H637 AromaticContact CZ-ND1 3.4Å; Y602-H637 AromaticContact CZ-NE2 3.96Å; Y602-H637 PolarHBondContact OH-CE1 2.86Å
603	E	98.5	Very high	98.4	Very high	99 Å²	99	51.3 Å²	51.3	46%	0.463	23%	0.231	S	C	.	.	H	α-helix	trans	-62.3	-60.2	172.8	-69.5	73.5	-171.2	0	0	109.8	A605 V606 E607 L638	E603-A605 PolarHBondContact O-N 2.83Å; E603-V606 WeakPolarHBondContact O-CA 3.44Å; E603-V606 VanDerWaalsContact O-CB 3.31Å; E603-V606 WeakPolarHBondContact O-CB 3.43Å; E603-V606 PolarHBondContact O-N 2.92Å; E603-E607 PolarHBondContact O-N 3.17Å; E603-L638 HydrophobicContact CG-CD2 3.97Å; E603-L638 WeakPolarHBondContact OE1-CD2 3.38Å
604	D	98.5	Very high	98.3	Very high	47 Å²	47	60.3 Å²	60.3	25%	0.251	27%	0.27	S	S	.	.	H	α-helix	trans	-54.9	-38.9	175	-45.7	13.9	0	0	0	112	L596 R601 V606 E607 E608	L596-D604 HydrophobicContact CD1-CB 3.97Å; L596-D604 HydrophobicContact CD2-CB 4.04Å; R601-D604 HydrophobicContact CB-CB 4.34Å; R601-D604 IonicContact CZ-OD2 3.5Å; R601-D604 IonicContact NE-OD2 2.73Å; R601-D604 PolarHBondContact NE-OD2 3.34Å; R601-D604 IonicContact NH2-OD2 3.49Å; R601-D604 PolarHBondContact NH2-OD2 2.95Å; D604-V606 VanDerWaalsContact C-N 3.28Å; D604-V606 PolarHBondContact O-N 3.04Å; D604-E607 PolarHBondContact O-N 3.42Å; D604-E608 WeakPolarHBondContact O-CB 3.31Å; D604-E608 PolarHBondContact O-N 3.28Å
605	A	98.7	Very high	98.1	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-69.7	-23.3	176.7	0	0	0	0	0	113.2	L596 Q597 R601 E603 L609	L596-A605 HydrophobicContact CB-CB 3.86Å; Q597-A605 HydrophobicContact CG-CB 3.79Å; R601-A605 VanDerWaalsContact O-CB 3.31Å; R601-A605 WeakPolarHBondContact O-CB 3.29Å; R601-A605 PolarHBondContact O-N 3.5Å; R601-A605 VanDerWaalsContact O-N 3.15Å; E603-A605 PolarHBondContact O-N 2.83Å; A605-L609 WeakPolarHBondContact O-CB 3.28Å; A605-L609 VanDerWaalsContact O-CD1 3.24Å; A605-L609 WeakPolarHBondContact O-CD1 3.03Å; A605-L609 WeakPolarHBondContact O-CG 3.22Å; A605-L609 PolarHBondContact O-N 3.07Å
606	V	98.8	Very high	97.9	Very high	8 Å²	8	64.6 Å²	64.6	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-77	-44.7	170.3	158.6	0	0	0	0	110.5	Y602 E603 D604 E608 L609 Q610 L630 N633 F634 L638	Y602-V606 WeakPolarHBondContact O-CG2 3.39Å; Y602-V606 PolarHBondContact O-N 3.27Å; E603-V606 WeakPolarHBondContact O-CA 3.44Å; E603-V606 VanDerWaalsContact O-CB 3.31Å; E603-V606 WeakPolarHBondContact O-CB 3.43Å; E603-V606 PolarHBondContact O-N 2.92Å; D604-V606 VanDerWaalsContact C-N 3.28Å; D604-V606 PolarHBondContact O-N 3.04Å; V606-E608 VanDerWaalsContact C-N 3.33Å; V606-E608 PolarHBondContact O-N 3.27Å; V606-L609 PolarHBondContact O-N 3.46Å; V606-Q610 HydrophobicContact CG1-CG 4.42Å; V606-Q610 WeakPolarHBondContact O-CG 3.46Å; V606-Q610 PolarHBondContact O-N 2.57Å; V606-L630 HydrophobicContact CB-CD1 4.24Å; V606-L630 HydrophobicContact CG1-CD1 3.85Å; V606-L630 HydrophobicContact CG2-CD1 3.97Å; V606-N633 HydrophobicContact CG2-CB 3.46Å; V606-N633 VanDerWaalsContact CG2-CB 3.46Å; V606-F634 HydrophobicContact CG1-CE1 3.6Å; V606-F634 HydrophobicContact CG1-CE2 4.31Å; V606-F634 HydrophobicContact CG1-CZ 3.46Å; V606-F634 VanDerWaalsContact CG1-CZ 3.46Å; V606-F634 HydrophobicContact CG2-CD1 4.41Å; V606-F634 HydrophobicContact CG2-CE1 4.22Å; V606-F634 HydrophobicContact CG2-CZ 4.45Å; V606-L638 HydrophobicContact CB-CD1 4.36Å; V606-L638 HydrophobicContact CG2-CD1 3.7Å
607	E	98.6	Very high	97.7	Very high	128 Å²	128	65.5 Å²	65.5	60%	0.598	31%	0.305	S	S	*	.	H	α-helix	trans	-58.7	-45.1	176.8	-66.6	176.8	-175.6	0	0	111.3	E603 D604 L609 Q610 A611	E603-E607 PolarHBondContact O-N 3.17Å; D604-E607 PolarHBondContact O-N 3.42Å; E607-L609 PolarHBondContact O-N 3.38Å; E607-Q610 PolarHBondContact O-N 3.07Å; E607-A611 PolarHBondContact O-N 3.29Å
608	E	98.6	Very high	97.6	Very high	3 Å²	3	65.3 Å²	65.3	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-40.6	176.9	-164.7	61.3	-147.1	0	0	112.3	Y550 K554 L589 V593 D604 V606 Q610 A611 L612	Y550-E608 PolarHBondContact OH-OE2 3.46Å; Y550-E608 VanDerWaalsContact OH-OE2 3.08Å; K554-E608 WeakPolarHBondContact CE-OE2 3.43Å; K554-E608 IonicContact NZ-OE2 2.68Å; K554-E608 PolarHBondContact NZ-OE2 3.08Å; L589-E608 WeakPolarHBondContact CB-OE1 3.33Å; L589-E608 WeakPolarHBondContact CD2-OE1 3.34Å; V593-E608 HydrophobicContact CG2-CB 3.96Å; V593-E608 HydrophobicContact CG2-CG 3.73Å; D604-E608 WeakPolarHBondContact O-CB 3.31Å; D604-E608 PolarHBondContact O-N 3.28Å; V606-E608 VanDerWaalsContact C-N 3.33Å; V606-E608 PolarHBondContact O-N 3.27Å; E608-Q610 VanDerWaalsContact C-N 3.35Å; E608-A611 PolarHBondContact O-N 3.2Å; E608-L612 HydrophobicContact CG-CD1 4.38Å; E608-L612 WeakPolarHBondContact O-CB 3.33Å; E608-L612 VanDerWaalsContact O-CG 3.32Å; E608-L612 WeakPolarHBondContact O-CG 3.25Å; E608-L612 PolarHBondContact O-N 3.06Å
609	L	98.8	Very high	97.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.3	-37.2	174.7	-79.8	170.4	0	0	0	112.4	V593 A605 V606 E607 L613 W626 R629 L630	V593-L609 HydrophobicContact CB-CG 4.49Å; V593-L609 HydrophobicContact CG1-CD1 3.84Å; V593-L609 HydrophobicContact CG1-CD2 3.9Å; V593-L609 HydrophobicContact CG1-CG 3.7Å; V593-L609 HydrophobicContact CG2-CD2 4Å; V593-L609 HydrophobicContact CG2-CG 3.89Å; A605-L609 WeakPolarHBondContact O-CB 3.28Å; A605-L609 VanDerWaalsContact O-CD1 3.24Å; A605-L609 WeakPolarHBondContact O-CD1 3.03Å; A605-L609 WeakPolarHBondContact O-CG 3.22Å; A605-L609 PolarHBondContact O-N 3.07Å; V606-L609 PolarHBondContact O-N 3.46Å; E607-L609 PolarHBondContact O-N 3.38Å; L609-L613 VanDerWaalsContact O-CB 3.3Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 WeakPolarHBondContact O-CD1 3.04Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.47Å; L609-L613 PolarHBondContact O-N 2.79Å; L609-W626 HydrophobicContact CD2-CB 3.65Å; L609-W626 HydrophobicContact CD2-CG 3.98Å; L609-R629 HydrophobicContact CD1-CB 3.8Å; L609-R629 HydrophobicContact CD2-CB 4.38Å; L609-L630 HydrophobicContact CB-CB 4.39Å; L609-L630 HydrophobicContact CB-CD1 4.18Å; L609-L630 HydrophobicContact CD1-CB 4.14Å
610	Q	98.6	Very high	97.3	Very high	95 Å²	95	56.4 Å²	56.4	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-68.7	-38.9	175.5	-72.8	176.5	-48.1	0	0	111.6	V606 E607 E608 L613 K614 L630	V606-Q610 HydrophobicContact CG1-CG 4.42Å; V606-Q610 WeakPolarHBondContact O-CG 3.46Å; V606-Q610 PolarHBondContact O-N 2.57Å; E607-Q610 PolarHBondContact O-N 3.07Å; E608-Q610 VanDerWaalsContact C-N 3.35Å; Q610-L613 PolarHBondContact O-N 3.02Å; Q610-K614 WeakPolarHBondContact O-CB 3.44Å; Q610-K614 PolarHBondContact O-N 2.91Å; Q610-L630 HydrophobicContact CG-CD1 4.19Å; Q610-L630 HydrophobicContact CG-CD2 4.27Å
611	A	98	Very high	97	Very high	53 Å²	53	48.7 Å²	48.7	44%	0.438	24%	0.243	S	C	.	.	H	α-helix	trans	-62.8	-48.4	172.9	0	0	0	0	0	111.9	E607 E608 L613 K614	E607-A611 PolarHBondContact O-N 3.29Å; E608-A611 PolarHBondContact O-N 3.2Å; A611-L613 VanDerWaalsContact C-N 3.3Å; A611-L613 PolarHBondContact O-N 3.21Å; A611-K614 PolarHBondContact O-N 3.33Å
612	L	98.4	Very high	96.8	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-59.3	-37.4	176.4	-76.7	168.1	0	0	0	113.1	T586 L589 V593 E608 Q615 W626	T586-L612 HydrophobicContact CG2-CD2 3.89Å; L589-L612 HydrophobicContact CB-CD2 3.88Å; L589-L612 HydrophobicContact CB-CG 4.43Å; L589-L612 HydrophobicContact CD1-CD2 4.47Å; V593-L612 HydrophobicContact CG2-CD1 3.8Å; E608-L612 HydrophobicContact CG-CD1 4.38Å; E608-L612 WeakPolarHBondContact O-CB 3.33Å; E608-L612 VanDerWaalsContact O-CG 3.32Å; E608-L612 WeakPolarHBondContact O-CG 3.25Å; E608-L612 PolarHBondContact O-N 3.06Å; L612-Q615 PolarHBondContact O-NE2 2.67Å; L612-W626 HydrophobicContact CB-CD2 3.96Å; L612-W626 HydrophobicContact CB-CE3 3.9Å; L612-W626 HydrophobicContact CB-CH2 4.31Å; L612-W626 HydrophobicContact CB-CZ2 4.35Å; L612-W626 HydrophobicContact CB-CZ3 4.09Å; L612-W626 HydrophobicContact CD1-CD2 4.49Å; L612-W626 HydrophobicContact CD1-CZ2 4.46Å; L612-W626 HydrophobicContact CD2-CH2 4.08Å; L612-W626 HydrophobicContact CD2-CZ2 3.9Å; L612-W626 HydrophobicContact CG-CZ2 4.48Å; L612-W626 VanDerWaalsContact O-CZ3 3.23Å; L612-W626 WeakPolarHBondContact O-CZ3 3.45Å
613	L	98.3	Very high	96.7	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-80	-20.8	179.3	-77	167.8	0	0	0	114.2	L609 Q610 A611 R623 W626 W627 L630	L609-L613 VanDerWaalsContact O-CB 3.3Å; L609-L613 WeakPolarHBondContact O-CB 3.4Å; L609-L613 WeakPolarHBondContact O-CD1 3.04Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.47Å; L609-L613 PolarHBondContact O-N 2.79Å; Q610-L613 PolarHBondContact O-N 3.02Å; A611-L613 VanDerWaalsContact C-N 3.3Å; A611-L613 PolarHBondContact O-N 3.21Å; L613-R623 HydrophobicContact CD2-CB 4.22Å; L613-R623 HydrophobicContact CD2-CG 4.39Å; L613-R623 PolarHBondContact O-NH1 3.19Å; L613-R623 PolarHBondContact O-NH2 2.81Å; L613-W626 HydrophobicContact CD1-CB 4.12Å; L613-W626 HydrophobicContact CD2-CB 3.9Å; L613-W626 HydrophobicContact CD2-CE3 4.03Å; L613-W626 HydrophobicContact CG-CB 3.86Å; L613-W626 HydrophobicContact CG-CE3 4.29Å; L613-W627 HydrophobicContact CD1-CD2 3.68Å; L613-W627 HydrophobicContact CD1-CE3 3.77Å; L613-W627 HydrophobicContact CD1-CG 4.14Å; L613-W627 HydrophobicContact CD1-CH2 4.31Å; L613-W627 HydrophobicContact CD1-CZ2 4.26Å; L613-W627 HydrophobicContact CD1-CZ3 4.07Å; L613-W627 HydrophobicContact CD2-CD2 3.99Å; L613-W627 HydrophobicContact CD2-CG 3.99Å; L613-W627 HydrophobicContact CD2-CZ2 4.22Å; L613-W627 HydrophobicContact CG-CD2 4.48Å; L613-L630 HydrophobicContact CD1-CD2 3.7Å
614	K	97	Very high	96.6	Very high	194 Å²	194	39.1 Å²	39.1	84%	0.843	21%	0.207	S	C	*	.	H	α-helix	trans	-69.6	-30.5	177.5	-174.4	-179.6	176.6	-173	0	112.7	Q610 A611	Q610-K614 WeakPolarHBondContact O-CB 3.44Å; Q610-K614 PolarHBondContact O-N 2.91Å; A611-K614 PolarHBondContact O-N 3.33Å
615	Q	94.4	Very high	96.5	Very high	48 Å²	48	41.1 Å²	41.1	22%	0.224	21%	0.211	C	C	.	.			trans	-92.5	153.2	176.2	67.9	76.8	40.4	0	0	112.2	L612 Y618 R623	L612-Q615 PolarHBondContact O-NE2 2.67Å; Q615-Y618 PolarHBondContact NE2-O 3.15Å; Q615-R623 PolarHBondContact O-NH1 2.77Å
616	S	92.5	Very high	96.5	Very high	85 Å²	85	41.2 Å²	41.2	59%	0.594	21%	0.212	S	C	*	.			trans	-119.1	-6.5	-178.8	50.9	0	0	0	0	114.2
617	V	94.9	Very high	96.5	Very high	21 Å²	21	42.3 Å²	42.3	13%	0.127	22%	0.215	C	C	.	.	S	Bend	trans	-80.3	-40.3	-166.9	178.1	0	0	0	0	112.3	E570 R577	E570-V617 HydrophobicContact CB-CG1 3.92Å; E570-V617 HydrophobicContact CG-CG1 3.69Å; E570-V617 HydrophobicContact CG-CG2 4.4Å; R577-V617 WeakPolarHBondContact CD-O 3.47Å; R577-V617 PolarHBondContact NH1-O 3.05Å
618	Y	96.6	Very high	96.5	Very high	10 Å²	10	37.1 Å²	37.1	4%	0.039	19%	0.191	C	C	.	.	S	Bend	trans	-118.4	140.5	-169.4	-55.9	-77.4	0	0	0	112.1	Q569 R577 G582 W583 T586 Q615 P620	Q569-Y618 HydrophobicContact CB-CE1 4.49Å; R577-Y618 HydrophobicContact CG-CD1 4.33Å; R577-Y618 HydrophobicContact CG-CE1 4.33Å; G582-Y618 VanDerWaalsContact C-CD1 3.44Å; W583-Y618 HydrophobicContact CB-CD1 4Å; W583-Y618 HydrophobicContact CE3-CD1 4.25Å; W583-Y618 VanDerWaalsContact N-CD1 3.3Å; T586-Y618 VanDerWaalsContact OG1-CB 3.26Å; T586-Y618 WeakPolarHBondContact OG1-CB 3.32Å; Q615-Y618 PolarHBondContact NE2-O 3.15Å; Y618-P620 VanDerWaalsContact C-CD 3.49Å
619	C	95	Very high	96.5	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.02	20%	0.204	C	C	.	.			trans	48.4	49	-179.8	-57.1	0	0	0	0	114.8	T586 D621 S622 W626	T586-C619 HydrophobicContact CG2-CB 3.91Å; C619-D621 PolarHBondContact O-N 3.46Å; C619-S622 WeakPolarHBondContact O-CB 3.18Å; C619-S622 PolarHBondContact O-N 2.98Å; C619-W626 HydrophobicContact CB-CH2 3.84Å; C619-W626 HydrophobicContact CB-CZ2 4.01Å
620	P	94.5	Very high	96.5	Very high	21 Å²	21	40.8 Å²	40.8	14%	0.136	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59.8	-28.7	-179.4	25.3	-34.9	0	0	0	113.3	V574 Y618 S622 R623 L656	V574-P620 HydrophobicContact CG1-CG 4.31Å; Y618-P620 VanDerWaalsContact C-CD 3.49Å; P620-S622 PolarHBondContact O-N 3.2Å; P620-R623 WeakPolarHBondContact O-CB 3.3Å; P620-R623 WeakPolarHBondContact O-CG 3.2Å; P620-R623 PolarHBondContact O-N 2.96Å; P620-L656 HydrophobicContact CB-CD1 3.93Å; P620-L656 HydrophobicContact CB-CD2 4.48Å
621	D	91.1	Very high	96.5	Very high	32 Å²	32	36.3 Å²	36.3	17%	0.171	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.8	-30.8	173.3	76.1	-41.4	0	0	0	113.2	C619 R623 R875	C619-D621 PolarHBondContact O-N 3.46Å; D621-R623 VanDerWaalsContact C-N 3.33Å; D621-R875 IonicContact OD2-CZ 2.64Å; D621-R875 IonicContact OD2-NE 2.64Å; D621-R875 PolarHBondContact OD2-NE 3.37Å; D621-R875 IonicContact OD2-NH2 3.65Å; D621-R875 PolarHBondContact OD2-NH2 2.88Å
622	S	95.2	Very high	96.5	Very high	28 Å²	28	34.6 Å²	34.6	20%	0.196	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-82.1	-12.6	-174.5	-61.7	0	0	0	0	112.8	C619 P620 G624 R625 W626	C619-S622 WeakPolarHBondContact O-CB 3.18Å; C619-S622 PolarHBondContact O-N 2.98Å; P620-S622 PolarHBondContact O-N 3.2Å; S622-G624 VanDerWaalsContact C-N 3.27Å; S622-G624 PolarHBondContact O-N 2.97Å; S622-R625 WeakPolarHBondContact O-CA 3.33Å; S622-R625 VanDerWaalsContact O-CB 3.3Å; S622-R625 WeakPolarHBondContact O-CB 3.21Å; S622-R625 PolarHBondContact O-N 3.34Å; S622-W626 PolarHBondContact O-N 3.36Å
623	R	96.8	Very high	96.5	Very high	25 Å²	25	34.3 Å²	34.3	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-56.8	-37.3	-178.7	-66.6	-179.5	66.6	79.4	6.4	113.2	L613 Q615 P620 D621 R625 W626 W627 D654	L613-R623 HydrophobicContact CD2-CB 4.22Å; L613-R623 HydrophobicContact CD2-CG 4.39Å; L613-R623 PolarHBondContact O-NH1 3.19Å; L613-R623 PolarHBondContact O-NH2 2.81Å; Q615-R623 PolarHBondContact O-NH1 2.77Å; P620-R623 WeakPolarHBondContact O-CB 3.3Å; P620-R623 WeakPolarHBondContact O-CG 3.2Å; P620-R623 PolarHBondContact O-N 2.96Å; D621-R623 VanDerWaalsContact C-N 3.33Å; R623-R625 VanDerWaalsContact C-N 3.34Å; R623-R625 PolarHBondContact O-N 3.18Å; R623-W626 HydrophobicContact CB-CE3 4.31Å; R623-W626 HydrophobicContact CG-CE3 3.83Å; R623-W626 HydrophobicContact CG-CZ3 3.8Å; R623-W626 PolarHBondContact O-N 3.23Å; R623-W627 VanDerWaalsContact O-CD1 3.25Å; R623-W627 PolarHBondContact O-N 2.61Å; R623-D654 IonicContact CZ-OD2 2.71Å; R623-D654 VanDerWaalsContact CZ-OD2 3.24Å; R623-D654 IonicContact NE-OD1 2.66Å; R623-D654 IonicContact NE-OD2 2.66Å; R623-D654 PolarHBondContact NE-OD2 3.02Å; R623-D654 IonicContact NH2-OD2 3.09Å; R623-D654 PolarHBondContact NH2-OD2 3.33Å
624	G	96	Very high	96.5	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-36.4	176	0	0	0	0	0	113.5	S622 D628 H661	S622-G624 VanDerWaalsContact C-N 3.27Å; S622-G624 PolarHBondContact O-N 2.97Å; G624-D628 PolarHBondContact O-N 3.41Å; G624-H661 VanDerWaalsContact O-CG 3.31Å; G624-H661 PolarHBondContact O-ND1 2.92Å; G624-H661 VanDerWaalsContact O-ND1 3.15Å
625	R	96.8	Very high	96.5	Very high	89 Å²	89	27 Å²	27	34%	0.336	13%	0.134	S	C	.	.	H	α-helix	trans	-66.2	-44.1	171.7	-168.8	-174.4	-169.2	-140	0.6	110.2	E594 S622 R623 D628 R629	E594-R625 VanDerWaalsContact CD-NH1 3.3Å; E594-R625 IonicContact OE1-CZ 2.78Å; E594-R625 IonicContact OE1-NH1 2.78Å; E594-R625 PolarHBondContact OE1-NH1 2.94Å; E594-R625 IonicContact OE1-NH2 2.64Å; E594-R625 PolarHBondContact OE1-NH2 2.63Å; E594-R625 IonicContact OE2-CZ 3.4Å; E594-R625 IonicContact OE2-NH1 3.09Å; E594-R625 IonicContact OE2-NH2 2.71Å; E594-R625 PolarHBondContact OE2-NH2 3.13Å; S622-R625 WeakPolarHBondContact O-CA 3.33Å; S622-R625 VanDerWaalsContact O-CB 3.3Å; S622-R625 WeakPolarHBondContact O-CB 3.21Å; S622-R625 PolarHBondContact O-N 3.34Å; R623-R625 VanDerWaalsContact C-N 3.34Å; R623-R625 PolarHBondContact O-N 3.18Å; R625-D628 PolarHBondContact O-N 2.84Å; R625-R629 VanDerWaalsContact O-CG 3.29Å; R625-R629 WeakPolarHBondContact O-CG 3.27Å; R625-R629 PolarHBondContact O-N 3.22Å
626	W	98.6	Very high	96.6	Very high	3 Å²	3	29 Å²	29	1%	0.011	14%	0.144	C	C	.	.	H	α-helix	trans	-62.9	-47.9	-179.7	-58.4	-26	0	0	0	112.3	T586 S590 L609 L612 L613 C619 S622 R623 D628 R629 L630	T586-W626 HydrophobicContact CG2-CH2 3.9Å; T586-W626 HydrophobicContact CG2-CZ2 4.13Å; S590-W626 PolarHBondContact OG-NE1 3Å; L609-W626 HydrophobicContact CD2-CB 3.65Å; L609-W626 HydrophobicContact CD2-CG 3.98Å; L612-W626 HydrophobicContact CB-CD2 3.96Å; L612-W626 HydrophobicContact CB-CE3 3.9Å; L612-W626 HydrophobicContact CB-CH2 4.31Å; L612-W626 HydrophobicContact CB-CZ2 4.35Å; L612-W626 HydrophobicContact CB-CZ3 4.09Å; L612-W626 HydrophobicContact CD1-CD2 4.49Å; L612-W626 HydrophobicContact CD1-CZ2 4.46Å; L612-W626 HydrophobicContact CD2-CH2 4.08Å; L612-W626 HydrophobicContact CD2-CZ2 3.9Å; L612-W626 HydrophobicContact CG-CZ2 4.48Å; L612-W626 VanDerWaalsContact O-CZ3 3.23Å; L612-W626 WeakPolarHBondContact O-CZ3 3.45Å; L613-W626 HydrophobicContact CD1-CB 4.12Å; L613-W626 HydrophobicContact CD2-CB 3.9Å; L613-W626 HydrophobicContact CD2-CE3 4.03Å; L613-W626 HydrophobicContact CG-CB 3.86Å; L613-W626 HydrophobicContact CG-CE3 4.29Å; C619-W626 HydrophobicContact CB-CH2 3.84Å; C619-W626 HydrophobicContact CB-CZ2 4.01Å; S622-W626 PolarHBondContact O-N 3.36Å; R623-W626 HydrophobicContact CB-CE3 4.31Å; R623-W626 HydrophobicContact CG-CE3 3.83Å; R623-W626 HydrophobicContact CG-CZ3 3.8Å; R623-W626 PolarHBondContact O-N 3.23Å; W626-D628 PolarHBondContact O-N 3.46Å; W626-R629 PolarHBondContact O-N 2.86Å; W626-L630 VanDerWaalsContact O-CB 3.31Å; W626-L630 WeakPolarHBondContact O-CB 3.41Å; W626-L630 PolarHBondContact O-N 3.38Å
627	W	98.6	Very high	96.8	Very high	30 Å²	30	28 Å²	28	11%	0.114	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-43.9	175.9	-78.3	118.4	0	0	0	113	L613 R623 L630 A631 A647 D650 G651 D654 V657 L665	L613-W627 HydrophobicContact CD1-CD2 3.68Å; L613-W627 HydrophobicContact CD1-CE3 3.77Å; L613-W627 HydrophobicContact CD1-CG 4.14Å; L613-W627 HydrophobicContact CD1-CH2 4.31Å; L613-W627 HydrophobicContact CD1-CZ2 4.26Å; L613-W627 HydrophobicContact CD1-CZ3 4.07Å; L613-W627 HydrophobicContact CD2-CD2 3.99Å; L613-W627 HydrophobicContact CD2-CG 3.99Å; L613-W627 HydrophobicContact CD2-CZ2 4.22Å; L613-W627 HydrophobicContact CG-CD2 4.48Å; R623-W627 VanDerWaalsContact O-CD1 3.25Å; R623-W627 PolarHBondContact O-N 2.61Å; W627-L630 HydrophobicContact CE3-CD2 3.95Å; W627-L630 HydrophobicContact CZ3-CD2 3.85Å; W627-L630 PolarHBondContact O-N 2.97Å; W627-A631 WeakPolarHBondContact O-CB 3.22Å; W627-A631 PolarHBondContact O-N 2.76Å; W627-A647 HydrophobicContact CE3-CB 4.23Å; W627-A647 HydrophobicContact CZ3-CB 4.24Å; W627-D650 HydrophobicContact CE3-CB 4.46Å; W627-D650 HydrophobicContact CH2-CB 3.41Å; W627-D650 VanDerWaalsContact CH2-CB 3.41Å; W627-D650 HydrophobicContact CZ2-CB 3.93Å; W627-D650 HydrophobicContact CZ3-CB 3.71Å; W627-G651 VanDerWaalsContact CG-CA 3.48Å; W627-D654 PolarHBondContact NE1-OD2 3.02Å; W627-V657 VanDerWaalsContact CD1-CG2 3.43Å; W627-V657 HydrophobicContact CG-CG2 4.41Å; W627-L665 HydrophobicContact CB-CD1 4.25Å
628	D	97.9	Very high	96.9	Very high	19 Å²	19	28.2 Å²	28.2	10%	0.102	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-42	177.2	-177.1	78.1	0	0	0	112.3	G624 R625 W626 L630 L632 S664 L665 R668	G624-D628 PolarHBondContact O-N 3.41Å; R625-D628 PolarHBondContact O-N 2.84Å; W626-D628 PolarHBondContact O-N 3.46Å; D628-L630 VanDerWaalsContact C-N 3.33Å; D628-L630 PolarHBondContact O-N 3.27Å; D628-L632 WeakPolarHBondContact O-CB 3.37Å; D628-L632 PolarHBondContact O-N 2.68Å; D628-S664 WeakPolarHBondContact OD1-CB 3.34Å; D628-S664 PolarHBondContact OD1-OG 3.05Å; D628-L665 HydrophobicContact CB-CD2 4.43Å; D628-R668 IonicContact OD1-CZ 2.74Å; D628-R668 IonicContact OD1-NE 3.71Å; D628-R668 IonicContact OD1-NH2 3.15Å; D628-R668 PolarHBondContact OD1-NH2 3Å; D628-R668 IonicContact OD2-NH2 3.54Å; D628-R668 PolarHBondContact OD2-NH2 3.32Å; D628-R668 VanDerWaalsContact OD2-NH2 3.08Å
629	R	98.4	Very high	96.9	Very high	76 Å²	76	35 Å²	35	29%	0.287	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-33.2	175.8	-65.1	-54.9	-71.5	162.9	-1.9	112.2	Q597 L609 R625 W626 L632 N633	Q597-R629 VanDerWaalsContact OE1-CZ 3.29Å; L609-R629 HydrophobicContact CD1-CB 3.8Å; L609-R629 HydrophobicContact CD2-CB 4.38Å; R625-R629 VanDerWaalsContact O-CG 3.29Å; R625-R629 WeakPolarHBondContact O-CG 3.27Å; R625-R629 PolarHBondContact O-N 3.22Å; W626-R629 PolarHBondContact O-N 2.86Å; R629-L632 PolarHBondContact O-N 3.07Å; R629-N633 WeakPolarHBondContact O-CB 3.47Å; R629-N633 PolarHBondContact O-N 3.48Å
630	L	98.7	Very high	97	Very high	5 Å²	5	39.4 Å²	39.4	3%	0.026	18%	0.178	C	C	.	.	H	α-helix	trans	-68.3	-51.2	177.1	-178.4	59.2	0	0	0	110.9	V606 L609 Q610 L613 W626 W627 D628 L632 N633 F634 A647	V606-L630 HydrophobicContact CB-CD1 4.24Å; V606-L630 HydrophobicContact CG1-CD1 3.85Å; V606-L630 HydrophobicContact CG2-CD1 3.97Å; L609-L630 HydrophobicContact CB-CB 4.39Å; L609-L630 HydrophobicContact CB-CD1 4.18Å; L609-L630 HydrophobicContact CD1-CB 4.14Å; Q610-L630 HydrophobicContact CG-CD1 4.19Å; Q610-L630 HydrophobicContact CG-CD2 4.27Å; L613-L630 HydrophobicContact CD1-CD2 3.7Å; W626-L630 VanDerWaalsContact O-CB 3.31Å; W626-L630 WeakPolarHBondContact O-CB 3.41Å; W626-L630 PolarHBondContact O-N 3.38Å; W627-L630 HydrophobicContact CE3-CD2 3.95Å; W627-L630 HydrophobicContact CZ3-CD2 3.85Å; W627-L630 PolarHBondContact O-N 2.97Å; D628-L630 VanDerWaalsContact C-N 3.33Å; D628-L630 PolarHBondContact O-N 3.27Å; L630-L632 VanDerWaalsContact C-N 3.26Å; L630-L632 PolarHBondContact O-N 3.23Å; L630-N633 PolarHBondContact O-N 3.14Å; L630-F634 HydrophobicContact CD1-CD2 3.89Å; L630-F634 HydrophobicContact CD1-CE2 3.34Å; L630-F634 HydrophobicContact CD1-CZ 3.89Å; L630-F634 HydrophobicContact CD2-CE2 4.3Å; L630-F634 HydrophobicContact CG-CD2 3.99Å; L630-F634 HydrophobicContact CG-CE2 3.66Å; L630-F634 WeakPolarHBondContact O-CD2 3.29Å; L630-F634 PolarHBondContact O-N 3.23Å; L630-A647 HydrophobicContact CD2-CB 4.15Å; L630-A647 HydrophobicContact CG-CB 4.04Å
631	A	98.4	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-32.6	174.6	0	0	0	0	0	112.5	W627 H635 A647 M648 L665	W627-A631 WeakPolarHBondContact O-CB 3.22Å; W627-A631 PolarHBondContact O-N 2.76Å; A631-H635 VanDerWaalsContact O-CB 3.3Å; A631-H635 WeakPolarHBondContact O-CB 2.94Å; A631-H635 PolarHBondContact O-N 3.04Å; A631-H635 VanDerWaalsContact O-N 3.16Å; A631-A647 HydrophobicContact CB-CB 4.18Å; A631-M648 HydrophobicContact CB-CG 3.77Å; A631-L665 HydrophobicContact CB-CD2 3.9Å
632	L	98.3	Very high	97.2	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.089	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-47.7	172.5	-172.6	146.8	0	0	0	112.1	D628 R629 L630 H635 Q636 H637	D628-L632 WeakPolarHBondContact O-CB 3.37Å; D628-L632 PolarHBondContact O-N 2.68Å; R629-L632 PolarHBondContact O-N 3.07Å; L630-L632 VanDerWaalsContact C-N 3.26Å; L630-L632 PolarHBondContact O-N 3.23Å; L632-H635 PolarHBondContact O-N 3.42Å; L632-Q636 WeakPolarHBondContact O-CB 3.48Å; L632-Q636 PolarHBondContact O-N 3.28Å; L632-H637 WeakPolarHBondContact CD2-NE2 3.37Å
633	N	98.4	Very high	97.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	20%	0.201	C	C	.	.	I	π-helix	trans	-58	-52.4	178.2	-80.1	-4.5	0	0	0	111	Q597 V606 R629 L630 H635 H637 L638	Q597-N633 PolarHBondContact NE2-ND2 3.45Å; Q597-N633 PolarHBondContact NE2-OD1 2.85Å; V606-N633 HydrophobicContact CG2-CB 3.46Å; V606-N633 VanDerWaalsContact CG2-CB 3.46Å; R629-N633 WeakPolarHBondContact O-CB 3.47Å; R629-N633 PolarHBondContact O-N 3.48Å; L630-N633 PolarHBondContact O-N 3.14Å; N633-H635 PolarHBondContact O-N 2.99Å; N633-H637 PolarHBondContact O-N 2.83Å; N633-H637 VanDerWaalsContact O-N 3.11Å; N633-L638 PolarHBondContact O-N 3.42Å
634	F	98.4	Very high	97.4	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.039	20%	0.196	C	C	.	.	I	π-helix	trans	-58.5	-48.5	179.4	-74.9	-50.6	0	0	0	112.5	V606 L630 L638 K639 K640 Q643 A644 A647	V606-F634 HydrophobicContact CG1-CE1 3.6Å; V606-F634 HydrophobicContact CG1-CE2 4.31Å; V606-F634 HydrophobicContact CG1-CZ 3.46Å; V606-F634 VanDerWaalsContact CG1-CZ 3.46Å; V606-F634 HydrophobicContact CG2-CD1 4.41Å; V606-F634 HydrophobicContact CG2-CE1 4.22Å; V606-F634 HydrophobicContact CG2-CZ 4.45Å; L630-F634 HydrophobicContact CD1-CD2 3.89Å; L630-F634 HydrophobicContact CD1-CE2 3.34Å; L630-F634 HydrophobicContact CD1-CZ 3.89Å; L630-F634 HydrophobicContact CD2-CE2 4.3Å; L630-F634 HydrophobicContact CG-CD2 3.99Å; L630-F634 HydrophobicContact CG-CE2 3.66Å; L630-F634 WeakPolarHBondContact O-CD2 3.29Å; L630-F634 PolarHBondContact O-N 3.23Å; F634-L638 HydrophobicContact CD1-CD1 4.02Å; F634-L638 HydrophobicContact CE1-CD1 4.33Å; F634-K639 CarbonylContact O-C 3.5Å; F634-K639 PolarHBondContact O-N 2.97Å; F634-K640 HydrophobicContact CD1-CB 4.26Å; F634-K640 PolarHBondContact O-N 3.48Å; F634-Q643 HydrophobicContact CB-CB 4.36Å; F634-Q643 HydrophobicContact CD1-CB 3.64Å; F634-Q643 HydrophobicContact CD2-CB 3.89Å; F634-Q643 HydrophobicContact CE1-CB 3.76Å; F634-Q643 HydrophobicContact CE1-CG 4.32Å; F634-Q643 HydrophobicContact CE2-CB 3.97Å; F634-Q643 HydrophobicContact CG-CB 3.73Å; F634-Q643 HydrophobicContact CZ-CB 3.93Å; F634-A644 HydrophobicContact CB-CB 3.7Å; F634-A647 HydrophobicContact CD2-CB 4.21Å; F634-A647 HydrophobicContact CE2-CB 4.42Å
635	H	96.9	Very high	97.4	Very high	44 Å²	44	43.3 Å²	43.3	20%	0.204	20%	0.196	C	C	.	.	I	π-helix	trans	-72.9	-58	-178	173.9	-165.9	0	0	0	112.5	A631 L632 N633 A644 M672	A631-H635 VanDerWaalsContact O-CB 3.3Å; A631-H635 WeakPolarHBondContact O-CB 2.94Å; A631-H635 PolarHBondContact O-N 3.04Å; A631-H635 VanDerWaalsContact O-N 3.16Å; L632-H635 PolarHBondContact O-N 3.42Å; N633-H635 PolarHBondContact O-N 2.99Å; H635-A644 HydrophobicContact CB-CB 3.83Å; H635-M672 HydrophobicContact CB-SD 4.22Å; H635-M672 WeakPolarHBondContact CE1-CG 3.39Å; H635-M672 WeakPolarHBondContact ND1-CG 3.41Å; H635-M672 PolarHBondContact ND1-SD 3.42Å; H635-M672 VanDerWaalsContact ND1-SD 3.41Å
636	Q	95.9	Very high	97.4	Very high	92 Å²	92	41.7 Å²	41.7	43%	0.43	20%	0.198	S	C	.	.	I	π-helix	trans	-84.7	-34.1	-165.8	-67.6	-169.7	-36.5	0	0	113.5	L632 K639	L632-Q636 WeakPolarHBondContact O-CB 3.48Å; L632-Q636 PolarHBondContact O-N 3.28Å; Q636-K639 WeakPolarHBondContact O-CE 3.33Å; Q636-K639 PolarHBondContact O-NZ 3.27Å
637	H	97	Very high	97.4	Very high	64 Å²	64	41.7 Å²	41.7	30%	0.296	20%	0.199	S	C	.	.	I	π-helix	trans	-100.3	-60.2	-175	-60.6	-56.8	0	0	0	111.6	Y602 L632 N633 K639	Y602-H637 HydrophobicContact CD1-CB 3.71Å; Y602-H637 AromaticContact CD1-CD2 3.48Å; Y602-H637 VanDerWaalsContact CD1-CD2 3.48Å; Y602-H637 WeakPolarHBondContact CD1-CD2 3.16Å; Y602-H637 AromaticContact CD1-CG 3.53Å; Y602-H637 HydrophobicContact CD2-CB 3.78Å; Y602-H637 HydrophobicContact CE1-CB 4.04Å; Y602-H637 AromaticContact CE1-CD2 3.27Å; Y602-H637 WeakPolarHBondContact CE1-CD2 3.23Å; Y602-H637 AromaticContact CE1-CE1 3.66Å; Y602-H637 AromaticContact CE1-CG 3.37Å; Y602-H637 AromaticContact CE1-ND1 3.61Å; Y602-H637 AromaticContact CE1-NE2 3.49Å; Y602-H637 WeakPolarHBondContact CE1-NE2 3.27Å; Y602-H637 HydrophobicContact CE2-CB 4.09Å; Y602-H637 AromaticContact CE2-CG 3.96Å; Y602-H637 AromaticContact CE2-ND1 3.86Å; Y602-H637 HydrophobicContact CG-CB 3.57Å; Y602-H637 AromaticContact CG-CG 3.9Å; Y602-H637 AromaticContact CZ-CD2 3.92Å; Y602-H637 AromaticContact CZ-CE1 3.62Å; Y602-H637 AromaticContact CZ-CG 3.6Å; Y602-H637 AromaticContact CZ-ND1 3.4Å; Y602-H637 AromaticContact CZ-NE2 3.96Å; Y602-H637 PolarHBondContact OH-CE1 2.86Å; L632-H637 WeakPolarHBondContact CD2-NE2 3.37Å; N633-H637 PolarHBondContact O-N 2.83Å; N633-H637 VanDerWaalsContact O-N 3.11Å; H637-K639 VanDerWaalsContact C-N 3.33Å; H637-K639 PolarHBondContact O-N 3.42Å
638	L	97.5	Very high	97.3	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.131	19%	0.193	C	C	.	.	S	Bend	trans	-77.4	-13.4	-175.1	-56.1	-174.3	0	0	0	114.6	E603 V606 N633 F634 K640	E603-L638 HydrophobicContact CG-CD2 3.97Å; E603-L638 WeakPolarHBondContact OE1-CD2 3.38Å; V606-L638 HydrophobicContact CB-CD1 4.36Å; V606-L638 HydrophobicContact CG2-CD1 3.7Å; N633-L638 PolarHBondContact O-N 3.42Å; F634-L638 HydrophobicContact CD1-CD1 4.02Å; F634-L638 HydrophobicContact CE1-CD1 4.33Å; L638-K640 VanDerWaalsContact C-N 3.28Å; L638-K640 HydrophobicContact CB-CD 4.29Å; L638-K640 HydrophobicContact CB-CG 4.13Å; L638-K640 PolarHBondContact O-N 3.29Å
639	K	96.3	Very high	97.3	Very high	151 Å²	151	43.5 Å²	43.5	66%	0.657	20%	0.204	S	C	*	.			trans	57	34.7	-177.5	-46.1	-54.3	-173.1	-174.1	0	114.2	F634 Q636 H637 P641	F634-K639 CarbonylContact O-C 3.5Å; F634-K639 PolarHBondContact O-N 2.97Å; Q636-K639 WeakPolarHBondContact O-CE 3.33Å; Q636-K639 PolarHBondContact O-NZ 3.27Å; H637-K639 VanDerWaalsContact C-N 3.33Å; H637-K639 PolarHBondContact O-N 3.42Å; K639-P641 WeakPolarHBondContact O-CD 3.18Å
640	K	96.4	Very high	97.2	Very high	96 Å²	96	43.3 Å²	43.3	42%	0.417	21%	0.209	S	C	.	.			trans	-105.7	74.9	178	-58.3	-176.6	-171.8	175.6	0	110.4	F634 L638 D642 Q643 A644	F634-K640 HydrophobicContact CD1-CB 4.26Å; F634-K640 PolarHBondContact O-N 3.48Å; L638-K640 VanDerWaalsContact C-N 3.28Å; L638-K640 HydrophobicContact CB-CD 4.29Å; L638-K640 HydrophobicContact CB-CG 4.13Å; L638-K640 PolarHBondContact O-N 3.29Å; K640-D642 PolarHBondContact O-N 3.39Å; K640-Q643 HydrophobicContact CB-CB 4.32Å; K640-Q643 PolarHBondContact O-N 3.16Å; K640-A644 PolarHBondContact O-N 2.88Å; K640-A644 VanDerWaalsContact O-N 3.12Å
641	P	95.8	Very high	97.1	Very high	25 Å²	25	43 Å²	43	16%	0.162	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-34.4	-172.7	25.5	-36.2	0	0	0	113.9	K639 Q643 A644 I645 M672 Y681	K639-P641 WeakPolarHBondContact O-CD 3.18Å; P641-Q643 PolarHBondContact O-N 2.85Å; P641-A644 WeakPolarHBondContact O-CB 3.37Å; P641-A644 PolarHBondContact O-N 3.47Å; P641-I645 WeakPolarHBondContact O-CD1 3.17Å; P641-I645 VanDerWaalsContact O-CG1 3.28Å; P641-I645 WeakPolarHBondContact O-CG1 3.25Å; P641-I645 PolarHBondContact O-N 3.21Å; P641-M672 HydrophobicContact CB-CE 3.9Å; P641-Y681 HydrophobicContact CB-CD2 4.14Å; P641-Y681 HydrophobicContact CB-CE2 3.7Å; P641-Y681 HydrophobicContact CG-CD2 4.3Å; P641-Y681 HydrophobicContact CG-CE2 3.39Å; P641-Y681 WeakPolarHBondContact CG-OH 3.31Å
642	D	95.2	Very high	97	Very high	79 Å²	79	43.6 Å²	43.6	42%	0.422	21%	0.211	S	C	.	.	H	α-helix	trans	-57.2	-48.7	175.1	-61.6	-98.9	0	0	0	111.6	K640 A644 I645 C646 Y681	K640-D642 PolarHBondContact O-N 3.39Å; D642-A644 VanDerWaalsContact C-N 3.32Å; D642-A644 PolarHBondContact O-N 3.06Å; D642-I645 PolarHBondContact O-N 3.49Å; D642-I645 VanDerWaalsContact O-N 3.13Å; D642-C646 PolarHBondContact O-N 3.41Å; D642-Y681 VanDerWaalsContact OD1-CE1 3.22Å; D642-Y681 WeakPolarHBondContact OD1-CE1 3.31Å; D642-Y681 WeakPolarHBondContact OD2-CE1 3.02Å; D642-Y681 VanDerWaalsContact OD2-CZ 3.28Å; D642-Y681 PolarHBondContact OD2-OH 2.73Å
643	Q	97.4	Very high	96.9	Very high	84 Å²	84	46.6 Å²	46.6	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-67.4	-32.8	177.5	-65.7	-174.4	-49.6	0	0	112.2	F634 K640 P641 I645 A647	F634-Q643 HydrophobicContact CB-CB 4.36Å; F634-Q643 HydrophobicContact CD1-CB 3.64Å; F634-Q643 HydrophobicContact CD2-CB 3.89Å; F634-Q643 HydrophobicContact CE1-CB 3.76Å; F634-Q643 HydrophobicContact CE1-CG 4.32Å; F634-Q643 HydrophobicContact CE2-CB 3.97Å; F634-Q643 HydrophobicContact CG-CB 3.73Å; F634-Q643 HydrophobicContact CZ-CB 3.93Å; K640-Q643 HydrophobicContact CB-CB 4.32Å; K640-Q643 PolarHBondContact O-N 3.16Å; P641-Q643 PolarHBondContact O-N 2.85Å; Q643-I645 VanDerWaalsContact C-N 3.34Å; Q643-A647 WeakPolarHBondContact O-CB 3.5Å; Q643-A647 PolarHBondContact O-N 3.19Å
644	A	97.7	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.1	-36.4	171.5	0	0	0	0	0	112.3	F634 H635 K640 P641 D642 M648 M672	F634-A644 HydrophobicContact CB-CB 3.7Å; H635-A644 HydrophobicContact CB-CB 3.83Å; K640-A644 PolarHBondContact O-N 2.88Å; K640-A644 VanDerWaalsContact O-N 3.12Å; P641-A644 WeakPolarHBondContact O-CB 3.37Å; P641-A644 PolarHBondContact O-N 3.47Å; D642-A644 VanDerWaalsContact C-N 3.32Å; D642-A644 PolarHBondContact O-N 3.06Å; A644-M648 WeakPolarHBondContact O-CB 3.28Å; A644-M648 VanDerWaalsContact O-CG 3.26Å; A644-M648 WeakPolarHBondContact O-CG 3.41Å; A644-M648 PolarHBondContact O-N 3.19Å; A644-M672 HydrophobicContact CB-CE 4.33Å
645	I	97.2	Very high	96.5	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-69.4	-42.4	177.9	-70	161.3	0	0	0	111	P641 D642 Q643 M648 R649 M672 Y681 Q684 L685	P641-I645 WeakPolarHBondContact O-CD1 3.17Å; P641-I645 VanDerWaalsContact O-CG1 3.28Å; P641-I645 WeakPolarHBondContact O-CG1 3.25Å; P641-I645 PolarHBondContact O-N 3.21Å; D642-I645 PolarHBondContact O-N 3.49Å; D642-I645 VanDerWaalsContact O-N 3.13Å; Q643-I645 VanDerWaalsContact C-N 3.34Å; I645-M648 HydrophobicContact CB-CE 4.49Å; I645-M648 HydrophobicContact CG1-CE 3.98Å; I645-M648 PolarHBondContact O-N 2.86Å; I645-R649 PolarHBondContact O-N 2.82Å; I645-M672 HydrophobicContact CD1-CE 4.19Å; I645-M672 HydrophobicContact CG1-CE 3.91Å; I645-Y681 HydrophobicContact CD1-CD1 3.84Å; I645-Y681 HydrophobicContact CD1-CD2 4.42Å; I645-Y681 HydrophobicContact CD1-CG 3.7Å; I645-Q684 HydrophobicContact CG2-CB 4.18Å; I645-L685 HydrophobicContact CD1-CD1 4.38Å; I645-L685 HydrophobicContact CD1-CD2 4.16Å; I645-L685 HydrophobicContact CD1-CG 4.04Å; I645-L685 HydrophobicContact CG1-CD2 3.76Å; I645-L685 HydrophobicContact CG1-CG 4.19Å
646	C	96.8	Very high	96.3	Very high	54 Å²	54	52.9 Å²	52.9	37%	0.365	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-52.3	171	-63.5	0	0	0	0	111	D642 M648 R649 D650	D642-C646 PolarHBondContact O-N 3.41Å; C646-M648 PolarHBondContact O-N 2.77Å; C646-M648 VanDerWaalsContact O-N 3.11Å; C646-R649 WeakPolarHBondContact O-CA 3.37Å; C646-R649 WeakPolarHBondContact O-CB 3.34Å; C646-R649 PolarHBondContact O-N 3.43Å; C646-D650 PolarHBondContact O-N 3.12Å
647	A	97.8	Very high	96.2	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-58.7	-29.3	178.1	0	0	0	0	0	114.1	W627 L630 A631 F634 Q643 G651	W627-A647 HydrophobicContact CE3-CB 4.23Å; W627-A647 HydrophobicContact CZ3-CB 4.24Å; L630-A647 HydrophobicContact CD2-CB 4.15Å; L630-A647 HydrophobicContact CG-CB 4.04Å; A631-A647 HydrophobicContact CB-CB 4.18Å; F634-A647 HydrophobicContact CD2-CB 4.21Å; F634-A647 HydrophobicContact CE2-CB 4.42Å; Q643-A647 WeakPolarHBondContact O-CB 3.5Å; Q643-A647 PolarHBondContact O-N 3.19Å; A647-G651 PolarHBondContact O-N 3.34Å; A647-G651 VanDerWaalsContact O-N 3.11Å
648	M	97.8	Very high	95.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-74.9	-40	170.8	-71.9	-177.7	-56	0	0	112.8	A631 A644 I645 C646 L652 L665 R668 A669 M672 L685 L688	A631-M648 HydrophobicContact CB-CG 3.77Å; A644-M648 WeakPolarHBondContact O-CB 3.28Å; A644-M648 VanDerWaalsContact O-CG 3.26Å; A644-M648 WeakPolarHBondContact O-CG 3.41Å; A644-M648 PolarHBondContact O-N 3.19Å; I645-M648 HydrophobicContact CB-CE 4.49Å; I645-M648 HydrophobicContact CG1-CE 3.98Å; I645-M648 PolarHBondContact O-N 2.86Å; C646-M648 PolarHBondContact O-N 2.77Å; C646-M648 VanDerWaalsContact O-N 3.11Å; M648-L652 VanDerWaalsContact O-CB 3.23Å; M648-L652 WeakPolarHBondContact O-CB 3.4Å; M648-L652 WeakPolarHBondContact O-CD1 3.09Å; M648-L652 WeakPolarHBondContact O-CG 3.21Å; M648-L652 PolarHBondContact O-N 3.46Å; M648-L665 HydrophobicContact CG-CB 4.48Å; M648-L665 HydrophobicContact CG-CD2 4.05Å; M648-R668 HydrophobicContact SD-CB 3.79Å; M648-R668 HydrophobicContact SD-CG 3.71Å; M648-A669 HydrophobicContact CE-CB 4.07Å; M648-A669 HydrophobicContact SD-CB 3.93Å; M648-A669 PolarHBondContact SD-N 3.46Å; M648-M672 HydrophobicContact CE-CE 4.21Å; M648-M672 HydrophobicContact CE-SD 3.54Å; M648-M672 VanDerWaalsContact CE-SD 3.54Å; M648-M672 HydrophobicContact SD-SD 4.29Å; M648-L685 HydrophobicContact CE-CD2 3.84Å; M648-L688 HydrophobicContact CB-CD1 4.17Å; M648-L688 HydrophobicContact CE-CD1 4.22Å
649	R	97	Very high	95.3	Very high	86 Å²	86	50.4 Å²	50.4	33%	0.325	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-51.1	174.3	-171.7	-174.6	-68.6	121.9	-5.2	110.7	I645 C646 L652 S653 L688	I645-R649 PolarHBondContact O-N 2.82Å; C646-R649 WeakPolarHBondContact O-CA 3.37Å; C646-R649 WeakPolarHBondContact O-CB 3.34Å; C646-R649 PolarHBondContact O-N 3.43Å; R649-L652 PolarHBondContact O-N 3.19Å; R649-S653 WeakPolarHBondContact O-CB 3.27Å; R649-S653 PolarHBondContact O-N 2.69Å; R649-S653 PolarHBondContact O-OG 2.97Å; R649-L688 HydrophobicContact CB-CD2 3.54Å; R649-L688 HydrophobicContact CG-CD2 4.08Å
650	D	96.5	Very high	95	Very high	72 Å²	72	43.9 Å²	43.9	39%	0.385	24%	0.241	S	C	.	.	H	α-helix	trans	-67.4	-46.7	-174	-52.6	-20.9	0	0	0	109.9	W627 C646 L652 S653 D654	W627-D650 HydrophobicContact CE3-CB 4.46Å; W627-D650 HydrophobicContact CH2-CB 3.41Å; W627-D650 VanDerWaalsContact CH2-CB 3.41Å; W627-D650 HydrophobicContact CZ2-CB 3.93Å; W627-D650 HydrophobicContact CZ3-CB 3.71Å; C646-D650 PolarHBondContact O-N 3.12Å; D650-L652 VanDerWaalsContact C-N 3.32Å; D650-L652 PolarHBondContact O-N 3.49Å; D650-S653 CarbonylContact O-C 3.6Å; D650-S653 PolarHBondContact O-N 2.89Å; D650-D654 PolarHBondContact O-N 3.24Å
651	G	96.9	Very high	94.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.6	-21.2	175	0	0	0	0	0	115.7	W627 A647 V657 L665	W627-G651 VanDerWaalsContact CG-CA 3.48Å; A647-G651 PolarHBondContact O-N 3.34Å; A647-G651 VanDerWaalsContact O-N 3.11Å; G651-V657 WeakPolarHBondContact O-CB 3.42Å; G651-V657 WeakPolarHBondContact O-CG1 3.49Å; G651-V657 WeakPolarHBondContact O-CG2 3.46Å; G651-L665 VanDerWaalsContact C-CD1 3.46Å
652	L	95.9	Very high	94.8	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-79.4	-24	168	-77.1	168.6	0	0	0	112.4	M648 R649 D650 K662 L665 L688 P689 V691	M648-L652 VanDerWaalsContact O-CB 3.23Å; M648-L652 WeakPolarHBondContact O-CB 3.4Å; M648-L652 WeakPolarHBondContact O-CD1 3.09Å; M648-L652 WeakPolarHBondContact O-CG 3.21Å; M648-L652 PolarHBondContact O-N 3.46Å; R649-L652 PolarHBondContact O-N 3.19Å; D650-L652 VanDerWaalsContact C-N 3.32Å; D650-L652 PolarHBondContact O-N 3.49Å; L652-K662 HydrophobicContact CD2-CB 3.92Å; L652-K662 HydrophobicContact CD2-CG 4.28Å; L652-K662 WeakPolarHBondContact CD2-O 3.36Å; L652-K662 WeakPolarHBondContact O-CE 3.3Å; L652-L665 HydrophobicContact CD2-CB 4.23Å; L652-L665 HydrophobicContact CG-CB 4.14Å; L652-L665 HydrophobicContact CG-CD1 4.41Å; L652-L688 HydrophobicContact CD1-CB 4.25Å; L652-P689 HydrophobicContact CB-CB 4.3Å; L652-P689 HydrophobicContact CB-CG 4.06Å; L652-P689 HydrophobicContact CD1-CB 4.37Å; L652-P689 HydrophobicContact CD1-CG 4.48Å; L652-V691 HydrophobicContact CD2-CG2 4.22Å
653	S	95.1	Very high	94.8	Very high	80 Å²	80	39.6 Å²	39.6	56%	0.559	22%	0.217	S	C	*	.	H	α-helix	trans	-91.8	-25.7	-178.4	-52.1	0	0	0	0	112.7	R649 D650	R649-S653 WeakPolarHBondContact O-CB 3.27Å; R649-S653 PolarHBondContact O-N 2.69Å; R649-S653 PolarHBondContact O-OG 2.97Å; D650-S653 CarbonylContact O-C 3.6Å; D650-S653 PolarHBondContact O-N 2.89Å
654	D	95.8	Very high	94.7	Very high	16 Å²	16	36.3 Å²	36.3	9%	0.086	20%	0.203	C	C	.	.			trans	-60.5	121.1	176.3	-175.5	-35	0	0	0	110.9	R623 W627 D650 L656 V657 K662	R623-D654 IonicContact CZ-OD2 2.71Å; R623-D654 VanDerWaalsContact CZ-OD2 3.24Å; R623-D654 IonicContact NE-OD1 2.66Å; R623-D654 IonicContact NE-OD2 2.66Å; R623-D654 PolarHBondContact NE-OD2 3.02Å; R623-D654 IonicContact NH2-OD2 3.09Å; R623-D654 PolarHBondContact NH2-OD2 3.33Å; W627-D654 PolarHBondContact NE1-OD2 3.02Å; D650-D654 PolarHBondContact O-N 3.24Å; D654-L656 VanDerWaalsContact C-N 3.3Å; D654-L656 PolarHBondContact O-N 3.3Å; D654-L656 WeakPolarHBondContact OD1-CB 3.4Å; D654-L656 PolarHBondContact OD1-N 3.4Å; D654-V657 HydrophobicContact CB-CB 4.5Å; D654-V657 HydrophobicContact CB-CG2 3.69Å; D654-V657 PolarHBondContact O-N 2.77Å; D654-K662 PolarHBondContact O-NZ 3.22Å
655	P	93.1	Very high	94.6	Very high	111 Å²	111	36.3 Å²	36.3	72%	0.721	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-28	-175.5	27.4	-34.2	0	0	0	112.8	V657	P655-V657 VanDerWaalsContact C-N 3.27Å; P655-V657 PolarHBondContact O-N 2.97Å
656	L	92.6	Very high	94.5	Very high	58 Å²	58	37.5 Å²	37.5	30%	0.304	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-17	-177.1	-59.9	171.5	0	0	0	112.3	P620 D654 R658	P620-L656 HydrophobicContact CB-CD1 3.93Å; P620-L656 HydrophobicContact CB-CD2 4.48Å; D654-L656 VanDerWaalsContact C-N 3.3Å; D654-L656 PolarHBondContact O-N 3.3Å; D654-L656 WeakPolarHBondContact OD1-CB 3.4Å; D654-L656 PolarHBondContact OD1-N 3.4Å; L656-R658 PolarHBondContact O-N 3.47Å; L656-R658 PolarHBondContact O-NE 3.37Å
657	V	93.6	Very high	94.4	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.199	C	C	.	.	S	Bend	trans	-73.4	108.9	176.8	-177.9	0	0	0	0	110.5	W627 G651 D654 P655 H661 K662	W627-V657 VanDerWaalsContact CD1-CG2 3.43Å; W627-V657 HydrophobicContact CG-CG2 4.41Å; G651-V657 WeakPolarHBondContact O-CB 3.42Å; G651-V657 WeakPolarHBondContact O-CG1 3.49Å; G651-V657 WeakPolarHBondContact O-CG2 3.46Å; D654-V657 HydrophobicContact CB-CB 4.5Å; D654-V657 HydrophobicContact CB-CG2 3.69Å; D654-V657 PolarHBondContact O-N 2.77Å; P655-V657 VanDerWaalsContact C-N 3.27Å; P655-V657 PolarHBondContact O-N 2.97Å; V657-H661 HydrophobicContact CG1-CB 3.67Å; V657-K662 HydrophobicContact CB-CG 4.27Å; V657-K662 HydrophobicContact CG1-CG 3.75Å; V657-K662 WeakPolarHBondContact O-CE 3.31Å; V657-K662 WeakPolarHBondContact O-CG 3.46Å; V657-K662 PolarHBondContact O-NZ 3.21Å
658	R	90.3	Very high	94.2	Very high	47 Å²	47	36.9 Å²	36.9	18%	0.177	20%	0.199	C	C	.	.			trans	-69.5	160.3	179.4	-51.4	-59.2	168.3	124.3	-9.3	113	L656 G660 H661 K662 D796 D873	L656-R658 PolarHBondContact O-N 3.47Å; L656-R658 PolarHBondContact O-NE 3.37Å; R658-G660 VanDerWaalsContact C-N 3.3Å; R658-G660 PolarHBondContact O-N 2.97Å; R658-G660 VanDerWaalsContact O-N 3.15Å; R658-H661 PolarHBondContact O-N 3.47Å; R658-K662 PolarHBondContact O-N 2.9Å; R658-D796 IonicContact CZ-OD1 3.16Å; R658-D796 IonicContact CZ-OD2 2.75Å; R658-D796 IonicContact NH1-OD1 3.84Å; R658-D796 PolarHBondContact NH1-OD1 3.07Å; R658-D796 IonicContact NH2-OD1 3.03Å; R658-D796 PolarHBondContact NH2-OD1 3.32Å; R658-D796 IonicContact NH2-OD2 2.8Å; R658-D796 PolarHBondContact NH2-OD2 3.21Å; R658-D873 WeakPolarHBondContact CD-OD2 3.22Å; R658-D873 IonicContact CZ-OD2 3.64Å; R658-D873 IonicContact NE-OD2 3.82Å; R658-D873 IonicContact NH1-OD1 3.86Å; R658-D873 IonicContact NH1-OD2 2.73Å; R658-D873 PolarHBondContact NH1-OD2 3.07Å
659	T	86.4	Confident	94.1	Very high	80 Å²	80	37 Å²	37	49%	0.491	20%	0.2	S	C	.	.	H	α-helix	trans	-46.7	-44.9	-174.5	51.4	0	0	0	0	113.9	H661 K662 L663 I912	T659-H661 VanDerWaalsContact C-N 3.31Å; T659-H661 PolarHBondContact O-N 3.31Å; T659-K662 PolarHBondContact O-N 3.38Å; T659-L663 WeakPolarHBondContact O-CB 3.33Å; T659-L663 PolarHBondContact O-N 2.92Å; T659-I912 VanDerWaalsContact C-CD1 3.41Å
660	G	90.2	Very high	93.9	Very high	13 Å²	13	36 Å²	36	13%	0.134	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-36.4	178.6	0	0	0	0	0	114.7	R658 S664 I912	R658-G660 VanDerWaalsContact C-N 3.3Å; R658-G660 PolarHBondContact O-N 2.97Å; R658-G660 VanDerWaalsContact O-N 3.15Å; G660-S664 PolarHBondContact O-N 2.75Å; G660-I912 VanDerWaalsContact CA-CD1 3.41Å; G660-I912 VanDerWaalsContact N-CD1 3.32Å
661	H	93.8	Very high	93.8	Very high	61 Å²	61	38.7 Å²	38.7	28%	0.282	21%	0.206	S	C	.	.	H	α-helix	trans	-83	-36.4	176.1	-74.3	-69.2	0	0	0	112	G624 V657 R658 T659 L663 S664 L665	G624-H661 VanDerWaalsContact O-CG 3.31Å; G624-H661 PolarHBondContact O-ND1 2.92Å; G624-H661 VanDerWaalsContact O-ND1 3.15Å; V657-H661 HydrophobicContact CG1-CB 3.67Å; R658-H661 PolarHBondContact O-N 3.47Å; T659-H661 VanDerWaalsContact C-N 3.31Å; T659-H661 PolarHBondContact O-N 3.31Å; H661-L663 VanDerWaalsContact C-N 3.27Å; H661-L663 PolarHBondContact O-N 3.11Å; H661-S664 PolarHBondContact O-N 3.04Å; H661-S664 VanDerWaalsContact O-N 3.13Å; H661-L665 WeakPolarHBondContact O-CG 3.23Å; H661-L665 PolarHBondContact O-N 3.03Å
662	K	94.3	Very high	93.6	Very high	46 Å²	46	38.7 Å²	38.7	20%	0.2	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-42	169.8	-69.3	-166.7	156.7	104.2	0	111.3	L652 D654 V657 R658 T659 L665 H666 V691	L652-K662 HydrophobicContact CD2-CB 3.92Å; L652-K662 HydrophobicContact CD2-CG 4.28Å; L652-K662 WeakPolarHBondContact CD2-O 3.36Å; L652-K662 WeakPolarHBondContact O-CE 3.3Å; D654-K662 PolarHBondContact O-NZ 3.22Å; V657-K662 HydrophobicContact CB-CG 4.27Å; V657-K662 HydrophobicContact CG1-CG 3.75Å; V657-K662 WeakPolarHBondContact O-CE 3.31Å; V657-K662 WeakPolarHBondContact O-CG 3.46Å; V657-K662 PolarHBondContact O-NZ 3.21Å; R658-K662 PolarHBondContact O-N 2.9Å; T659-K662 PolarHBondContact O-N 3.38Å; K662-L665 PolarHBondContact O-N 3.09Å; K662-H666 WeakPolarHBondContact O-CB 3.4Å; K662-H666 PolarHBondContact O-N 3.44Å; K662-V691 HydrophobicContact CB-CG2 4.32Å
663	L	94.3	Very high	93.5	Very high	4 Å²	4	41 Å²	41	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-43.3	173.6	-177	64.2	0	0	0	112.7	T659 H661 L665 H666 Q667 V691 I693 Q908 Q911 I912	T659-L663 WeakPolarHBondContact O-CB 3.33Å; T659-L663 PolarHBondContact O-N 2.92Å; H661-L663 VanDerWaalsContact C-N 3.27Å; H661-L663 PolarHBondContact O-N 3.11Å; L663-L665 VanDerWaalsContact C-N 3.33Å; L663-L665 PolarHBondContact O-N 2.88Å; L663-H666 PolarHBondContact O-N 2.84Å; L663-Q667 HydrophobicContact CD1-CG 3.98Å; L663-Q667 HydrophobicContact CG-CG 4.17Å; L663-Q667 WeakPolarHBondContact O-CB 3.43Å; L663-Q667 VanDerWaalsContact O-CG 3.29Å; L663-Q667 WeakPolarHBondContact O-CG 3.39Å; L663-Q667 PolarHBondContact O-N 3.12Å; L663-V691 HydrophobicContact CB-CG1 4.37Å; L663-V691 HydrophobicContact CD1-CB 4.44Å; L663-V691 HydrophobicContact CD1-CG1 3.97Å; L663-I693 HydrophobicContact CD1-CD1 3.56Å; L663-I693 HydrophobicContact CD1-CG1 4.36Å; L663-I693 HydrophobicContact CD2-CD1 3.37Å; L663-I693 HydrophobicContact CG-CD1 4.01Å; L663-Q908 HydrophobicContact CB-CG 4.41Å; L663-Q908 HydrophobicContact CD2-CB 3.85Å; L663-Q908 HydrophobicContact CD2-CG 3.88Å; L663-Q908 HydrophobicContact CG-CB 4.46Å; L663-Q908 HydrophobicContact CG-CG 4.09Å; L663-Q911 HydrophobicContact CD2-CB 4.2Å; L663-I912 HydrophobicContact CB-CD1 4.23Å; L663-I912 HydrophobicContact CD2-CD1 4.13Å; L663-I912 HydrophobicContact CD2-CG1 4.07Å
664	S	95.2	Very high	93.2	Very high	14 Å²	14	41.9 Å²	41.9	10%	0.098	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-42.6	177.6	-170.9	0	0	0	0	112.3	D628 G660 H661 R668	D628-S664 WeakPolarHBondContact OD1-CB 3.34Å; D628-S664 PolarHBondContact OD1-OG 3.05Å; G660-S664 PolarHBondContact O-N 2.75Å; H661-S664 PolarHBondContact O-N 3.04Å; H661-S664 VanDerWaalsContact O-N 3.13Å; S664-R668 VanDerWaalsContact O-CB 3.32Å; S664-R668 WeakPolarHBondContact O-CB 3.24Å; S664-R668 PolarHBondContact O-N 2.73Å
665	L	96.4	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.4	-47.6	174	-65.6	172.7	0	0	0	111.3	W627 D628 A631 M648 G651 L652 H661 K662 L663 Q667 R668 A669	W627-L665 HydrophobicContact CB-CD1 4.25Å; D628-L665 HydrophobicContact CB-CD2 4.43Å; A631-L665 HydrophobicContact CB-CD2 3.9Å; M648-L665 HydrophobicContact CG-CB 4.48Å; M648-L665 HydrophobicContact CG-CD2 4.05Å; G651-L665 VanDerWaalsContact C-CD1 3.46Å; L652-L665 HydrophobicContact CD2-CB 4.23Å; L652-L665 HydrophobicContact CG-CB 4.14Å; L652-L665 HydrophobicContact CG-CD1 4.41Å; H661-L665 WeakPolarHBondContact O-CG 3.23Å; H661-L665 PolarHBondContact O-N 3.03Å; K662-L665 PolarHBondContact O-N 3.09Å; L663-L665 VanDerWaalsContact C-N 3.33Å; L663-L665 PolarHBondContact O-N 2.88Å; L665-Q667 PolarHBondContact O-N 3.33Å; L665-R668 WeakPolarHBondContact O-CB 3.41Å; L665-R668 PolarHBondContact O-N 2.87Å; L665-R668 VanDerWaalsContact O-N 3.14Å; L665-A669 PolarHBondContact O-N 3.1Å
666	H	94.8	Very high	92.8	Very high	27 Å²	27	42.2 Å²	42.2	13%	0.125	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-46.2	177.9	-173.2	75.5	0	0	0	112.1	K662 L663 R668 A669 L670 P689 V691	K662-H666 WeakPolarHBondContact O-CB 3.4Å; K662-H666 PolarHBondContact O-N 3.44Å; L663-H666 PolarHBondContact O-N 2.84Å; H666-R668 VanDerWaalsContact C-N 3.26Å; H666-R668 PolarHBondContact O-N 3.12Å; H666-A669 WeakPolarHBondContact O-CB 3.37Å; H666-A669 PolarHBondContact O-N 2.77Å; H666-A669 VanDerWaalsContact O-N 3.13Å; H666-L670 WeakPolarHBondContact O-CG 3.32Å; H666-L670 PolarHBondContact O-N 3.04Å; H666-P689 PolarHBondContact ND1-O 2.64Å; H666-V691 HydrophobicContact CB-CB 3.97Å; H666-V691 HydrophobicContact CB-CG2 3.77Å; H666-V691 PolarHBondContact ND1-N 2.7Å
667	Q	94.2	Very high	92.6	Very high	34 Å²	34	43.8 Å²	43.8	16%	0.159	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-30.1	174.9	-70.3	179.3	-4.5	0	0	112.8	L663 L665 R671	L663-Q667 HydrophobicContact CD1-CG 3.98Å; L663-Q667 HydrophobicContact CG-CG 4.17Å; L663-Q667 WeakPolarHBondContact O-CB 3.43Å; L663-Q667 VanDerWaalsContact O-CG 3.29Å; L663-Q667 WeakPolarHBondContact O-CG 3.39Å; L663-Q667 PolarHBondContact O-N 3.12Å; L665-Q667 PolarHBondContact O-N 3.33Å; Q667-R671 WeakPolarHBondContact O-CG 3.49Å; Q667-R671 PolarHBondContact O-N 2.99Å; Q667-R671 VanDerWaalsContact O-N 3.08Å; Q667-R671 PolarHBondContact O-NE 2.86Å
668	R	94.8	Very high	92.3	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-68.6	-42.1	172.7	-173.5	-177.5	-56.5	-73.7	-5.7	111	D628 M648 S664 L665 H666 R671 M672	D628-R668 IonicContact OD1-CZ 2.74Å; D628-R668 IonicContact OD1-NE 3.71Å; D628-R668 IonicContact OD1-NH2 3.15Å; D628-R668 PolarHBondContact OD1-NH2 3Å; D628-R668 IonicContact OD2-NH2 3.54Å; D628-R668 PolarHBondContact OD2-NH2 3.32Å; D628-R668 VanDerWaalsContact OD2-NH2 3.08Å; M648-R668 HydrophobicContact SD-CB 3.79Å; M648-R668 HydrophobicContact SD-CG 3.71Å; S664-R668 VanDerWaalsContact O-CB 3.32Å; S664-R668 WeakPolarHBondContact O-CB 3.24Å; S664-R668 PolarHBondContact O-N 2.73Å; L665-R668 WeakPolarHBondContact O-CB 3.41Å; L665-R668 PolarHBondContact O-N 2.87Å; L665-R668 VanDerWaalsContact O-N 3.14Å; H666-R668 VanDerWaalsContact C-N 3.26Å; H666-R668 PolarHBondContact O-N 3.12Å; R668-R671 PolarHBondContact O-N 3.02Å; R668-M672 WeakPolarHBondContact O-CG 3.48Å; R668-M672 PolarHBondContact O-N 3.06Å
669	A	94.6	Very high	92.3	Very high	3 Å²	3	48 Å²	48	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-43.7	174.1	0	0	0	0	0	112.4	M648 L665 H666 M672 K673 L685 L688	M648-A669 HydrophobicContact CE-CB 4.07Å; M648-A669 HydrophobicContact SD-CB 3.93Å; M648-A669 PolarHBondContact SD-N 3.46Å; L665-A669 PolarHBondContact O-N 3.1Å; H666-A669 WeakPolarHBondContact O-CB 3.37Å; H666-A669 PolarHBondContact O-N 2.77Å; H666-A669 VanDerWaalsContact O-N 3.13Å; A669-M672 PolarHBondContact O-N 2.82Å; A669-K673 WeakPolarHBondContact O-CB 3.35Å; A669-K673 PolarHBondContact O-N 3.34Å; A669-L685 HydrophobicContact CB-CD2 3.95Å; A669-L688 HydrophobicContact CB-CD1 3.55Å
670	L	93.1	Very high	92.6	Very high	64 Å²	64	52 Å²	52	34%	0.335	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-52.3	174.1	-67.2	176.1	0	0	0	111.6	H666 M672 K673 D674	H666-L670 WeakPolarHBondContact O-CG 3.32Å; H666-L670 PolarHBondContact O-N 3.04Å; L670-M672 PolarHBondContact O-N 2.96Å; L670-K673 WeakPolarHBondContact O-CB 3.47Å; L670-K673 PolarHBondContact O-N 3.02Å; L670-D674 PolarHBondContact O-N 3.08Å; L670-D674 VanDerWaalsContact O-N 3.07Å; L670-D674 VanDerWaalsContact O-OD2 3.13Å
671	R	93.6	Very high	92.7	Very high	129 Å²	129	52 Å²	52	49%	0.487	26%	0.26	S	S	.	.	H	α-helix	trans	-58	-31.7	176.6	-71.9	-179	-63.2	-105	-0.2	113.2	Q667 R668 S675	Q667-R671 WeakPolarHBondContact O-CG 3.49Å; Q667-R671 PolarHBondContact O-N 2.99Å; Q667-R671 VanDerWaalsContact O-N 3.08Å; Q667-R671 PolarHBondContact O-NE 2.86Å; R668-R671 PolarHBondContact O-N 3.02Å; R671-S675 PolarHBondContact O-N 3.33Å
672	M	94.4	Very high	92.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.8	-49.2	172.3	-74.2	175	65.3	0	0	111.6	H635 P641 A644 I645 M648 R668 A669 L670 D674 S675 C678 L685	H635-M672 HydrophobicContact CB-SD 4.22Å; H635-M672 WeakPolarHBondContact CE1-CG 3.39Å; H635-M672 WeakPolarHBondContact ND1-CG 3.41Å; H635-M672 PolarHBondContact ND1-SD 3.42Å; H635-M672 VanDerWaalsContact ND1-SD 3.41Å; P641-M672 HydrophobicContact CB-CE 3.9Å; A644-M672 HydrophobicContact CB-CE 4.33Å; I645-M672 HydrophobicContact CD1-CE 4.19Å; I645-M672 HydrophobicContact CG1-CE 3.91Å; M648-M672 HydrophobicContact CE-CE 4.21Å; M648-M672 HydrophobicContact CE-SD 3.54Å; M648-M672 VanDerWaalsContact CE-SD 3.54Å; M648-M672 HydrophobicContact SD-SD 4.29Å; R668-M672 WeakPolarHBondContact O-CG 3.48Å; R668-M672 PolarHBondContact O-N 3.06Å; A669-M672 PolarHBondContact O-N 2.82Å; L670-M672 PolarHBondContact O-N 2.96Å; M672-D674 PolarHBondContact O-N 3.14Å; M672-S675 WeakPolarHBondContact O-CB 3.35Å; M672-S675 PolarHBondContact O-N 3.43Å; M672-C678 WeakPolarHBondContact O-CB 3.47Å; M672-L685 HydrophobicContact CB-CD1 3.81Å; M672-L685 HydrophobicContact CB-CD2 4.08Å
673	K	92.3	Very high	92.3	Very high	60 Å²	60	57.8 Å²	57.8	26%	0.261	29%	0.287	S	S	.	.	H	α-helix	trans	-54.8	-39	-178.4	179.4	-155.7	73.5	-169.2	0	111.9	A669 L670 R682 L685	A669-K673 WeakPolarHBondContact O-CB 3.35Å; A669-K673 PolarHBondContact O-N 3.34Å; L670-K673 WeakPolarHBondContact O-CB 3.47Å; L670-K673 PolarHBondContact O-N 3.02Å; K673-R682 HydrophobicContact CG-CG 4.32Å; K673-R682 WeakPolarHBondContact O-CG 3.13Å; K673-R682 PolarHBondContact O-NE 3.33Å; K673-R682 PolarHBondContact O-NH2 3.29Å; K673-L685 HydrophobicContact CB-CB 4.12Å; K673-L685 HydrophobicContact CB-CD1 4.22Å
674	D	90.2	Very high	92.2	Very high	99 Å²	99	61 Å²	61	53%	0.529	30%	0.301	S	S	.	.	H	α-helix	trans	-83.4	-21.2	-177.8	-59.1	-36.1	0	0	0	112.8	L670 M672	L670-D674 PolarHBondContact O-N 3.08Å; L670-D674 VanDerWaalsContact O-N 3.07Å; L670-D674 VanDerWaalsContact O-OD2 3.13Å; M672-D674 PolarHBondContact O-N 3.14Å
675	S	90.5	Very high	92	Very high	34 Å²	34	60.8 Å²	60.8	24%	0.238	30%	0.299	C	S	.	.	S	Bend	trans	-63.9	133.7	177.8	179.7	0	0	0	0	113.5	R671 M672 S677 C678	R671-S675 PolarHBondContact O-N 3.33Å; M672-S675 WeakPolarHBondContact O-CB 3.35Å; M672-S675 PolarHBondContact O-N 3.43Å; S675-S677 PolarHBondContact O-N 2.86Å; S675-S677 PolarHBondContact OG-N 3.06Å; S675-S677 PolarHBondContact OG-OG 3.33Å; S675-C678 PolarHBondContact O-N 3.35Å; S675-C678 VanDerWaalsContact O-N 3.14Å
676	P	88.9	Confident	91.6	Very high	101 Å²	101	70.4 Å²	70.4	66%	0.656	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-57	-30.6	173	-26.3	35.2	0	0	0	114.6	C678 K679	P676-C678 VanDerWaalsContact C-N 3.27Å; P676-C678 PolarHBondContact O-N 3.07Å; P676-K679 WeakPolarHBondContact O-CG 3.4Å
677	S	87.8	Confident	91.4	Very high	90 Å²	90	75.3 Å²	75.3	63%	0.629	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-71.9	-19.7	-179.8	63.2	0	0	0	0	113.8	S675	S675-S677 PolarHBondContact O-N 2.86Å; S675-S677 PolarHBondContact OG-N 3.06Å; S675-S677 PolarHBondContact OG-OG 3.33Å
678	C	88.8	Confident	91.3	Very high	5 Å²	5	74.2 Å²	74.2	3%	0.034	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-111.7	15.3	-172.5	-67.8	0	0	0	0	113	M672 S675 P676 K680 Y681	M672-C678 WeakPolarHBondContact O-CB 3.47Å; S675-C678 PolarHBondContact O-N 3.35Å; S675-C678 VanDerWaalsContact O-N 3.14Å; P676-C678 VanDerWaalsContact C-N 3.27Å; P676-C678 PolarHBondContact O-N 3.07Å; C678-K680 PolarHBondContact O-N 2.54Å; C678-K680 VanDerWaalsContact O-N 3.12Å; C678-Y681 HydrophobicContact CB-CD2 4.1Å; C678-Y681 PolarHBondContact O-N 3.29Å
679	K	89.6	Confident	91	Very high	132 Å²	132	76.5 Å²	76.5	57%	0.574	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-48.4	-40.4	179.6	-76.7	175.2	179.4	-177.6	0	113.6	P676 Y681 R682	P676-K679 WeakPolarHBondContact O-CG 3.4Å; K679-Y681 PolarHBondContact O-N 3.46Å; K679-R682 WeakPolarHBondContact O-CG 3.33Å; K679-R682 PolarHBondContact O-N 2.96Å
680	K	92.6	Very high	90.6	Very high	164 Å²	164	80 Å²	80	71%	0.713	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-65.1	-20.3	178.5	55.2	158.7	163.4	160.1	0	114.8	C678	C678-K680 PolarHBondContact O-N 2.54Å; C678-K680 VanDerWaalsContact O-N 3.12Å
681	Y	92.2	Very high	90.2	Very high	13 Å²	13	78.8 Å²	78.8	5%	0.051	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-97	2.5	-176	-57.9	-62.3	0	0	0	114	P641 D642 I645 C678 K679 L683 Q684 L685	P641-Y681 HydrophobicContact CB-CD2 4.14Å; P641-Y681 HydrophobicContact CB-CE2 3.7Å; P641-Y681 HydrophobicContact CG-CD2 4.3Å; P641-Y681 HydrophobicContact CG-CE2 3.39Å; P641-Y681 WeakPolarHBondContact CG-OH 3.31Å; D642-Y681 VanDerWaalsContact OD1-CE1 3.22Å; D642-Y681 WeakPolarHBondContact OD1-CE1 3.31Å; D642-Y681 WeakPolarHBondContact OD2-CE1 3.02Å; D642-Y681 VanDerWaalsContact OD2-CZ 3.28Å; D642-Y681 PolarHBondContact OD2-OH 2.73Å; I645-Y681 HydrophobicContact CD1-CD1 3.84Å; I645-Y681 HydrophobicContact CD1-CD2 4.42Å; I645-Y681 HydrophobicContact CD1-CG 3.7Å; C678-Y681 HydrophobicContact CB-CD2 4.1Å; C678-Y681 PolarHBondContact O-N 3.29Å; K679-Y681 PolarHBondContact O-N 3.46Å; Y681-L683 PolarHBondContact O-N 2.84Å; Y681-L683 VanDerWaalsContact O-N 3.16Å; Y681-Q684 PolarHBondContact O-N 3.27Å; Y681-L685 WeakPolarHBondContact O-CB 3.39Å; Y681-L685 WeakPolarHBondContact O-CG 3.41Å; Y681-L685 PolarHBondContact O-N 2.73Å
682	R	91.1	Very high	89.8	Confident	107 Å²	107	81 Å²	81	40%	0.404	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.2	-170.9	-77.5	175.7	168.3	-176.1	-7.4	115.3	K673 K679 R686	K673-R682 HydrophobicContact CG-CG 4.32Å; K673-R682 WeakPolarHBondContact O-CG 3.13Å; K673-R682 PolarHBondContact O-NE 3.33Å; K673-R682 PolarHBondContact O-NH2 3.29Å; K679-R682 WeakPolarHBondContact O-CG 3.33Å; K679-R682 PolarHBondContact O-N 2.96Å; R682-R686 WeakPolarHBondContact O-CB 3.2Å; R682-R686 PolarHBondContact O-N 3.01Å
683	L	89.7	Confident	89.6	Confident	122 Å²	122	83.4 Å²	83.4	64%	0.639	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-57.1	173.9	-63.2	176.5	0	0	0	110.5	Y681 L685 R686 E687	Y681-L683 PolarHBondContact O-N 2.84Å; Y681-L683 VanDerWaalsContact O-N 3.16Å; L683-L685 PolarHBondContact O-N 3.39Å; L683-L685 VanDerWaalsContact O-N 3.15Å; L683-R686 WeakPolarHBondContact O-CA 3.36Å; L683-R686 WeakPolarHBondContact O-CB 3.47Å; L683-R686 PolarHBondContact O-N 2.95Å; L683-E687 WeakPolarHBondContact O-CG 3.07Å; L683-E687 PolarHBondContact O-N 2.88Å
684	Q	91.3	Very high	89.5	Confident	71 Å²	71	85.9 Å²	85.9	33%	0.332	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-36.7	175.1	-63.6	175.2	-21.3	0	0	113.2	I645 Y681 R686 E687	I645-Q684 HydrophobicContact CG2-CB 4.18Å; Y681-Q684 PolarHBondContact O-N 3.27Å; Q684-R686 VanDerWaalsContact C-N 3.34Å; Q684-E687 WeakPolarHBondContact CA-OE2 3.3Å; Q684-E687 PolarHBondContact O-N 3.27Å
685	L	91.5	Very high	89.5	Confident	11 Å²	11	87.8 Å²	87.8	6%	0.058	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-16.5	177	-72.4	164.5	0	0	0	114	I645 M648 A669 M672 K673 Y681 L683 L688	I645-L685 HydrophobicContact CD1-CD1 4.38Å; I645-L685 HydrophobicContact CD1-CD2 4.16Å; I645-L685 HydrophobicContact CD1-CG 4.04Å; I645-L685 HydrophobicContact CG1-CD2 3.76Å; I645-L685 HydrophobicContact CG1-CG 4.19Å; M648-L685 HydrophobicContact CE-CD2 3.84Å; A669-L685 HydrophobicContact CB-CD2 3.95Å; M672-L685 HydrophobicContact CB-CD1 3.81Å; M672-L685 HydrophobicContact CB-CD2 4.08Å; K673-L685 HydrophobicContact CB-CB 4.12Å; K673-L685 HydrophobicContact CB-CD1 4.22Å; Y681-L685 WeakPolarHBondContact O-CB 3.39Å; Y681-L685 WeakPolarHBondContact O-CG 3.41Å; Y681-L685 PolarHBondContact O-N 2.73Å; L683-L685 PolarHBondContact O-N 3.39Å; L683-L685 VanDerWaalsContact O-N 3.15Å; L685-L688 HydrophobicContact CD2-CD1 4Å
686	R	88.2	Confident	89.6	Confident	201 Å²	201	86.9 Å²	86.9	76%	0.758	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-25.9	171.4	174.5	-177.6	-80.3	-179	-7	111.8	R682 L683 Q684 L688	R682-R686 WeakPolarHBondContact O-CB 3.2Å; R682-R686 PolarHBondContact O-N 3.01Å; L683-R686 WeakPolarHBondContact O-CA 3.36Å; L683-R686 WeakPolarHBondContact O-CB 3.47Å; L683-R686 PolarHBondContact O-N 2.95Å; Q684-R686 VanDerWaalsContact C-N 3.34Å; R686-L688 VanDerWaalsContact C-N 3.27Å; R686-L688 PolarHBondContact O-N 2.69Å
687	E	90.3	Very high	90	Very high	131 Å²	131	87.4 Å²	87.4	61%	0.612	43%	0.43	S	S	*	.	S	Bend	trans	-75	-12.2	175.5	-68.5	157.7	-164.7	0	0	113.5	L683 Q684	L683-E687 WeakPolarHBondContact O-CG 3.07Å; L683-E687 PolarHBondContact O-N 2.88Å; Q684-E687 WeakPolarHBondContact CA-OE2 3.3Å; Q684-E687 PolarHBondContact O-N 3.27Å
688	L	91	Very high	90.4	Very high	10 Å²	10	87.3 Å²	87.3	5%	0.052	42%	0.42	C	S	.	.	S	Bend	trans	-70.2	144	177	-68.1	176	0	0	0	111.7	M648 R649 L652 A669 L685 R686 A690	M648-L688 HydrophobicContact CB-CD1 4.17Å; M648-L688 HydrophobicContact CE-CD1 4.22Å; R649-L688 HydrophobicContact CB-CD2 3.54Å; R649-L688 HydrophobicContact CG-CD2 4.08Å; L652-L688 HydrophobicContact CD1-CB 4.25Å; A669-L688 HydrophobicContact CB-CD1 3.55Å; L685-L688 HydrophobicContact CD2-CD1 4Å; R686-L688 VanDerWaalsContact C-N 3.27Å; R686-L688 PolarHBondContact O-N 2.69Å; L688-A690 PolarHBondContact O-N 3.29Å
689	P	89.3	Confident	90.8	Very high	59 Å²	59	88.7 Å²	88.7	38%	0.383	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-49.8	131	176.2	-30.2	36.1	0	0	0	113.5	L652 H666	L652-P689 HydrophobicContact CB-CB 4.3Å; L652-P689 HydrophobicContact CB-CG 4.06Å; L652-P689 HydrophobicContact CD1-CB 4.37Å; L652-P689 HydrophobicContact CD1-CG 4.48Å; H666-P689 PolarHBondContact ND1-O 2.64Å
690	A	85.3	Confident	91.1	Very high	76 Å²	76	86.8 Å²	86.8	63%	0.628	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-80.6	132.5	177.2	0	0	0	0	0	111	L688	L688-A690 PolarHBondContact O-N 3.29Å
691	V	85.8	Confident	91.2	Very high	40 Å²	40	79.8 Å²	79.8	24%	0.242	40%	0.397	C	S	.	.			trans	-108.5	104.2	169	-178.4	0	0	0	0	106.9	L652 K662 L663 H666 I693	L652-V691 HydrophobicContact CD2-CG2 4.22Å; K662-V691 HydrophobicContact CB-CG2 4.32Å; L663-V691 HydrophobicContact CB-CG1 4.37Å; L663-V691 HydrophobicContact CD1-CB 4.44Å; L663-V691 HydrophobicContact CD1-CG1 3.97Å; H666-V691 HydrophobicContact CB-CB 3.97Å; H666-V691 HydrophobicContact CB-CG2 3.77Å; H666-V691 PolarHBondContact ND1-N 2.7Å; V691-I693 HydrophobicContact CG1-CG1 4.48Å
692	Q	84.8	Confident	91.2	Very high	176 Å²	176	87.4 Å²	87.4	82%	0.822	43%	0.426	S	S	*	.			trans	-84.5	135.5	176.6	-65.2	-176.8	-1.2	0	0	110
693	I	89.8	Confident	91.2	Very high	50 Å²	50	82.4 Å²	82.4	26%	0.256	41%	0.408	S	S	.	.			trans	-142.9	132.6	174.8	-70.8	-171	0	0	0	105.6	L663 V691 Q911 I912 D915	L663-I693 HydrophobicContact CD1-CD1 3.56Å; L663-I693 HydrophobicContact CD1-CG1 4.36Å; L663-I693 HydrophobicContact CD2-CD1 3.37Å; L663-I693 HydrophobicContact CG-CD1 4.01Å; V691-I693 HydrophobicContact CG1-CG1 4.48Å; I693-Q911 HydrophobicContact CD1-CB 4.4Å; I693-Q911 HydrophobicContact CG2-CB 4.43Å; I693-I912 HydrophobicContact CD1-CG1 3.56Å; I693-D915 HydrophobicContact CG2-CB 3.74Å
694	Q	90.9	Very high	91.1	Very high	111 Å²	111	80.5 Å²	80.5	52%	0.519	40%	0.396	S	S	.	.			trans	-78.8	143.6	175.6	-58.7	-174.5	31.5	0	0	110	D915	Q694-D915 WeakPolarHBondContact CB-OD1 3.26Å; Q694-D915 WeakPolarHBondContact CG-OD1 3.48Å; Q694-D915 PolarHBondContact N-OD1 3.41Å
695	D	89.7	Confident	90.9	Very high	139 Å²	139	80.4 Å²	80.4	74%	0.743	40%	0.397	S	S	*	.			trans	-84.1	141	174.4	-161.1	21.8	0	0	0	109.4
696	V	93.8	Very high	90.5	Very high	15 Å²	15	83.2 Å²	83.2	9%	0.091	41%	0.409	C	S	.	.			trans	-106.4	167.5	-171.9	-66.5	0	0	0	0	112	H698 L914 V924 V926	V696-H698 PolarHBondContact O-CD2 3.48Å; V696-H698 PolarHBondContact O-N 2.94Å; V696-L914 HydrophobicContact CG1-CB 3.97Å; V696-L914 HydrophobicContact CG2-CB 4.23Å; V696-L914 HydrophobicContact CG2-CD1 4.14Å; V696-V924 HydrophobicContact CB-CG2 4.18Å; V696-V924 HydrophobicContact CG1-CG2 3.68Å; V696-V926 HydrophobicContact CG2-CG2 3.64Å
697	K	96	Very high	89.8	Confident	112 Å²	112	78.5 Å²	78.5	49%	0.487	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	124.5	-179.5	-172.4	-179.1	172.6	-152.2	0	110.4	E925 V926	K697-E925 HydrophobicContact CB-CG 4.41Å; K697-E925 HydrophobicContact CD-CG 4.4Å; K697-E925 VanDerWaalsContact CD-OE2 3.24Å; K697-E925 WeakPolarHBondContact CD-OE2 3.4Å; K697-E925 WeakPolarHBondContact CE-OE2 3.48Å; K697-E925 HydrophobicContact CG-CG 4.33Å; K697-E925 IonicContact NZ-OE2 3.56Å; K697-E925 PolarHBondContact NZ-OE2 2.68Å; K697-E925 CarbonylContact O-C 3.56Å; K697-E925 VanDerWaalsContact O-CA 3.31Å; K697-E925 WeakPolarHBondContact O-CA 3.49Å; K697-V926 PolarHBondContact O-N 3.07Å
698	H	97.3	Very high	88.7	Confident	89 Å²	89	77 Å²	77	41%	0.412	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135	173.5	-78.5	-159.4	0	0	0	110.3	V696 V926 H928	V696-H698 PolarHBondContact O-CD2 3.48Å; V696-H698 PolarHBondContact O-N 2.94Å; H698-V926 WeakPolarHBondContact CA-O 3.44Å; H698-H928 AromaticContact CE1-NE2 3.47Å; H698-H928 PolarHBondContact CE1-NE2 3.06Å; H698-H928 AromaticContact CG-NE2 3.59Å; H698-H928 AromaticContact ND1-CD2 3.97Å; H698-H928 AromaticContact ND1-CE1 3.96Å; H698-H928 AromaticContact ND1-NE2 3.13Å; H698-H928 PolarHBondContact ND1-NE2 3.15Å; H698-H928 VanDerWaalsContact ND1-NE2 3.13Å
699	V	96.9	Very high	86.8	Confident	33 Å²	33	85.6 Å²	85.6	20%	0.2	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	165.7	171.1	-59.9	0	0	0	0	110.2	E925 V926 C927 H928	V699-E925 HydrophobicContact CB-CG 4.48Å; V699-E925 VanDerWaalsContact CG1-CD 3.46Å; V699-E925 HydrophobicContact CG1-CG 3.84Å; V699-E925 WeakPolarHBondContact CG1-OE2 3.42Å; V699-E925 HydrophobicContact CG2-CG 3.93Å; V699-V926 PolarHBondContact N-O 3.07Å; V699-C927 HydrophobicContact CG2-CB 4.01Å; V699-H928 PolarHBondContact O-CD2 3.31Å; V699-H928 PolarHBondContact O-N 3.33Å
700	T	96.6	Very high	85.3	Confident	93 Å²	93	86.1 Å²	86.1	57%	0.571	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	123	179.9	-60.9	0	0	0	0	111.3	H928 T930	T700-H928 CarbonylContact C-O 3.57Å; T700-H928 VanDerWaalsContact CA-O 3.28Å; T700-H928 WeakPolarHBondContact CA-O 3.49Å; T700-T930 HydrophobicContact CG2-CG2 3.56Å
701	I	94.7	Very high	83.9	Confident	16 Å²	16	85.8 Å²	85.8	8%	0.082	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	164	175.6	67.4	172.9	0	0	0	111	L740 H744 H928 V929 T930	I701-L740 HydrophobicContact CD1-CD2 4.39Å; I701-L740 HydrophobicContact CD1-CG 4.25Å; I701-H744 HydrophobicContact CD1-CB 4.29Å; I701-H744 HydrophobicContact CG2-CB 4.45Å; I701-H744 VanDerWaalsContact CG2-CD2 3.44Å; I701-H744 WeakPolarHBondContact CG2-CD2 3.42Å; I701-H928 PolarHBondContact N-O 3.39Å; I701-V929 HydrophobicContact CD1-CG2 3.89Å; I701-V929 HydrophobicContact CG1-CB 4.33Å; I701-V929 HydrophobicContact CG1-CG1 4.36Å; I701-V929 HydrophobicContact CG1-CG2 3.78Å; I701-T930 PolarHBondContact O-N 3.27Å; I701-T930 PolarHBondContact O-OG1 3.45Å
702	R	92.3	Very high	82.2	Confident	173 Å²	173	91.6 Å²	91.6	65%	0.653	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.8	177.7	-70	-178.7	178.9	-170.4	1.6	109.5	T930 T932 E940	R702-T930 WeakPolarHBondContact CA-O 3.16Å; R702-T932 HydrophobicContact CB-CG2 3.95Å; R702-T932 HydrophobicContact CG-CG2 4.17Å; R702-E940 IonicContact NH1-OE1 3.42Å; R702-E940 PolarHBondContact NH1-OE1 3.22Å
703	G	89.4	Confident	81.2	Confident	2 Å²	2	86.2 Å²	86.2	2%	0.021	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	133.4	175.2	0	0	0	0	0	111.5	L705 T930 A931 T932	G703-L705 PolarHBondContact O-N 3.4Å; G703-T930 PolarHBondContact N-O 3.12Å; G703-A931 WeakPolarHBondContact O-CA 3.26Å; G703-T932 PolarHBondContact O-N 3.25Å; G703-T932 PolarHBondContact O-OG1 2.9Å
704	Q	88.8	Confident	80.5	Confident	83 Å²	83	91.5 Å²	91.5	39%	0.388	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	114.8	174.8	-179.1	174.6	-16.8	0	0	109.7	F717 L718 T932	Q704-F717 CarbonylContact O-C 3.42Å; Q704-F717 VanDerWaalsContact O-CA 3.3Å; Q704-F717 WeakPolarHBondContact O-CA 3.43Å; Q704-L718 HydrophobicContact CB-CB 4.33Å; Q704-L718 HydrophobicContact CG-CB 4.45Å; Q704-L718 HydrophobicContact CG-CD1 4.18Å; Q704-L718 PolarHBondContact O-N 3.08Å; Q704-T932 WeakPolarHBondContact CA-OG1 3.35Å; Q704-T932 PolarHBondContact N-OG1 2.56Å
705	L	86.8	Confident	80.1	Confident	69 Å²	69	88.8 Å²	88.8	36%	0.361	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.5	-174.3	-173.4	74.3	0	0	0	111.3	G703 P707 F717 A931 T932	G703-L705 PolarHBondContact O-N 3.4Å; L705-P707 WeakPolarHBondContact O-CD 3.42Å; L705-F717 HydrophobicContact CB-CE1 4.37Å; L705-F717 HydrophobicContact CD1-CD1 4.37Å; L705-F717 HydrophobicContact CD1-CE1 3.88Å; L705-F717 HydrophobicContact CD1-CZ 4Å; L705-A931 HydrophobicContact CB-CB 4.03Å; L705-A931 HydrophobicContact CD2-CB 4.29Å; L705-T932 PolarHBondContact N-O 3.29Å
706	F	82.8	Confident	80.1	Confident	70 Å²	70	86.5 Å²	86.5	31%	0.307	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-80	118.3	171.9	-175	-100.9	0	0	0	110.3	H708 R716 L718 I734	F706-H708 PolarHBondContact O-N 3.47Å; F706-R716 HydrophobicContact CB-CB 4.33Å; F706-R716 WeakPolarHBondContact CB-O 3.35Å; F706-R716 PolarHBondContact N-O 2.97Å; F706-L718 HydrophobicContact CB-CG 4.39Å; F706-L718 HydrophobicContact CD2-CD1 4.42Å; F706-L718 HydrophobicContact CD2-CD2 3.9Å; F706-L718 HydrophobicContact CD2-CG 4.22Å; F706-I734 HydrophobicContact CB-CG2 4.27Å; F706-I734 HydrophobicContact CD1-CD1 4.44Å; F706-I734 HydrophobicContact CD1-CG2 4.13Å; F706-I734 HydrophobicContact CD2-CD1 4.02Å; F706-I734 HydrophobicContact CD2-CG1 4.19Å; F706-I734 HydrophobicContact CE1-CD1 4.1Å; F706-I734 HydrophobicContact CE2-CD1 3.62Å; F706-I734 HydrophobicContact CE2-CG1 4.25Å; F706-I734 HydrophobicContact CG-CD1 4.4Å; F706-I734 HydrophobicContact CG-CG2 4.04Å; F706-I734 HydrophobicContact CZ-CD1 3.67Å
707	P	74.6	Confident	79.9	Confident	102 Å²	102	85.8 Å²	85.8	66%	0.662	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-73.4	123.3	-175.7	29.2	-33.8	0	0	0	111.6	L705	L705-P707 WeakPolarHBondContact O-CD 3.42Å
708	H	65.6	Low	79.5	Confident	99 Å²	99	82.1 Å²	82.1	46%	0.458	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-96.6	125.5	175.2	-129.2	69.9	0	0	0	110.8	F706 G710 G711	F706-H708 PolarHBondContact O-N 3.47Å; H708-G710 PolarHBondContact O-N 3.25Å; H708-G711 PolarHBondContact O-N 2.73Å
709	E	52.3	Low	78.9	Confident	191 Å²	191	80.1 Å²	80.1	89%	0.893	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	134.3	171.4	-66.3	-166.7	148.5	0	0	110.4	G711	E709-G711 VanDerWaalsContact C-N 3.34Å; E709-G711 PolarHBondContact O-N 2.8Å
710	G	57.1	Low	78	Confident	70 Å²	70	82.7 Å²	82.7	72%	0.722	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	84	-8.8	-179.5	0	0	0	0	0	116.5	H708 M712	H708-G710 PolarHBondContact O-N 3.25Å; G710-M712 VanDerWaalsContact C-N 3.26Å; G710-M712 PolarHBondContact O-N 2.78Å; G710-M712 VanDerWaalsContact O-N 3.1Å
711	G	55.7	Low	76.8	Confident	68 Å²	68	82.9 Å²	82.9	70%	0.701	46%	0.455	S	S	*	.	S	Bend	trans	65.7	12.4	165.3	0	0	0	0	0	117.5	H708 E709	H708-G711 PolarHBondContact O-N 2.73Å; E709-G711 VanDerWaalsContact C-N 3.34Å; E709-G711 PolarHBondContact O-N 2.8Å
712	M	50.2	Low	75	Confident	163 Å²	163	87.9 Å²	87.9	80%	0.803	49%	0.487	S	S	*	.			trans	-119.8	99.3	177.6	-61	-176.5	-156.4	0	0	110.7	G710	G710-M712 VanDerWaalsContact C-N 3.26Å; G710-M712 PolarHBondContact O-N 2.78Å; G710-M712 VanDerWaalsContact O-N 3.1Å
713	G	63.1	Low	72.8	Confident	63 Å²	63	85.1 Å²	85.1	65%	0.649	48%	0.481	S	S	*	.	S	Bend	trans	179.4	171.1	177.3	0	0	0	0	0	112.3
714	K	76.8	Confident	70.9	Confident	160 Å²	160	95 Å²	95	70%	0.696	53%	0.527	S	S	*	.			trans	-60.5	140.4	166	-86.5	-161	168.9	-159.4	0	108.8	R716 E738	K714-R716 PolarHBondContact O-N 2.73Å; K714-E738 IonicContact NZ-OE1 3.24Å; K714-E738 PolarHBondContact NZ-OE1 3.49Å; K714-E738 VanDerWaalsContact NZ-OE1 3.16Å
715	S	82.8	Confident	68.7	Low	54 Å²	54	93.3 Å²	93.3	38%	0.378	53%	0.532	S	S	.	.			trans	-59.6	135.2	170.6	-58.2	0	0	0	0	110.3
716	R	87.9	Confident	66.6	Low	91 Å²	91	98 Å²	98	34%	0.343	56%	0.557	S	S	.	*			trans	-123.2	150	172.9	-61.7	-165.3	75.2	166.8	3.1	109.5	F706 K714 I734 C735	F706-R716 HydrophobicContact CB-CB 4.33Å; F706-R716 WeakPolarHBondContact CB-O 3.35Å; F706-R716 PolarHBondContact N-O 2.97Å; K714-R716 PolarHBondContact O-N 2.73Å; R716-I734 HydrophobicContact CB-CG2 3.91Å; R716-I734 PolarHBondContact NH2-O 3.16Å; R716-C735 WeakPolarHBondContact CA-O 3.34Å; R716-C735 WeakPolarHBondContact CB-O 3.44Å
717	F	89.8	Confident	65.1	Low	0 Å²	0	98.3 Å²	98.3	0%	0	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.9	161.2	-173.9	-67.4	-84.5	0	0	0	110.9	Q704 L705 I734 C735 V737 L740 P902 V929 A931	Q704-F717 CarbonylContact O-C 3.42Å; Q704-F717 VanDerWaalsContact O-CA 3.3Å; Q704-F717 WeakPolarHBondContact O-CA 3.43Å; L705-F717 HydrophobicContact CB-CE1 4.37Å; L705-F717 HydrophobicContact CD1-CD1 4.37Å; L705-F717 HydrophobicContact CD1-CE1 3.88Å; L705-F717 HydrophobicContact CD1-CZ 4Å; F717-I734 CarbonylContact O-C 3.54Å; F717-I734 WeakPolarHBondContact O-CA 3.4Å; F717-C735 PolarHBondContact N-O 2.84Å; F717-C735 PolarHBondContact O-N 2.69Å; F717-C735 PolarHBondContact O-SG 2.69Å; F717-C735 VanDerWaalsContact O-SG 3.34Å; F717-V737 HydrophobicContact CD2-CB 4.18Å; F717-V737 HydrophobicContact CD2-CG2 4.4Å; F717-V737 HydrophobicContact CE2-CB 3.8Å; F717-V737 HydrophobicContact CE2-CG2 3.76Å; F717-V737 HydrophobicContact CZ-CG2 4.48Å; F717-L740 HydrophobicContact CB-CD2 4.09Å; F717-L740 HydrophobicContact CD1-CD2 4.15Å; F717-L740 HydrophobicContact CD2-CD2 4.33Å; F717-L740 HydrophobicContact CG-CD2 3.92Å; F717-P902 HydrophobicContact CZ-CG 4.11Å; F717-V929 HydrophobicContact CE1-CG1 3.93Å; F717-V929 HydrophobicContact CE2-CG1 4.11Å; F717-V929 HydrophobicContact CZ-CG1 3.68Å; F717-A931 HydrophobicContact CE1-CB 4.43Å
718	L	87.9	Confident	63.8	Low	36 Å²	36	97.9 Å²	97.9	19%	0.188	58%	0.58	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.9	124.4	172	-70.5	171.7	0	0	0	108.9	Q704 F706 T732 I734	Q704-L718 HydrophobicContact CB-CB 4.33Å; Q704-L718 HydrophobicContact CG-CB 4.45Å; Q704-L718 HydrophobicContact CG-CD1 4.18Å; Q704-L718 PolarHBondContact O-N 3.08Å; F706-L718 HydrophobicContact CB-CG 4.39Å; F706-L718 HydrophobicContact CD2-CD1 4.42Å; F706-L718 HydrophobicContact CD2-CD2 3.9Å; F706-L718 HydrophobicContact CD2-CG 4.22Å; L718-T732 HydrophobicContact CB-CG2 3.78Å; L718-T732 HydrophobicContact CD2-CG2 3.82Å; L718-T732 HydrophobicContact CG-CG2 4.28Å; L718-I734 HydrophobicContact CD2-CG1 3.9Å
719	L	85.1	Confident	62.9	Low	47 Å²	47	97.2 Å²	97.2	25%	0.246	59%	0.592	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.3	120.4	174.4	-177.9	67.1	0	0	0	108.4	T732 V733 C735 L740 A743	L719-T732 CarbonylContact O-C 3.5Å; L719-T732 WeakPolarHBondContact O-CA 3.45Å; L719-V733 PolarHBondContact N-O 3.27Å; L719-V733 PolarHBondContact O-N 2.87Å; L719-C735 HydrophobicContact CB-CB 4.44Å; L719-L740 HydrophobicContact CD1-CD1 4.15Å; L719-A743 HydrophobicContact CD1-CB 3.8Å; L719-A743 HydrophobicContact CD2-CB 3.93Å
720	P	78.9	Confident	63.2	Low	87 Å²	87	97 Å²	97	57%	0.565	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.4	133.3	169.7	-18.4	31.9	0	0	0	109.8	T722	P720-T722 PolarHBondContact O-N 3.21Å
721	E	69.4	Low	63.9	Low	96 Å²	96	96.3 Å²	96.3	45%	0.449	57%	0.574	S	S	.	*			trans	-80.9	111.6	176.6	-161	144.5	-138	0	0	108.9	E723 S731	E721-E723 PolarHBondContact O-N 2.84Å; E721-S731 WeakPolarHBondContact CB-O 3.47Å; E721-S731 PolarHBondContact N-O 3.43Å; E721-S731 WeakPolarHBondContact OE2-CB 3.09Å; E721-S731 PolarHBondContact OE2-OG 2.71Å
722	T	57.1	Low	65.1	Low	122 Å²	122	96.5 Å²	96.5	75%	0.748	56%	0.562	S	S	*	*			trans	-91.4	92.1	175.6	43.8	0	0	0	0	109.7	P720	P720-T722 PolarHBondContact O-N 3.21Å
723	E	47.4	Very low	66.9	Low	114 Å²	114	91.6 Å²	91.6	53%	0.533	54%	0.541	S	S	.	.			trans	-74.6	120.6	173.7	-65.2	-174.1	131	0	0	111.4	E721 G725	E721-E723 PolarHBondContact O-N 2.84Å; E723-G725 PolarHBondContact O-N 2.92Å
724	E	49.4	Very low	68.1	Low	211 Å²	211	91.4 Å²	91.4	99%	0.986	53%	0.525	S	S	*	.	S	Bend	trans	-78.9	58.4	157.3	-65.3	-170.8	149.4	0	0	109.4
725	G	42.8	Very low	68.7	Low	47 Å²	47	83.9 Å²	83.9	49%	0.485	49%	0.492	S	S	.	.	S	Bend	trans	-176.9	76.5	-170	0	0	0	0	0	116.4	E723	E723-G725 PolarHBondContact O-N 2.92Å
726	D	43	Very low	69.2	Low	166 Å²	166	82.4 Å²	82.4	89%	0.888	48%	0.482	S	S	*	.	S	Bend	trans	36.5	82.3	158.2	-156.3	19.6	0	0	0	119.7	S728	D726-S728 PolarHBondContact O-N 2.89Å
727	G	50.9	Low	69.4	Low	78 Å²	78	78.9 Å²	78.9	80%	0.804	47%	0.471	S	S	*	.				88.8	8.8	129.7	0	0	0	0	0	119.9
728	S	46.2	Very low	69.7	Low	92 Å²	92	79.7 Å²	79.7	64%	0.643	47%	0.474	S	S	*	.			trans	-114.8	70.6	-172	-175.6	0	0	0	0	116.3	D726	D726-S728 PolarHBondContact O-N 2.89Å
729	A	47.8	Very low	70	Confident	85 Å²	85	82.3 Å²	82.3	70%	0.702	49%	0.486	S	S	*	.			trans	67.2	135.8	168	0	0	0	0	0	117.3	S731	A729-S731 VanDerWaalsContact C-N 3.33Å; A729-S731 PolarHBondContact O-N 3.13Å
730	H	57.6	Low	70.4	Confident	186 Å²	186	80.9 Å²	80.9	86%	0.861	48%	0.478	S	S	*	.			trans	-68.6	82.9	179.1	-59.8	-55.4	0	0	0	112.9
731	S	71.6	Confident	71.2	Confident	56 Å²	56	76.7 Å²	76.7	39%	0.392	45%	0.451	S	S	.	.			trans	-58.3	145.6	165.1	178.6	0	0	0	0	110.5	E721 A729	E721-S731 WeakPolarHBondContact CB-O 3.47Å; E721-S731 PolarHBondContact N-O 3.43Å; E721-S731 WeakPolarHBondContact OE2-CB 3.09Å; E721-S731 PolarHBondContact OE2-OG 2.71Å; A729-S731 VanDerWaalsContact C-N 3.33Å; A729-S731 PolarHBondContact O-N 3.13Å
732	T	81.7	Confident	72.5	Confident	72 Å²	72	72.8 Å²	72.8	44%	0.442	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	110.3	179.9	-52.5	0	0	0	0	108.9	L718 L719	L718-T732 HydrophobicContact CB-CG2 3.78Å; L718-T732 HydrophobicContact CD2-CG2 3.82Å; L718-T732 HydrophobicContact CG-CG2 4.28Å; L719-T732 CarbonylContact O-C 3.5Å; L719-T732 WeakPolarHBondContact O-CA 3.45Å
733	V	87.5	Confident	74.3	Confident	61 Å²	61	67.6 Å²	67.6	37%	0.37	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	136	-172.7	-176.4	0	0	0	0	110.2	L719 C735	L719-V733 PolarHBondContact N-O 3.27Å; L719-V733 PolarHBondContact O-N 2.87Å; V733-C735 PolarHBondContact O-N 3.04Å
734	I	88.3	Confident	76.6	Confident	58 Å²	58	64.7 Å²	64.7	30%	0.297	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	95.9	175.2	-54.4	173.1	0	0	0	108.7	F706 R716 F717 L718	F706-I734 HydrophobicContact CB-CG2 4.27Å; F706-I734 HydrophobicContact CD1-CD1 4.44Å; F706-I734 HydrophobicContact CD1-CG2 4.13Å; F706-I734 HydrophobicContact CD2-CD1 4.02Å; F706-I734 HydrophobicContact CD2-CG1 4.19Å; F706-I734 HydrophobicContact CE1-CD1 4.1Å; F706-I734 HydrophobicContact CE2-CD1 3.62Å; F706-I734 HydrophobicContact CE2-CG1 4.25Å; F706-I734 HydrophobicContact CG-CD1 4.4Å; F706-I734 HydrophobicContact CG-CG2 4.04Å; F706-I734 HydrophobicContact CZ-CD1 3.67Å; R716-I734 HydrophobicContact CB-CG2 3.91Å; R716-I734 PolarHBondContact NH2-O 3.16Å; F717-I734 CarbonylContact O-C 3.54Å; F717-I734 WeakPolarHBondContact O-CA 3.4Å; L718-I734 HydrophobicContact CD2-CG1 3.9Å
735	C	89.8	Confident	78.8	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.02	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	173.4	-175.5	60.3	0	0	0	0	113.5	R716 F717 L719 V733 E739	R716-C735 WeakPolarHBondContact CA-O 3.34Å; R716-C735 WeakPolarHBondContact CB-O 3.44Å; F717-C735 PolarHBondContact N-O 2.84Å; F717-C735 PolarHBondContact O-N 2.69Å; F717-C735 PolarHBondContact O-SG 2.69Å; F717-C735 VanDerWaalsContact O-SG 3.34Å; L719-C735 HydrophobicContact CB-CB 4.44Å; V733-C735 PolarHBondContact O-N 3.04Å; C735-E739 WeakPolarHBondContact CA-OE2 3.39Å; C735-E739 HydrophobicContact CB-CB 3.88Å; C735-E739 VanDerWaalsContact CB-OE2 3.31Å; C735-E739 WeakPolarHBondContact CB-OE2 3.37Å
736	S	92.6	Very high	81.4	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.161	34%	0.343	C	S	.	.			trans	-84.3	179.4	167.6	90.3	0	0	0	0	111.6	E738 E739 L740	S736-E738 WeakPolarHBondContact CB-OE2 3.48Å; S736-E738 PolarHBondContact OG-N 3.19Å; S736-E738 PolarHBondContact OG-OE2 2.97Å; S736-E739 PolarHBondContact N-OE2 3.08Å; S736-E739 WeakPolarHBondContact OG-CG 3.33Å; S736-E739 PolarHBondContact OG-N 3.42Å; S736-L740 PolarHBondContact O-N 3.29Å
737	V	92.6	Very high	83.8	Confident	17 Å²	17	58 Å²	58	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-76.3	-31.5	176.9	69.3	0	0	0	0	111.6	F717 S741 V899 V929	F717-V737 HydrophobicContact CD2-CB 4.18Å; F717-V737 HydrophobicContact CD2-CG2 4.4Å; F717-V737 HydrophobicContact CE2-CB 3.8Å; F717-V737 HydrophobicContact CE2-CG2 3.76Å; F717-V737 HydrophobicContact CZ-CG2 4.48Å; V737-S741 PolarHBondContact O-N 3.41Å; V737-S741 PolarHBondContact O-OG 3.37Å; V737-S741 VanDerWaalsContact O-OG 3.07Å; V737-V899 HydrophobicContact CB-CG1 4.45Å; V737-V899 HydrophobicContact CG1-CG1 4.09Å; V737-V899 HydrophobicContact CG2-CG1 3.88Å; V737-V929 HydrophobicContact CG2-CB 3.57Å; V737-V929 HydrophobicContact CG2-CG1 3.97Å; V737-V929 HydrophobicContact CG2-CG2 3.36Å
738	E	95.3	Very high	85.9	Confident	17 Å²	17	59 Å²	59	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-75.7	-40.4	-179.9	-45.9	89.3	160.5	0	0	110.5	K714 S736 S741 L742 L884	K714-E738 IonicContact NZ-OE1 3.24Å; K714-E738 PolarHBondContact NZ-OE1 3.49Å; K714-E738 VanDerWaalsContact NZ-OE1 3.16Å; S736-E738 WeakPolarHBondContact CB-OE2 3.48Å; S736-E738 PolarHBondContact OG-N 3.19Å; S736-E738 PolarHBondContact OG-OE2 2.97Å; E738-S741 WeakPolarHBondContact O-CB 2.75Å; E738-S741 PolarHBondContact O-N 2.9Å; E738-L742 PolarHBondContact O-N 2.78Å; E738-L884 HydrophobicContact CB-CD2 4.25Å
739	E	94.3	Very high	88.3	Confident	91 Å²	91	56.4 Å²	56.4	43%	0.425	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-41.4	172.7	-73.1	168.3	173	0	0	113	C735 S736 S741 L742 A743	C735-E739 WeakPolarHBondContact CA-OE2 3.39Å; C735-E739 HydrophobicContact CB-CB 3.88Å; C735-E739 VanDerWaalsContact CB-OE2 3.31Å; C735-E739 WeakPolarHBondContact CB-OE2 3.37Å; S736-E739 PolarHBondContact N-OE2 3.08Å; S736-E739 WeakPolarHBondContact OG-CG 3.33Å; S736-E739 PolarHBondContact OG-N 3.42Å; E739-S741 VanDerWaalsContact C-N 3.33Å; E739-L742 PolarHBondContact O-N 3Å; E739-A743 PolarHBondContact O-N 3.16Å
740	L	94.4	Very high	90.6	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.084	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-42.5	173.3	177.2	69.9	0	0	0	111.4	I701 F717 L719 S736 A743 H744 V929	I701-L740 HydrophobicContact CD1-CD2 4.39Å; I701-L740 HydrophobicContact CD1-CG 4.25Å; F717-L740 HydrophobicContact CB-CD2 4.09Å; F717-L740 HydrophobicContact CD1-CD2 4.15Å; F717-L740 HydrophobicContact CD2-CD2 4.33Å; F717-L740 HydrophobicContact CG-CD2 3.92Å; L719-L740 HydrophobicContact CD1-CD1 4.15Å; S736-L740 PolarHBondContact O-N 3.29Å; L740-A743 PolarHBondContact O-N 2.81Å; L740-H744 PolarHBondContact O-N 3.37Å; L740-H744 VanDerWaalsContact O-N 3.13Å; L740-V929 HydrophobicContact CD2-CG1 3.66Å
741	S	96.1	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-43.2	176	-66.2	0	0	0	0	111.7	V737 E738 E739 A743 H744 Y745 V899	V737-S741 PolarHBondContact O-N 3.41Å; V737-S741 PolarHBondContact O-OG 3.37Å; V737-S741 VanDerWaalsContact O-OG 3.07Å; E738-S741 WeakPolarHBondContact O-CB 2.75Å; E738-S741 PolarHBondContact O-N 2.9Å; E739-S741 VanDerWaalsContact C-N 3.33Å; S741-A743 VanDerWaalsContact C-N 3.32Å; S741-A743 PolarHBondContact O-N 2.79Å; S741-H744 WeakPolarHBondContact O-CB 3.35Å; S741-H744 PolarHBondContact O-N 3.04Å; S741-H744 VanDerWaalsContact O-N 3.11Å; S741-Y745 WeakPolarHBondContact O-CD2 3.35Å; S741-Y745 PolarHBondContact O-N 3.5Å; S741-V899 WeakPolarHBondContact OG-CG1 3.39Å
742	L	96.4	Very high	93.6	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-41.5	173.4	-76.3	171.6	0	0	0	112.5	E738 E739 H744 Y745 R746 H755 L884 V886	E738-L742 PolarHBondContact O-N 2.78Å; E739-L742 PolarHBondContact O-N 3Å; L742-H744 VanDerWaalsContact C-N 3.31Å; L742-H744 PolarHBondContact O-N 3.3Å; L742-Y745 PolarHBondContact O-N 2.88Å; L742-R746 WeakPolarHBondContact O-CG 3.36Å; L742-R746 PolarHBondContact O-N 2.98Å; L742-R746 VanDerWaalsContact O-N 3.08Å; L742-H755 HydrophobicContact CD1-CB 4.01Å; L742-L884 HydrophobicContact CD1-CD2 4.14Å; L742-L884 HydrophobicContact CD2-CD1 4.05Å; L742-L884 HydrophobicContact CD2-CD2 4.04Å; L742-L884 HydrophobicContact CD2-CG 4.48Å; L742-L884 HydrophobicContact CG-CD1 3.99Å; L742-L884 HydrophobicContact CG-CD2 3.85Å; L742-V886 HydrophobicContact CD2-CG1 3.74Å
743	A	94.6	Very high	94.4	Very high	13 Å²	13	44.8 Å²	44.8	11%	0.107	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-37.1	175.4	0	0	0	0	0	112.5	L719 E739 L740 S741 Q747	L719-A743 HydrophobicContact CD1-CB 3.8Å; L719-A743 HydrophobicContact CD2-CB 3.93Å; E739-A743 PolarHBondContact O-N 3.16Å; L740-A743 PolarHBondContact O-N 2.81Å; S741-A743 VanDerWaalsContact C-N 3.32Å; S741-A743 PolarHBondContact O-N 2.79Å; A743-Q747 WeakPolarHBondContact O-CG 3.47Å; A743-Q747 PolarHBondContact O-N 3Å
744	H	95.4	Very high	94.9	Very high	52 Å²	52	42.4 Å²	42.4	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-65.5	-44.7	173.5	177.1	60.4	0	0	0	112.8	I701 L740 S741 L742 R746 Q747 L748	I701-H744 HydrophobicContact CD1-CB 4.29Å; I701-H744 HydrophobicContact CG2-CB 4.45Å; I701-H744 VanDerWaalsContact CG2-CD2 3.44Å; I701-H744 WeakPolarHBondContact CG2-CD2 3.42Å; L740-H744 PolarHBondContact O-N 3.37Å; L740-H744 VanDerWaalsContact O-N 3.13Å; S741-H744 WeakPolarHBondContact O-CB 3.35Å; S741-H744 PolarHBondContact O-N 3.04Å; S741-H744 VanDerWaalsContact O-N 3.11Å; L742-H744 VanDerWaalsContact C-N 3.31Å; L742-H744 PolarHBondContact O-N 3.3Å; H744-R746 VanDerWaalsContact C-N 3.32Å; H744-R746 PolarHBondContact O-N 2.96Å; H744-Q747 WeakPolarHBondContact O-CB 3.42Å; H744-Q747 PolarHBondContact O-N 2.81Å; H744-Q747 VanDerWaalsContact O-N 3.1Å; H744-L748 PolarHBondContact O-N 3.38Å; H744-L748 VanDerWaalsContact O-N 3.15Å
745	Y	97	Very high	95.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-67	-30.8	179.1	-71	-70.4	0	0	0	113	S741 L742 Q747 L748 G749 F750 V886 K895 V897 E925 C927	S741-Y745 WeakPolarHBondContact O-CD2 3.35Å; S741-Y745 PolarHBondContact O-N 3.5Å; L742-Y745 PolarHBondContact O-N 2.88Å; Y745-Q747 VanDerWaalsContact C-N 3.33Å; Y745-Q747 PolarHBondContact O-N 3.41Å; Y745-L748 HydrophobicContact CD1-CD1 3.99Å; Y745-L748 HydrophobicContact CE1-CD1 4.15Å; Y745-L748 CarbonylContact O-C 3.52Å; Y745-L748 WeakPolarHBondContact O-CA 3.45Å; Y745-L748 PolarHBondContact O-N 2.86Å; Y745-G749 PolarHBondContact O-N 2.98Å; Y745-F750 AromaticContact CD1-CD2 3.97Å; Y745-F750 HydrophobicContact CD1-CD2 3.97Å; Y745-F750 HydrophobicContact CD1-CE2 4.05Å; Y745-F750 HydrophobicContact CG-CD2 4.44Å; Y745-F750 WeakPolarHBondContact O-CD2 3.37Å; Y745-F750 PolarHBondContact O-N 3.05Å; Y745-V886 HydrophobicContact CD1-CG2 4.25Å; Y745-V886 HydrophobicContact CD2-CG1 4.4Å; Y745-V886 HydrophobicContact CG-CG1 4.32Å; Y745-V886 HydrophobicContact CG-CG2 4.09Å; Y745-K895 HydrophobicContact CE1-CD 4.04Å; Y745-V897 HydrophobicContact CD2-CG2 4.46Å; Y745-V897 HydrophobicContact CE1-CG2 4.18Å; Y745-V897 HydrophobicContact CE2-CB 4.27Å; Y745-V897 HydrophobicContact CE2-CG1 3.81Å; Y745-V897 HydrophobicContact CE2-CG2 3.9Å; Y745-E925 WeakPolarHBondContact CE1-OE1 3.39Å; Y745-E925 PolarHBondContact OH-OE1 3.37Å; Y745-C927 HydrophobicContact CE2-CB 4.43Å; Y745-C927 WeakPolarHBondContact OH-CB 3.42Å
746	R	95.7	Very high	95.3	Very high	134 Å²	134	42.6 Å²	42.6	51%	0.506	22%	0.219	S	C	.	.	H	α-helix	trans	-60	-41.7	168.8	-70.1	177.3	-169.3	124.9	3.9	112.5	L742 H744 L748 G749 F750	L742-R746 WeakPolarHBondContact O-CG 3.36Å; L742-R746 PolarHBondContact O-N 2.98Å; L742-R746 VanDerWaalsContact O-N 3.08Å; H744-R746 VanDerWaalsContact C-N 3.32Å; H744-R746 PolarHBondContact O-N 2.96Å; R746-L748 PolarHBondContact O-N 3.4Å; R746-G749 PolarHBondContact O-N 3.13Å; R746-F750 WeakPolarHBondContact CA-O 3.34Å; R746-F750 WeakPolarHBondContact CG-O 3.43Å
747	Q	94.4	Very high	95.3	Very high	149 Å²	149	46.7 Å²	46.7	70%	0.696	24%	0.236	S	C	*	.	H	α-helix	trans	-66.6	-21	174.4	-66.1	172	-6.8	0	0	113.3	A743 H744 Y745 G749	A743-Q747 WeakPolarHBondContact O-CG 3.47Å; A743-Q747 PolarHBondContact O-N 3Å; H744-Q747 WeakPolarHBondContact O-CB 3.42Å; H744-Q747 PolarHBondContact O-N 2.81Å; H744-Q747 VanDerWaalsContact O-N 3.1Å; Y745-Q747 VanDerWaalsContact C-N 3.33Å; Y745-Q747 PolarHBondContact O-N 3.41Å; Q747-G749 VanDerWaalsContact C-N 3.31Å
748	L	95.1	Very high	95.3	Very high	99 Å²	99	46.2 Å²	46.2	52%	0.518	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.4	170.5	-62.4	-178.5	0	0	0	113.5	H744 Y745 R746 F750	H744-L748 PolarHBondContact O-N 3.38Å; H744-L748 VanDerWaalsContact O-N 3.15Å; Y745-L748 HydrophobicContact CD1-CD1 3.99Å; Y745-L748 HydrophobicContact CE1-CD1 4.15Å; Y745-L748 CarbonylContact O-C 3.52Å; Y745-L748 WeakPolarHBondContact O-CA 3.45Å; Y745-L748 PolarHBondContact O-N 2.86Å; R746-L748 PolarHBondContact O-N 3.4Å; L748-F750 HydrophobicContact CB-CD2 4.22Å; L748-F750 HydrophobicContact CB-CE2 4.35Å
749	G	95.2	Very high	95.2	Very high	37 Å²	37	47 Å²	47	38%	0.381	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	10.1	176.4	0	0	0	0	0	115.7	Y745 R746 Q747 D751 N888	Y745-G749 PolarHBondContact O-N 2.98Å; R746-G749 PolarHBondContact O-N 3.13Å; Q747-G749 VanDerWaalsContact C-N 3.31Å; G749-D751 PolarHBondContact O-N 3.35Å; G749-N888 PolarHBondContact O-ND2 3.23Å
750	F	97.2	Very high	95.3	Very high	23 Å²	23	42.7 Å²	42.7	10%	0.101	22%	0.222	C	C	.	.			trans	-84.1	96.5	169.6	-62.2	-82.8	0	0	0	109.4	Y745 R746 L748 Q752 V886 W887 K895	Y745-F750 AromaticContact CD1-CD2 3.97Å; Y745-F750 HydrophobicContact CD1-CD2 3.97Å; Y745-F750 HydrophobicContact CD1-CE2 4.05Å; Y745-F750 HydrophobicContact CG-CD2 4.44Å; Y745-F750 WeakPolarHBondContact O-CD2 3.37Å; Y745-F750 PolarHBondContact O-N 3.05Å; R746-F750 WeakPolarHBondContact CA-O 3.34Å; R746-F750 WeakPolarHBondContact CG-O 3.43Å; L748-F750 HydrophobicContact CB-CD2 4.22Å; L748-F750 HydrophobicContact CB-CE2 4.35Å; F750-Q752 VanDerWaalsContact C-N 3.3Å; F750-Q752 PolarHBondContact O-N 2.94Å; F750-V886 HydrophobicContact CB-CB 4Å; F750-V886 HydrophobicContact CB-CG2 4.27Å; F750-V886 HydrophobicContact CD1-CB 4.36Å; F750-V886 HydrophobicContact CD1-CG2 3.98Å; F750-V886 HydrophobicContact CD2-CG2 4.17Å; F750-V886 HydrophobicContact CE1-CG2 4.34Å; F750-V886 HydrophobicContact CG-CB 4.16Å; F750-V886 HydrophobicContact CG-CG2 3.88Å; F750-W887 CarbonylContact C-O 3.59Å; F750-K895 HydrophobicContact CE1-CB 4.32Å; F750-K895 HydrophobicContact CZ-CB 4.19Å
751	D	95.4	Very high	95.4	Very high	62 Å²	62	42.2 Å²	42.2	33%	0.332	22%	0.219	S	C	.	.			trans	-67.7	-29.4	-175.7	65.6	-79.6	0	0	0	113.1	G749 W887 N888 T889	G749-D751 PolarHBondContact O-N 3.35Å; D751-W887 PolarHBondContact N-O 3.3Å; D751-N888 VanDerWaalsContact OD1-CA 3.24Å; D751-N888 WeakPolarHBondContact OD1-CA 3.48Å; D751-T889 VanDerWaalsContact CG-OG1 3.29Å; D751-T889 PolarHBondContact OD1-N 3.49Å; D751-T889 PolarHBondContact OD1-OG1 3.01Å; D751-T889 VanDerWaalsContact OD1-OG1 3.13Å; D751-T889 WeakPolarHBondContact OD2-CG2 3.4Å; D751-T889 PolarHBondContact OD2-OG1 3.04Å
752	Q	97.6	Very high	95.5	Very high	56 Å²	56	42.5 Å²	42.5	26%	0.262	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.9	174.7	-61.8	-52.7	-56.5	0	0	112.7	F750 V886 W887 T889	F750-Q752 VanDerWaalsContact C-N 3.3Å; F750-Q752 PolarHBondContact O-N 2.94Å; Q752-V886 WeakPolarHBondContact O-CA 3.39Å; Q752-W887 HydrophobicContact CB-CD2 3.41Å; Q752-W887 VanDerWaalsContact CB-CD2 3.41Å; Q752-W887 HydrophobicContact CB-CE3 3.77Å; Q752-W887 HydrophobicContact CB-CG 3.94Å; Q752-W887 HydrophobicContact CB-CH2 3.85Å; Q752-W887 HydrophobicContact CB-CZ2 3.5Å; Q752-W887 VanDerWaalsContact CB-CZ2 3.5Å; Q752-W887 HydrophobicContact CB-CZ3 3.98Å; Q752-W887 HydrophobicContact CG-CD2 4.26Å; Q752-W887 HydrophobicContact CG-CZ2 3.83Å; Q752-W887 PolarHBondContact N-O 3.03Å; Q752-W887 PolarHBondContact O-N 2.96Å; Q752-T889 HydrophobicContact CG-CG2 3.62Å
753	G	97.2	Very high	95.5	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	140.5	168.5	0	0	0	0	0	114	V885	G753-V885 CarbonylContact C-O 3.59Å; G753-V885 VanDerWaalsContact CA-O 3.23Å; G753-V885 WeakPolarHBondContact CA-O 3.28Å
754	I	97.4	Very high	95.7	Very high	11 Å²	11	41.3 Å²	41.3	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.5	179.5	-68	172.6	0	0	0	109.1	F845 L884 V885 W887	I754-F845 HydrophobicContact CD1-CD1 3.47Å; I754-F845 VanDerWaalsContact CD1-CD1 3.47Å; I754-F845 HydrophobicContact CD1-CE1 3.54Å; I754-L884 WeakPolarHBondContact O-CA 3.33Å; I754-V885 PolarHBondContact N-O 3Å; I754-V885 PolarHBondContact O-N 3.43Å; I754-W887 HydrophobicContact CB-CZ3 4.48Å; I754-W887 HydrophobicContact CD1-CH2 3.7Å; I754-W887 HydrophobicContact CD1-CZ3 4.08Å; I754-W887 HydrophobicContact CG1-CH2 3.89Å; I754-W887 HydrophobicContact CG1-CZ3 3.97Å
755	H	96.7	Very high	95.8	Very high	61 Å²	61	39 Å²	39	28%	0.282	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	112.6	158.8	175.5	-154.8	0	0	0	108	L742 R844 L884	L742-H755 HydrophobicContact CD1-CB 4.01Å; H755-R844 PolarHBondContact O-NH1 3.22Å; H755-L884 HydrophobicContact CB-CD2 3.54Å
756	G	91.1	Very high	95.8	Very high	4 Å²	4	39 Å²	39	4%	0.041	20%	0.202	C	C	.	.			trans	-154.7	-2.1	-172.6	0	0	0	0	0	115.9	S759 D883	G756-S759 WeakPolarHBondContact O-CB 3.46Å; G756-S759 PolarHBondContact O-N 3.17Å; G756-S759 PolarHBondContact O-OG 2.86Å; G756-D883 PolarHBondContact N-O 3.13Å
757	E	92.6	Very high	95.9	Very high	109 Å²	109	32.6 Å²	32.6	51%	0.509	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-145.3	-177.3	-52.2	176.9	-153.5	0	0	111	S759 P882 D883	E757-S759 PolarHBondContact O-N 2.96Å; E757-S759 VanDerWaalsContact O-N 3.12Å; E757-P882 WeakPolarHBondContact CA-O 3.27Å; E757-D883 PolarHBondContact N-O 2.82Å
758	G	91.6	Very high	96.1	Very high	7 Å²	7	25.6 Å²	25.6	7%	0.072	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-11.4	174.2	0	0	0	0	0	115.7	S762	G758-S762 WeakPolarHBondContact O-CB 3.29Å; G758-S762 PolarHBondContact O-N 2.92Å; G758-S762 PolarHBondContact O-OG 2.84Å
759	S	93.9	Very high	96.2	Very high	33 Å²	33	20.9 Å²	20.9	23%	0.231	12%	0.121	C	C	.	.	H	α-helix	trans	-75.4	-24.2	-177.1	74.8	0	0	0	0	113.6	G756 E757 T763 R844	G756-S759 WeakPolarHBondContact O-CB 3.46Å; G756-S759 PolarHBondContact O-N 3.17Å; G756-S759 PolarHBondContact O-OG 2.86Å; E757-S759 PolarHBondContact O-N 2.96Å; E757-S759 VanDerWaalsContact O-N 3.12Å; S759-T763 WeakPolarHBondContact O-CB 3.29Å; S759-T763 PolarHBondContact O-N 2.77Å; S759-T763 PolarHBondContact O-OG1 2.91Å; S759-R844 VanDerWaalsContact OG-CZ 3.23Å; S759-R844 PolarHBondContact OG-NE 3.49Å; S759-R844 PolarHBondContact OG-NH2 3.4Å
760	T	96.7	Very high	96.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-61.3	-53	170.7	-51.9	0	0	0	0	110.4	T763 L764 F845 L854 V885	T760-T763 PolarHBondContact O-N 3.31Å; T760-L764 PolarHBondContact O-N 3.39Å; T760-F845 HydrophobicContact CG2-CE1 4.33Å; T760-F845 HydrophobicContact CG2-CZ 4.04Å; T760-L854 HydrophobicContact CG2-CD2 4.07Å; T760-V885 HydrophobicContact CG2-CG2 4.34Å
761	F	97	Very high	96.4	Very high	5 Å²	5	22.8 Å²	22.8	2%	0.022	12%	0.122	C	C	.	.	H	α-helix	trans	-70.5	-33.2	178.8	-62.7	-80.5	0	0	0	113	T763 L764 F765 F862 V866 M870 L881 V885 L896	F761-T763 VanDerWaalsContact C-N 3.29Å; F761-T763 PolarHBondContact O-N 2.77Å; F761-L764 PolarHBondContact O-N 3.47Å; F761-F765 WeakPolarHBondContact O-CB 3.3Å; F761-F765 PolarHBondContact O-N 2.96Å; F761-F862 HydrophobicContact CE1-CE1 4.07Å; F761-F862 HydrophobicContact CE1-CZ 4.17Å; F761-V866 HydrophobicContact CD1-CG1 4.24Å; F761-M870 HydrophobicContact CB-SD 4.11Å; F761-L881 HydrophobicContact CB-CD1 3.87Å; F761-L881 HydrophobicContact CD2-CB 4.31Å; F761-L881 HydrophobicContact CD2-CD1 3.98Å; F761-L881 HydrophobicContact CD2-CD2 3.89Å; F761-L881 HydrophobicContact CD2-CG 4.28Å; F761-L881 HydrophobicContact CE2-CD2 4.21Å; F761-L881 HydrophobicContact CG-CD1 4.2Å; F761-L881 HydrophobicContact CG-CD2 4.28Å; F761-V885 HydrophobicContact CE2-CG2 3.77Å; F761-V885 HydrophobicContact CZ-CG2 3.8Å; F761-L896 HydrophobicContact CZ-CD1 4.2Å; F761-L896 HydrophobicContact CZ-CD2 3.95Å
762	S	97.1	Very high	96.5	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-64.1	-36.4	173.1	-55.7	0	0	0	0	111.7	G758 G766 L839 Y874	G758-S762 WeakPolarHBondContact O-CB 3.29Å; G758-S762 PolarHBondContact O-N 2.92Å; G758-S762 PolarHBondContact O-OG 2.84Å; S762-G766 PolarHBondContact O-N 2.88Å; S762-L839 CarbonylContact C-O 3.59Å; S762-L839 VanDerWaalsContact O-O 3.14Å; S762-Y874 PolarHBondContact OG-OH 3.03Å
763	T	97.6	Very high	96.6	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.096	C	C	.	.	H	α-helix	trans	-69	-47.3	175.7	-57.5	0	0	0	0	110.8	S759 T760 F761 F765 G766 L767 L839 V840 S841 R844 F845	S759-T763 WeakPolarHBondContact O-CB 3.29Å; S759-T763 PolarHBondContact O-N 2.77Å; S759-T763 PolarHBondContact O-OG1 2.91Å; T760-T763 PolarHBondContact O-N 3.31Å; F761-T763 VanDerWaalsContact C-N 3.29Å; F761-T763 PolarHBondContact O-N 2.77Å; T763-F765 PolarHBondContact O-N 3.28Å; T763-G766 PolarHBondContact O-N 2.68Å; T763-L767 HydrophobicContact CG2-CD1 4.16Å; T763-L767 WeakPolarHBondContact O-CG 3.49Å; T763-L767 PolarHBondContact O-N 2.65Å; T763-L839 WeakPolarHBondContact CA-O 3.16Å; T763-L839 PolarHBondContact N-O 3.49Å; T763-V840 HydrophobicContact CG2-CG1 4.01Å; T763-S841 PolarHBondContact OG1-N 2.92Å; T763-R844 HydrophobicContact CG2-CB 4.48Å; T763-F845 HydrophobicContact CG2-CD2 4.23Å; T763-F845 HydrophobicContact CG2-CE2 3.82Å
764	L	97.8	Very high	96.6	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-60.8	-43.9	174.9	-67.7	178	0	0	0	112.3	T760 F761 L767 L768 L825 F845 L854 I855 L858 L863	T760-L764 PolarHBondContact O-N 3.39Å; F761-L764 PolarHBondContact O-N 3.47Å; L764-L767 PolarHBondContact O-N 3Å; L764-L768 WeakPolarHBondContact O-CB 3.31Å; L764-L768 VanDerWaalsContact O-CG 3.27Å; L764-L768 WeakPolarHBondContact O-CG 3.35Å; L764-L768 PolarHBondContact O-N 3.47Å; L764-L825 HydrophobicContact CD2-CD1 4.4Å; L764-F845 HydrophobicContact CD2-CE2 4.1Å; L764-F845 HydrophobicContact CD2-CZ 3.76Å; L764-F845 HydrophobicContact CG-CE2 4.46Å; L764-F845 HydrophobicContact CG-CZ 3.99Å; L764-L854 HydrophobicContact CD1-CD2 4.13Å; L764-I855 HydrophobicContact CD1-CG2 4.31Å; L764-I855 HydrophobicContact CD2-CG2 3.74Å; L764-L858 HydrophobicContact CD1-CD1 3.87Å; L764-L863 HydrophobicContact CD1-CD2 4.4Å
765	F	97.9	Very high	96.5	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.013	10%	0.103	C	C	.	.	H	α-helix	trans	-59.3	-47.5	174.2	174.2	-100.5	0	0	0	111.5	F761 T763 L767 L768 M769 F798 L839 T867 M870 A871	F761-F765 WeakPolarHBondContact O-CB 3.3Å; F761-F765 PolarHBondContact O-N 2.96Å; T763-F765 PolarHBondContact O-N 3.28Å; F765-L767 VanDerWaalsContact C-N 3.31Å; F765-L767 PolarHBondContact O-N 2.95Å; F765-L768 PolarHBondContact O-N 3.4Å; F765-M769 HydrophobicContact CD2-CG 3.91Å; F765-M769 HydrophobicContact CE2-CG 3.79Å; F765-M769 HydrophobicContact CZ-CG 4.3Å; F765-M769 WeakPolarHBondContact O-CB 3.44Å; F765-M769 WeakPolarHBondContact O-CG 3.5Å; F765-M769 PolarHBondContact O-N 2.88Å; F765-F798 HydrophobicContact CZ-CE1 4.28Å; F765-L839 HydrophobicContact CD1-CD1 4.04Å; F765-L839 HydrophobicContact CD1-CD2 4.29Å; F765-L839 HydrophobicContact CE1-CD1 4Å; F765-L839 HydrophobicContact CE1-CD2 4.46Å; F765-T867 HydrophobicContact CD2-CG2 4.02Å; F765-T867 HydrophobicContact CE2-CG2 4.07Å; F765-M870 HydrophobicContact CB-CE 3.9Å; F765-M870 HydrophobicContact CB-SD 4.36Å; F765-M870 HydrophobicContact CD1-CE 4.44Å; F765-M870 HydrophobicContact CD2-CB 3.8Å; F765-M870 HydrophobicContact CE2-CB 3.89Å; F765-M870 HydrophobicContact CG-CB 4.26Å; F765-M870 HydrophobicContact CG-CE 4.13Å; F765-M870 HydrophobicContact CZ-CB 4.43Å; F765-A871 HydrophobicContact CE2-CB 4.06Å; F765-A871 HydrophobicContact CZ-CB 4.21Å
766	G	97.5	Very high	96.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-35.8	178.7	0	0	0	0	0	113.7	S762 T763 W770	S762-G766 PolarHBondContact O-N 2.88Å; T763-G766 PolarHBondContact O-N 2.68Å; G766-W770 WeakPolarHBondContact O-CA 3.49Å; G766-W770 WeakPolarHBondContact O-CB 3.41Å; G766-W770 PolarHBondContact O-N 3.5Å
767	L	97.8	Very high	96.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-74.6	-50.3	175.3	-65.7	170.2	0	0	0	111.7	T763 L764 F765 M769 W770 L825 V828 W829 V840 W842	T763-L767 HydrophobicContact CG2-CD1 4.16Å; T763-L767 WeakPolarHBondContact O-CG 3.49Å; T763-L767 PolarHBondContact O-N 2.65Å; L764-L767 PolarHBondContact O-N 3Å; F765-L767 VanDerWaalsContact C-N 3.31Å; F765-L767 PolarHBondContact O-N 2.95Å; L767-M769 PolarHBondContact O-N 3.31Å; L767-W770 PolarHBondContact O-N 2.93Å; L767-L825 HydrophobicContact CB-CD1 3.81Å; L767-L825 HydrophobicContact CD1-CD1 3.77Å; L767-L825 HydrophobicContact CD1-CG 4.46Å; L767-L825 HydrophobicContact CG-CD1 4.43Å; L767-V828 HydrophobicContact CB-CG1 4.47Å; L767-V828 HydrophobicContact CD2-CG1 3.75Å; L767-W829 HydrophobicContact CD1-CE3 4.16Å; L767-W829 HydrophobicContact CD1-CZ3 4.33Å; L767-V840 HydrophobicContact CD2-CG1 3.97Å; L767-V840 HydrophobicContact CD2-CG2 4.3Å; L767-V840 HydrophobicContact CG-CG1 4.25Å; L767-V840 HydrophobicContact CG-CG2 4.25Å; L767-W842 HydrophobicContact CD2-CH2 3.6Å; L767-W842 HydrophobicContact CD2-CZ3 3.73Å
768	L	97.7	Very high	96.8	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-70.5	-11.7	-177.2	-65	173.2	0	0	0	114.4	L764 F765 R809 L813 L825 L863	L764-L768 WeakPolarHBondContact O-CB 3.31Å; L764-L768 VanDerWaalsContact O-CG 3.27Å; L764-L768 WeakPolarHBondContact O-CG 3.35Å; L764-L768 PolarHBondContact O-N 3.47Å; F765-L768 PolarHBondContact O-N 3.4Å; L768-R809 PolarHBondContact O-NH1 3.28Å; L768-L813 HydrophobicContact CB-CD2 4.44Å; L768-L813 HydrophobicContact CD1-CD2 4.24Å; L768-L813 HydrophobicContact CD2-CD2 4.1Å; L768-L813 HydrophobicContact CG-CD2 4.5Å; L768-L825 HydrophobicContact CD2-CD1 4.38Å; L768-L863 HydrophobicContact CD1-CD1 4.42Å; L768-L863 HydrophobicContact CD1-CD2 4.24Å
769	M	98.1	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.5	7	179.9	-62.1	-67.1	-64.9	0	0	113.7	F765 L767 D771 I772 I773 I806 R809 T867	F765-M769 HydrophobicContact CD2-CG 3.91Å; F765-M769 HydrophobicContact CE2-CG 3.79Å; F765-M769 HydrophobicContact CZ-CG 4.3Å; F765-M769 WeakPolarHBondContact O-CB 3.44Å; F765-M769 WeakPolarHBondContact O-CG 3.5Å; F765-M769 PolarHBondContact O-N 2.88Å; L767-M769 PolarHBondContact O-N 3.31Å; M769-D771 PolarHBondContact O-N 2.96Å; M769-I772 HydrophobicContact CE-CB 4.04Å; M769-I772 HydrophobicContact CE-CD1 3.88Å; M769-I772 HydrophobicContact CE-CG2 3.78Å; M769-I772 CarbonylContact O-C 3.47Å; M769-I772 WeakPolarHBondContact O-CA 3.3Å; M769-I772 PolarHBondContact O-N 3.19Å; M769-I772 HydrophobicContact SD-CD1 4.41Å; M769-I773 HydrophobicContact CB-CD1 3.64Å; M769-I773 HydrophobicContact CB-CG1 3.99Å; M769-I773 WeakPolarHBondContact O-CD1 3.09Å; M769-I773 WeakPolarHBondContact O-CG1 3.47Å; M769-I773 PolarHBondContact O-N 3.46Å; M769-I806 HydrophobicContact CE-CB 4.37Å; M769-I806 HydrophobicContact CE-CG1 3.79Å; M769-I806 HydrophobicContact CE-CG2 4.37Å; M769-R809 HydrophobicContact CE-CG 4.43Å; M769-R809 HydrophobicContact SD-CB 4.18Å; M769-R809 HydrophobicContact SD-CG 3.43Å; M769-R809 WeakPolarHBondContact SD-CG 3.48Å; M769-T867 HydrophobicContact CE-CG2 4.39Å; M769-T867 HydrophobicContact CG-CG2 3.69Å; M769-T867 HydrophobicContact SD-CG2 3.33Å; M769-T867 WeakPolarHBondContact SD-CG2 3.41Å
770	W	98.3	Very high	97.1	Very high	15 Å²	15	22.3 Å²	22.3	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-51.6	-51.3	-165.4	-174.7	-82.8	0	0	0	113.6	P504 G766 L767 I772 I773 F774 V828 Q832 K835 C837 V840 W842	P504-W770 HydrophobicContact CB-CH2 4.44Å; P504-W770 HydrophobicContact CB-CZ2 3.77Å; P504-W770 HydrophobicContact CG-CH2 3.98Å; P504-W770 HydrophobicContact CG-CZ2 3.81Å; G766-W770 WeakPolarHBondContact O-CA 3.49Å; G766-W770 WeakPolarHBondContact O-CB 3.41Å; G766-W770 PolarHBondContact O-N 3.5Å; L767-W770 PolarHBondContact O-N 2.93Å; W770-I772 VanDerWaalsContact C-N 3.27Å; W770-I772 PolarHBondContact O-N 3.06Å; W770-I773 PolarHBondContact O-N 3.45Å; W770-F774 AromaticContact CD1-CD2 3.99Å; W770-F774 AromaticContact CD2-CD2 3.98Å; W770-F774 HydrophobicContact CD2-CD2 3.98Å; W770-F774 AromaticContact CD2-CE2 3.89Å; W770-F774 HydrophobicContact CD2-CE2 3.89Å; W770-F774 AromaticContact CE2-CD2 3.77Å; W770-F774 AromaticContact CE2-CE2 3.8Å; W770-F774 HydrophobicContact CE3-CE2 4.12Å; W770-F774 HydrophobicContact CG-CD2 4.12Å; W770-F774 HydrophobicContact CG-CE2 4.44Å; W770-F774 HydrophobicContact CH2-CE2 4.25Å; W770-F774 HydrophobicContact CZ2-CD2 4.3Å; W770-F774 AromaticContact CZ2-CE2 4Å; W770-F774 HydrophobicContact CZ2-CE2 4Å; W770-F774 HydrophobicContact CZ3-CE2 4.31Å; W770-F774 AromaticContact NE1-CD2 3.76Å; W770-F774 VanDerWaalsContact O-CD2 3.26Å; W770-F774 WeakPolarHBondContact O-CD2 3.5Å; W770-F774 PolarHBondContact O-N 2.9Å; W770-V828 HydrophobicContact CB-CG1 3.72Å; W770-V828 HydrophobicContact CB-CG2 4.3Å; W770-V828 HydrophobicContact CD2-CG1 4.14Å; W770-V828 HydrophobicContact CE3-CG1 4.3Å; W770-V828 HydrophobicContact CG-CG1 3.9Å; W770-Q832 HydrophobicContact CD2-CB 4.38Å; W770-Q832 HydrophobicContact CD2-CG 4.07Å; W770-Q832 HydrophobicContact CG-CG 4.34Å; W770-Q832 HydrophobicContact CH2-CB 4.02Å; W770-Q832 HydrophobicContact CZ2-CB 3.71Å; W770-Q832 HydrophobicContact CZ2-CG 3.92Å; W770-Q832 HydrophobicContact CZ3-CB 4.47Å; W770-K835 HydrophobicContact CH2-CB 4.04Å; W770-K835 HydrophobicContact CZ2-CB 4.22Å; W770-K835 HydrophobicContact CZ2-CD 4.31Å; W770-C837 HydrophobicContact CE3-CB 4.49Å; W770-C837 HydrophobicContact CH2-CB 3.78Å; W770-C837 HydrophobicContact CZ3-CB 3.53Å; W770-V840 HydrophobicContact CE3-CG2 4.11Å; W770-V840 HydrophobicContact CZ3-CB 4.36Å; W770-V840 HydrophobicContact CZ3-CG2 3.89Å; W770-W842 HydrophobicContact CH2-CZ2 4.33Å; W770-W842 HydrophobicContact CZ3-CZ2 4.15Å
771	D	97.6	Very high	97	Very high	85 Å²	85	22.2 Å²	22.2	46%	0.455	13%	0.128	S	C	.	.	H	α-helix	trans	-59.5	-33.1	177.6	64.3	-46.1	0	0	0	113.6	M769 M775 R809	M769-D771 PolarHBondContact O-N 2.96Å; D771-M775 WeakPolarHBondContact O-CA 3.48Å; D771-M775 WeakPolarHBondContact O-CB 3.41Å; D771-M775 PolarHBondContact O-N 2.97Å; D771-R809 VanDerWaalsContact CG-NH2 3.34Å; D771-R809 IonicContact OD1-CZ 2.71Å; D771-R809 IonicContact OD1-NH1 3.17Å; D771-R809 PolarHBondContact OD1-NH1 2.64Å; D771-R809 IonicContact OD1-NH2 3.53Å; D771-R809 PolarHBondContact OD1-NH2 3.08Å; D771-R809 IonicContact OD2-CZ 2.77Å; D771-R809 IonicContact OD2-NH1 3.93Å; D771-R809 IonicContact OD2-NH2 3.06Å; D771-R809 PolarHBondContact OD2-NH2 2.88Å
772	I	98.3	Very high	96.9	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.041	13%	0.129	C	C	.	.	H	α-helix	trans	-81.7	-33.5	178.2	-65.4	171.2	0	0	0	111.2	M769 W770 F774 M775 R802 A805 I806 R809	M769-I772 HydrophobicContact CE-CB 4.04Å; M769-I772 HydrophobicContact CE-CD1 3.88Å; M769-I772 HydrophobicContact CE-CG2 3.78Å; M769-I772 CarbonylContact O-C 3.47Å; M769-I772 WeakPolarHBondContact O-CA 3.3Å; M769-I772 PolarHBondContact O-N 3.19Å; M769-I772 HydrophobicContact SD-CD1 4.41Å; W770-I772 VanDerWaalsContact C-N 3.27Å; W770-I772 PolarHBondContact O-N 3.06Å; I772-F774 VanDerWaalsContact C-N 3.33Å; I772-M775 HydrophobicContact CG2-SD 4.32Å; I772-M775 WeakPolarHBondContact O-CG 3.44Å; I772-R802 HydrophobicContact CG2-CB 4.27Å; I772-R802 HydrophobicContact CG2-CG 4.48Å; I772-R802 WeakPolarHBondContact O-CD 3.36Å; I772-R802 PolarHBondContact O-NE 2.98Å; I772-A805 HydrophobicContact CD1-CB 4.18Å; I772-A805 HydrophobicContact CG1-CB 4.21Å; I772-A805 HydrophobicContact CG2-CB 4.31Å; I772-I806 HydrophobicContact CG2-CG1 3.98Å; I772-R809 HydrophobicContact CD1-CB 3.51Å; I772-R809 HydrophobicContact CD1-CG 3.93Å
773	I	98.1	Very high	96.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-41.8	175	-67.6	153.6	0	0	0	110.3	M769 W770 P790 F798 L839	M769-I773 HydrophobicContact CB-CD1 3.64Å; M769-I773 HydrophobicContact CB-CG1 3.99Å; M769-I773 WeakPolarHBondContact O-CD1 3.09Å; M769-I773 WeakPolarHBondContact O-CG1 3.47Å; M769-I773 PolarHBondContact O-N 3.46Å; W770-I773 PolarHBondContact O-N 3.45Å; I773-P790 HydrophobicContact CG2-CG 4.17Å; I773-P790 WeakPolarHBondContact O-CG 3.47Å; I773-F798 HydrophobicContact CG1-CE2 4.44Å; I773-F798 HydrophobicContact CG1-CZ 4.05Å; I773-L839 HydrophobicContact CD1-CD1 3.42Å; I773-L839 VanDerWaalsContact CD1-CD1 3.42Å; I773-L839 HydrophobicContact CG1-CD1 4.1Å; I773-L839 HydrophobicContact CG2-CD1 4.32Å
774	F	97.6	Very high	96	Very high	11 Å²	11	23.8 Å²	23.8	5%	0.048	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	14.4	-176.9	-60.5	-68.8	0	0	0	114.1	P504 Y506 W770 I772 F782 C837	P504-F774 HydrophobicContact CB-CD1 3.66Å; P504-F774 HydrophobicContact CB-CD2 3.89Å; P504-F774 HydrophobicContact CB-CE1 3.54Å; P504-F774 HydrophobicContact CB-CE2 3.77Å; P504-F774 HydrophobicContact CB-CG 3.87Å; P504-F774 HydrophobicContact CB-CZ 3.61Å; P504-F774 HydrophobicContact CG-CD1 4.29Å; P504-F774 HydrophobicContact CG-CD2 4.46Å; P504-F774 HydrophobicContact CG-CE1 3.63Å; P504-F774 HydrophobicContact CG-CE2 3.83Å; P504-F774 HydrophobicContact CG-CZ 3.39Å; Y506-F774 AromaticContact CD1-CD1 3.63Å; Y506-F774 HydrophobicContact CD1-CD1 3.63Å; Y506-F774 HydrophobicContact CD1-CE1 4.21Å; Y506-F774 HydrophobicContact CE1-CD1 4.24Å; Y506-F774 HydrophobicContact CE1-CE1 4.37Å; W770-F774 AromaticContact CD1-CD2 3.99Å; W770-F774 AromaticContact CD2-CD2 3.98Å; W770-F774 HydrophobicContact CD2-CD2 3.98Å; W770-F774 AromaticContact CD2-CE2 3.89Å; W770-F774 HydrophobicContact CD2-CE2 3.89Å; W770-F774 AromaticContact CE2-CD2 3.77Å; W770-F774 AromaticContact CE2-CE2 3.8Å; W770-F774 HydrophobicContact CE3-CE2 4.12Å; W770-F774 HydrophobicContact CG-CD2 4.12Å; W770-F774 HydrophobicContact CG-CE2 4.44Å; W770-F774 HydrophobicContact CH2-CE2 4.25Å; W770-F774 HydrophobicContact CZ2-CD2 4.3Å; W770-F774 AromaticContact CZ2-CE2 4Å; W770-F774 HydrophobicContact CZ2-CE2 4Å; W770-F774 HydrophobicContact CZ3-CE2 4.31Å; W770-F774 AromaticContact NE1-CD2 3.76Å; W770-F774 VanDerWaalsContact O-CD2 3.26Å; W770-F774 WeakPolarHBondContact O-CD2 3.5Å; W770-F774 PolarHBondContact O-N 2.9Å; I772-F774 VanDerWaalsContact C-N 3.33Å; F774-F782 AromaticContact CD1-CE1 3.87Å; F774-F782 HydrophobicContact CD1-CE1 3.87Å; F774-F782 HydrophobicContact CD1-CE2 4.45Å; F774-F782 AromaticContact CD1-CZ 3.47Å; F774-F782 HydrophobicContact CD1-CZ 3.47Å; F774-F782 VanDerWaalsContact CD1-CZ 3.47Å; F774-F782 HydrophobicContact CE1-CE1 4.07Å; F774-F782 HydrophobicContact CE1-CZ 4.02Å; F774-F782 HydrophobicContact CG-CZ 4.45Å; F774-C837 HydrophobicContact CZ-CB 4.33Å
775	M	96.1	Very high	95.5	Very high	64 Å²	64	27.4 Å²	27.4	32%	0.315	16%	0.158	S	C	.	.			trans	-63.1	145.2	-179.7	71.7	-175.7	-74.1	0	0	113.3	D771 I772 I778 R802 A805	D771-M775 WeakPolarHBondContact O-CA 3.48Å; D771-M775 WeakPolarHBondContact O-CB 3.41Å; D771-M775 PolarHBondContact O-N 2.97Å; I772-M775 HydrophobicContact CG2-SD 4.32Å; I772-M775 WeakPolarHBondContact O-CG 3.44Å; M775-I778 HydrophobicContact CG-CD1 3.81Å; M775-I778 HydrophobicContact SD-CD1 4.09Å; M775-R802 HydrophobicContact CG-CG 4.5Å; M775-R802 HydrophobicContact SD-CB 4.37Å; M775-R802 HydrophobicContact SD-CG 3.76Å; M775-A805 HydrophobicContact SD-CB 4.35Å
776	E	95.1	Very high	94.9	Very high	132 Å²	132	29.7 Å²	29.7	62%	0.617	17%	0.167	S	C	*	.	S	Bend	trans	-77.3	171	174	-56.4	-172	163.7	0	0	112.7	A507	A507-E776 HydrophobicContact CB-CG 3.96Å
777	G	93.9	Very high	94.5	Very high	60 Å²	60	29.9 Å²	29.9	62%	0.619	17%	0.168	S	C	*	.	S	Bend	trans	86	12.6	172.9	0	0	0	0	0	114.6
778	I	96.8	Very high	94.1	Very high	14 Å²	14	31.8 Å²	31.8	7%	0.072	18%	0.18	C	C	.	.			trans	-117.9	109.4	175.4	-55.7	172.4	0	0	0	107	M775 V781 N801 R802	M775-I778 HydrophobicContact CG-CD1 3.81Å; M775-I778 HydrophobicContact SD-CD1 4.09Å; I778-V781 HydrophobicContact CB-CG2 4.04Å; I778-V781 HydrophobicContact CG2-CB 4.45Å; I778-V781 HydrophobicContact CG2-CG1 3.68Å; I778-V781 HydrophobicContact CG2-CG2 3.89Å; I778-N801 HydrophobicContact CD1-CB 4.17Å; I778-N801 HydrophobicContact CG2-CB 3.96Å; I778-R802 HydrophobicContact CD1-CG 3.45Å; I778-R802 VanDerWaalsContact CD1-CG 3.45Å
779	P	96.2	Very high	93.9	Very high	48 Å²	48	32.5 Å²	32.5	31%	0.312	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	154.7	-174.1	27.7	-34.5	0	0	0	112.3	E511 V781	E511-P779 HydrophobicContact CB-CB 4.31Å; E511-P779 VanDerWaalsContact CD-CB 3.47Å; E511-P779 HydrophobicContact CG-CB 3.83Å; E511-P779 WeakPolarHBondContact OE2-CB 3.32Å; P779-V781 PolarHBondContact O-N 3.29Å
780	D	95.1	Very high	93.8	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-10.8	174.7	-62.4	-53.8	0	0	0	118	Q509 R510 E511 A512 F575 L576 F782 R783 L791	Q509-D780 VanDerWaalsContact O-CA 3.22Å; Q509-D780 WeakPolarHBondContact O-CA 3.37Å; Q509-D780 PolarHBondContact O-N 3.5Å; R510-D780 WeakPolarHBondContact CA-OD1 3.44Å; E511-D780 PolarHBondContact N-OD1 3.4Å; A512-D780 WeakPolarHBondContact CB-OD2 3.35Å; A512-D780 PolarHBondContact N-OD1 3.26Å; A512-D780 PolarHBondContact N-OD2 3.39Å; F575-D780 HydrophobicContact CE2-CB 4.12Å; F575-D780 HydrophobicContact CZ-CB 4.49Å; L576-D780 HydrophobicContact CD1-CB 3.84Å; L576-D780 HydrophobicContact CD2-CB 4.36Å; L576-D780 HydrophobicContact CG-CB 4.47Å; D780-F782 VanDerWaalsContact C-N 3.28Å; D780-F782 PolarHBondContact O-N 3.07Å; D780-R783 VanDerWaalsContact CG-NH1 3.3Å; D780-R783 VanDerWaalsContact O-CG 3.29Å; D780-R783 WeakPolarHBondContact O-CG 3.44Å; D780-R783 IonicContact OD1-CZ 3.4Å; D780-R783 IonicContact OD1-NH1 3.43Å; D780-R783 PolarHBondContact OD1-NH1 2.85Å; D780-R783 IonicContact OD1-NH2 2.72Å; D780-L791 WeakPolarHBondContact O-CD1 3.41Å
781	V	95.6	Very high	93.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-74.7	-17.4	-179	-55.7	0	0	0	0	113.5	F575 I778 P779 Q787 P790 L791 D792	F575-V781 HydrophobicContact CE1-CG1 4.4Å; F575-V781 HydrophobicContact CE2-CG1 3.89Å; F575-V781 HydrophobicContact CZ-CG1 3.78Å; I778-V781 HydrophobicContact CB-CG2 4.04Å; I778-V781 HydrophobicContact CG2-CB 4.45Å; I778-V781 HydrophobicContact CG2-CG1 3.68Å; I778-V781 HydrophobicContact CG2-CG2 3.89Å; P779-V781 PolarHBondContact O-N 3.29Å; V781-Q787 PolarHBondContact O-NE2 3.04Å; V781-P790 HydrophobicContact CB-CB 3.88Å; V781-P790 HydrophobicContact CG2-CB 4Å; V781-P790 CarbonylContact O-C 3.56Å; V781-P790 WeakPolarHBondContact O-CA 3.39Å; V781-L791 WeakPolarHBondContact O-CG 3.47Å; V781-L791 PolarHBondContact O-N 3.08Å; V781-D792 HydrophobicContact CG1-CB 3.9Å; V781-D792 VanDerWaalsContact CG1-CG 3.46Å
782	F	94	Very high	93.5	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.026	17%	0.166	C	C	.	.			trans	-127.3	110.9	167.7	-64.5	-70.3	0	0	0	109.9	Y506 V508 Q509 F774 D780 Q787 P790	Y506-F782 AromaticContact CD1-CD1 3.96Å; Y506-F782 HydrophobicContact CD1-CD1 3.96Å; Y506-F782 AromaticContact CD1-CE1 3.75Å; Y506-F782 HydrophobicContact CD1-CE1 3.75Å; Y506-F782 HydrophobicContact CD1-CZ 4.13Å; Y506-F782 HydrophobicContact CD2-CB 3.63Å; Y506-F782 AromaticContact CD2-CD1 3.46Å; Y506-F782 HydrophobicContact CD2-CD1 3.46Å; Y506-F782 VanDerWaalsContact CD2-CD1 3.46Å; Y506-F782 HydrophobicContact CD2-CD2 4.06Å; Y506-F782 HydrophobicContact CD2-CE1 4.11Å; Y506-F782 AromaticContact CD2-CG 3.44Å; Y506-F782 HydrophobicContact CD2-CG 3.44Å; Y506-F782 VanDerWaalsContact CD2-CG 3.44Å; Y506-F782 HydrophobicContact CE1-CD1 4.03Å; Y506-F782 AromaticContact CE1-CE1 3.93Å; Y506-F782 HydrophobicContact CE1-CE1 3.93Å; Y506-F782 HydrophobicContact CE2-CB 3.97Å; Y506-F782 AromaticContact CE2-CD1 3.56Å; Y506-F782 HydrophobicContact CE2-CD1 3.56Å; Y506-F782 HydrophobicContact CE2-CE1 4.3Å; Y506-F782 AromaticContact CE2-CG 3.93Å; Y506-F782 HydrophobicContact CE2-CG 3.93Å; Y506-F782 HydrophobicContact CG-CB 4.44Å; Y506-F782 AromaticContact CG-CD1 3.69Å; Y506-F782 HydrophobicContact CG-CD1 3.69Å; Y506-F782 HydrophobicContact CG-CD2 4.02Å; Y506-F782 AromaticContact CG-CE1 3.85Å; Y506-F782 HydrophobicContact CG-CE1 3.85Å; Y506-F782 HydrophobicContact CG-CE2 4.18Å; Y506-F782 AromaticContact CG-CG 3.79Å; Y506-F782 HydrophobicContact CG-CG 3.79Å; Y506-F782 HydrophobicContact CG-CZ 4.1Å; Y506-F782 AromaticContact CZ-CD1 3.86Å; V508-F782 WeakPolarHBondContact CA-O 3.47Å; Q509-F782 PolarHBondContact N-O 3.21Å; F774-F782 AromaticContact CD1-CE1 3.87Å; F774-F782 HydrophobicContact CD1-CE1 3.87Å; F774-F782 HydrophobicContact CD1-CE2 4.45Å; F774-F782 AromaticContact CD1-CZ 3.47Å; F774-F782 HydrophobicContact CD1-CZ 3.47Å; F774-F782 VanDerWaalsContact CD1-CZ 3.47Å; F774-F782 HydrophobicContact CE1-CE1 4.07Å; F774-F782 HydrophobicContact CE1-CZ 4.02Å; F774-F782 HydrophobicContact CG-CZ 4.45Å; D780-F782 VanDerWaalsContact C-N 3.28Å; D780-F782 PolarHBondContact O-N 3.07Å; F782-Q787 HydrophobicContact CD1-CB 4.17Å; F782-P790 HydrophobicContact CE1-CB 4Å; F782-P790 HydrophobicContact CE2-CB 3.97Å; F782-P790 HydrophobicContact CZ-CB 3.57Å; F782-P790 HydrophobicContact CZ-CG 4.11Å
783	R	90.4	Very high	93.4	Very high	23 Å²	23	28.6 Å²	28.6	9%	0.087	17%	0.165	C	C	.	.			trans	-109.8	-16.5	-176.5	-55.4	-170.5	78.1	83.9	0.8	114.1	R510 A512 D780 L791	R510-R783 HydrophobicContact CG-CB 4.31Å; R510-R783 HydrophobicContact CG-CG 4.4Å; R510-R783 VanDerWaalsContact CZ-O 3.31Å; R510-R783 PolarHBondContact NE-O 3.46Å; R510-R783 PolarHBondContact NH2-O 3.2Å; A512-R783 PolarHBondContact O-NH1 2.75Å; A512-R783 PolarHBondContact O-NH2 3.48Å; D780-R783 VanDerWaalsContact CG-NH1 3.3Å; D780-R783 VanDerWaalsContact O-CG 3.29Å; D780-R783 WeakPolarHBondContact O-CG 3.44Å; D780-R783 IonicContact OD1-CZ 3.4Å; D780-R783 IonicContact OD1-NH1 3.43Å; D780-R783 PolarHBondContact OD1-NH1 2.85Å; D780-R783 IonicContact OD1-NH2 2.72Å; R783-L791 HydrophobicContact CG-CD1 4Å
784	N	85.8	Confident	93.2	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.08	18%	0.176	C	C	.	.	S	Bend	trans	-145.2	162.2	174.9	72.1	39	0	0	0	110.7	F471 Y506 Y786 Q787	F471-N784 PolarHBondContact O-ND2 3.08Å; Y506-N784 WeakPolarHBondContact CE2-O 3.23Å; Y506-N784 PolarHBondContact OH-O 3.06Å; N784-Y786 PolarHBondContact O-N 3.23Å; N784-Y786 WeakPolarHBondContact OD1-CA 3.42Å; N784-Y786 PolarHBondContact OD1-N 3.31Å; N784-Q787 PolarHBondContact OD1-N 3.15Å
785	P	87.3	Confident	93	Very high	78 Å²	78	32.4 Å²	32.4	51%	0.506	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	11.8	179	-16.3	32.8	0	0	0	115.7	Y506 V508	Y506-P785 VanDerWaalsContact OH-C 3.26Å; Y506-P785 PolarHBondContact OH-O 3.14Å; V508-P785 HydrophobicContact CG2-CG 4.45Å
786	Y	85.8	Confident	92.9	Very high	51 Å²	51	32.6 Å²	32.6	20%	0.2	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	18.5	-171.2	-51.4	-72.8	0	0	0	112.3	F471 V496 F503 Y506 N784	F471-Y786 HydrophobicContact CE1-CD2 4.04Å; F471-Y786 HydrophobicContact CE1-CE2 4.34Å; F471-Y786 HydrophobicContact CE2-CD2 4.11Å; F471-Y786 AromaticContact CE2-CE2 3.76Å; F471-Y786 HydrophobicContact CE2-CE2 3.76Å; F471-Y786 AromaticContact CZ-CD2 3.45Å; F471-Y786 HydrophobicContact CZ-CD2 3.45Å; F471-Y786 VanDerWaalsContact CZ-CD2 3.45Å; F471-Y786 AromaticContact CZ-CE2 3.34Å; F471-Y786 HydrophobicContact CZ-CE2 3.34Å; F471-Y786 HydrophobicContact CZ-CG 4.36Å; V496-Y786 HydrophobicContact CG1-CE1 4.43Å; V496-Y786 HydrophobicContact CG2-CD1 4.3Å; V496-Y786 HydrophobicContact CG2-CE1 4.27Å; F503-Y786 HydrophobicContact CD2-CD1 4.06Å; F503-Y786 WeakPolarHBondContact CE1-O 3.09Å; F503-Y786 AromaticContact CE2-CD1 3.82Å; F503-Y786 HydrophobicContact CE2-CD1 3.82Å; F503-Y786 WeakPolarHBondContact CZ-O 3.41Å; Y506-Y786 PolarHBondContact OH-N 3.21Å; N784-Y786 PolarHBondContact O-N 3.23Å; N784-Y786 WeakPolarHBondContact OD1-CA 3.42Å; N784-Y786 PolarHBondContact OD1-N 3.31Å
787	Q	88.1	Confident	93	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.019	17%	0.166	C	C	.	.			trans	-81.8	135	173.9	-83.5	-179.8	-125.7	0	0	111.9	T474 F503 Y506 V781 F782 N784 C789	T474-Q787 HydrophobicContact CG2-CG 4.36Å; F503-Q787 WeakPolarHBondContact CD1-O 3.32Å; Y506-Q787 WeakPolarHBondContact OH-CA 3.47Å; Y506-Q787 WeakPolarHBondContact OH-CB 3.26Å; Y506-Q787 PolarHBondContact OH-N 2.9Å; Y506-Q787 PolarHBondContact OH-O 3.1Å; V781-Q787 PolarHBondContact O-NE2 3.04Å; F782-Q787 HydrophobicContact CD1-CB 4.17Å; N784-Q787 PolarHBondContact OD1-N 3.15Å; Q787-C789 PolarHBondContact NE2-O 3.4Å
788	T	90.1	Very high	93.1	Very high	42 Å²	42	25 Å²	25	26%	0.258	14%	0.137	S	C	.	.	S	Bend	trans	-89.3	-5.5	175.8	59.1	0	0	0	0	113.5	F503 V836 C837 S838	F503-T788 HydrophobicContact CD1-CG2 4.35Å; F503-T788 HydrophobicContact CE1-CG2 3.74Å; T788-V836 WeakPolarHBondContact CA-O 3.49Å; T788-V836 HydrophobicContact CG2-CB 4.2Å; T788-V836 HydrophobicContact CG2-CG1 3.48Å; T788-V836 VanDerWaalsContact CG2-CG1 3.48Å; T788-C837 CarbonylContact O-C 3.53Å; T788-C837 VanDerWaalsContact O-CA 3.31Å; T788-C837 WeakPolarHBondContact O-CA 3.13Å; T788-S838 PolarHBondContact O-N 3.32Å
789	C	93.2	Very high	93.2	Very high	17 Å²	17	25.4 Å²	25.4	12%	0.115	14%	0.138	C	C	.	.	S	Bend	trans	-166.9	160	178.5	56.8	0	0	0	0	110.1	Q787 L793 S838	Q787-C789 PolarHBondContact NE2-O 3.4Å; C789-L793 HydrophobicContact CB-CD2 3.52Å; C789-S838 WeakPolarHBondContact CB-OG 3.3Å
790	P	96.1	Very high	93.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.			trans	-65.1	146.9	169.6	28.7	-35.2	0	0	0	110.9	I773 V781 F782 D792 L793 F798	I773-P790 HydrophobicContact CG2-CG 4.17Å; I773-P790 WeakPolarHBondContact O-CG 3.47Å; V781-P790 HydrophobicContact CB-CB 3.88Å; V781-P790 HydrophobicContact CG2-CB 4Å; V781-P790 CarbonylContact O-C 3.56Å; V781-P790 WeakPolarHBondContact O-CA 3.39Å; F782-P790 HydrophobicContact CE1-CB 4Å; F782-P790 HydrophobicContact CE2-CB 3.97Å; F782-P790 HydrophobicContact CZ-CB 3.57Å; F782-P790 HydrophobicContact CZ-CG 4.11Å; P790-D792 WeakPolarHBondContact CB-OD1 3.27Å; P790-D792 PolarHBondContact O-N 3.31Å; P790-L793 HydrophobicContact CG-CB 4.28Å; P790-L793 WeakPolarHBondContact O-CB 3.3Å; P790-L793 PolarHBondContact O-N 3.13Å; P790-F798 HydrophobicContact CG-CD2 4.22Å; P790-F798 HydrophobicContact CG-CE2 4.09Å
791	L	94.4	Very high	93.4	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.12	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-59.3	-31.9	-177.2	-61.7	-172.4	0	0	0	112.9	T474 F575 L576 F579 D780 V781 R783 L793	T474-L791 HydrophobicContact CG2-CD2 3.17Å; F575-L791 HydrophobicContact CB-CB 4.43Å; F575-L791 HydrophobicContact CD2-CB 3.67Å; F575-L791 HydrophobicContact CD2-CD1 4.41Å; F575-L791 HydrophobicContact CE2-CB 4.37Å; F575-L791 HydrophobicContact CG-CB 4.42Å; L576-L791 HydrophobicContact CD2-CD1 3.67Å; F579-L791 HydrophobicContact CE2-CD1 4.23Å; D780-L791 WeakPolarHBondContact O-CD1 3.41Å; V781-L791 WeakPolarHBondContact O-CG 3.47Å; V781-L791 PolarHBondContact O-N 3.08Å; R783-L791 HydrophobicContact CG-CD1 4Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 3.39Å
792	D	96.4	Very high	93.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-77.3	-13.3	-175.6	67.3	-14.4	0	0	0	114.6	F575 V781 P790 Y794 T795 C797 F798 N801 R802	F575-D792 HydrophobicContact CB-CB 4.21Å; F575-D792 HydrophobicContact CD1-CB 3.58Å; F575-D792 HydrophobicContact CD2-CB 4.42Å; F575-D792 HydrophobicContact CE1-CB 3.97Å; F575-D792 HydrophobicContact CG-CB 3.83Å; V781-D792 HydrophobicContact CG1-CB 3.9Å; V781-D792 VanDerWaalsContact CG1-CG 3.46Å; P790-D792 WeakPolarHBondContact CB-OD1 3.27Å; P790-D792 PolarHBondContact O-N 3.31Å; D792-Y794 PolarHBondContact O-N 3.03Å; D792-T795 WeakPolarHBondContact O-CA 3.36Å; D792-T795 PolarHBondContact O-N 3.43Å; D792-T795 PolarHBondContact O-OG1 3.11Å; D792-C797 HydrophobicContact CB-CB 4.12Å; D792-F798 WeakPolarHBondContact O-CB 3.24Å; D792-F798 WeakPolarHBondContact OD2-CA 3.39Å; D792-N801 PolarHBondContact OD2-ND2 3.5Å; D792-R802 VanDerWaalsContact CG-NH1 3.31Å; D792-R802 IonicContact OD1-CZ 3.08Å; D792-R802 IonicContact OD1-NH1 3.66Å; D792-R802 PolarHBondContact OD1-NH1 3.29Å; D792-R802 VanDerWaalsContact OD1-NH1 3.15Å; D792-R802 IonicContact OD1-NH2 3.46Å; D792-R802 PolarHBondContact OD1-NH2 3.19Å; D792-R802 VanDerWaalsContact OD1-NH2 3.09Å; D792-R802 IonicContact OD2-CZ 2.91Å; D792-R802 IonicContact OD2-NH1 2.94Å; D792-R802 PolarHBondContact OD2-NH1 3.12Å; D792-R802 IonicContact OD2-NH2 3.92Å
793	L	95.5	Very high	93.7	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-47.8	-31.8	-175.9	177.4	62.9	0	0	0	115	C789 P790 L791 F798 L839 Y874	C789-L793 HydrophobicContact CB-CD2 3.52Å; P790-L793 HydrophobicContact CG-CB 4.28Å; P790-L793 WeakPolarHBondContact O-CB 3.3Å; P790-L793 PolarHBondContact O-N 3.13Å; L791-L793 VanDerWaalsContact C-N 3.34Å; L791-L793 PolarHBondContact O-N 3.39Å; L793-F798 HydrophobicContact CB-CD2 4.33Å; L793-F798 HydrophobicContact CD1-CD2 4.09Å; L793-F798 HydrophobicContact CD1-CE1 4.49Å; L793-F798 HydrophobicContact CD1-CE2 4.03Å; L793-F798 HydrophobicContact CD1-CG 4.37Å; L793-F798 HydrophobicContact CD1-CZ 4.24Å; L793-L839 HydrophobicContact CD1-CD1 4.42Å; L793-L839 HydrophobicContact CD1-CD2 4.47Å; L793-L839 HydrophobicContact CD2-CD1 4.31Å; L793-L839 HydrophobicContact CD2-CD2 3.95Å; L793-L839 HydrophobicContact CD2-CG 4.18Å; L793-Y874 HydrophobicContact CD1-CD1 3.96Å; L793-Y874 HydrophobicContact CD1-CG 4.27Å; L793-Y874 HydrophobicContact CD2-CD1 4.19Å; L793-Y874 HydrophobicContact CD2-CE1 4.28Å; L793-Y874 HydrophobicContact CG-CD1 3.86Å; L793-Y874 HydrophobicContact CG-CE1 4.45Å
794	Y	93	Very high	94.1	Very high	59 Å²	59	42.6 Å²	42.6	23%	0.231	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-96.7	16.3	-179.2	-64.4	-68.7	0	0	0	114	D792 Y874 R875 R878	D792-Y794 PolarHBondContact O-N 3.03Å; Y794-Y874 AromaticContact CD1-CD1 3.94Å; Y794-Y874 HydrophobicContact CD1-CD1 3.94Å; Y794-Y874 HydrophobicContact CD1-CE1 4.38Å; Y794-Y874 AromaticContact CE1-CD1 3.5Å; Y794-Y874 HydrophobicContact CE1-CD1 3.5Å; Y794-Y874 AromaticContact CE1-CE1 3.49Å; Y794-Y874 HydrophobicContact CE1-CE1 3.49Å; Y794-Y874 VanDerWaalsContact CE1-CE1 3.49Å; Y794-Y874 AromaticContact CZ-CE1 3.97Å; Y794-R875 HydrophobicContact CD1-CB 4.23Å; Y794-R875 WeakPolarHBondContact O-CB 3.24Å; Y794-R875 VanDerWaalsContact O-CD 3.28Å; Y794-R875 WeakPolarHBondContact O-CD 3.48Å; Y794-R878 VanDerWaalsContact CE1-NH1 3.25Å; Y794-R878 PolarHBondContact OH-NH1 3.31Å
795	T	93.9	Very high	94.7	Very high	32 Å²	32	43.4 Å²	43.4	20%	0.196	22%	0.221	C	C	.	.	S	Bend	trans	-134.8	160.6	-177.7	70.4	0	0	0	0	110.7	V574 F575 D792 C797 F798	V574-T795 HydrophobicContact CG1-CG2 4.26Å; F575-T795 HydrophobicContact CB-CG2 3.97Å; D792-T795 WeakPolarHBondContact O-CA 3.36Å; D792-T795 PolarHBondContact O-N 3.43Å; D792-T795 PolarHBondContact O-OG1 3.11Å; T795-C797 PolarHBondContact O-N 3.33Å; T795-C797 VanDerWaalsContact O-N 3.14Å; T795-C797 WeakPolarHBondContact OG1-CB 3.43Å; T795-F798 PolarHBondContact O-N 3.16Å; T795-F798 VanDerWaalsContact O-N 3.16Å
796	D	94.1	Very high	95.2	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.364	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-22.2	178.3	-48	-52.9	0	0	0	112.3	R658 F798 Y799 E800	R658-D796 IonicContact CZ-OD1 3.16Å; R658-D796 IonicContact CZ-OD2 2.75Å; R658-D796 IonicContact NH1-OD1 3.84Å; R658-D796 PolarHBondContact NH1-OD1 3.07Å; R658-D796 IonicContact NH2-OD1 3.03Å; R658-D796 PolarHBondContact NH2-OD1 3.32Å; R658-D796 IonicContact NH2-OD2 2.8Å; R658-D796 PolarHBondContact NH2-OD2 3.21Å; D796-F798 PolarHBondContact O-N 2.97Å; D796-Y799 PolarHBondContact O-N 3.47Å; D796-E800 PolarHBondContact O-N 2.87Å
797	C	96.4	Very high	95.8	Very high	33 Å²	33	40.5 Å²	40.5	22%	0.223	21%	0.207	C	C	.	.	H	α-helix	trans	-57.1	-31.2	175.3	-58.2	0	0	0	0	112.8	F575 D792 T795 Y799 E800 N801	F575-C797 HydrophobicContact CD1-CB 4.04Å; F575-C797 HydrophobicContact CE1-CB 4.26Å; D792-C797 HydrophobicContact CB-CB 4.12Å; T795-C797 PolarHBondContact O-N 3.33Å; T795-C797 VanDerWaalsContact O-N 3.14Å; T795-C797 WeakPolarHBondContact OG1-CB 3.43Å; C797-Y799 VanDerWaalsContact C-N 3.29Å; C797-Y799 PolarHBondContact O-N 2.87Å; C797-E800 PolarHBondContact O-N 3.39Å; C797-N801 WeakPolarHBondContact O-CB 3.42Å; C797-N801 PolarHBondContact O-N 3.44Å; C797-N801 PolarHBondContact O-ND2 3.03Å
798	F	97.8	Very high	96.3	Very high	1 Å²	1	44 Å²	44	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-56.3	-44.4	178.1	176.6	-95.7	0	0	0	112.4	F765 I773 P790 D792 L793 T795 D796 R802 I806 A871	F765-F798 HydrophobicContact CZ-CE1 4.28Å; I773-F798 HydrophobicContact CG1-CE2 4.44Å; I773-F798 HydrophobicContact CG1-CZ 4.05Å; P790-F798 HydrophobicContact CG-CD2 4.22Å; P790-F798 HydrophobicContact CG-CE2 4.09Å; D792-F798 WeakPolarHBondContact O-CB 3.24Å; D792-F798 WeakPolarHBondContact OD2-CA 3.39Å; L793-F798 HydrophobicContact CB-CD2 4.33Å; L793-F798 HydrophobicContact CD1-CD2 4.09Å; L793-F798 HydrophobicContact CD1-CE1 4.49Å; L793-F798 HydrophobicContact CD1-CE2 4.03Å; L793-F798 HydrophobicContact CD1-CG 4.37Å; L793-F798 HydrophobicContact CD1-CZ 4.24Å; T795-F798 PolarHBondContact O-N 3.16Å; T795-F798 VanDerWaalsContact O-N 3.16Å; D796-F798 PolarHBondContact O-N 2.97Å; F798-R802 WeakPolarHBondContact O-CB 3.37Å; F798-R802 PolarHBondContact O-NH1 3.34Å; F798-I806 HydrophobicContact CE1-CD1 4.24Å; F798-A871 HydrophobicContact CE1-CB 4.25Å
799	Y	97.8	Very high	96.7	Very high	21 Å²	21	43.7 Å²	43.7	8%	0.082	23%	0.226	C	C	.	.	H	α-helix	trans	-73.7	-44.6	177.6	-179.3	-92.8	0	0	0	111.7	D796 C797 R802 R803 I806 A871 K872	D796-Y799 PolarHBondContact O-N 3.47Å; C797-Y799 VanDerWaalsContact C-N 3.29Å; C797-Y799 PolarHBondContact O-N 2.87Å; Y799-R802 CarbonylContact O-C 3.56Å; Y799-R802 PolarHBondContact O-N 2.81Å; Y799-R803 HydrophobicContact CE1-CG 4.12Å; Y799-R803 WeakPolarHBondContact O-CA 3.41Å; Y799-R803 PolarHBondContact O-N 3.4Å; Y799-I806 HydrophobicContact CD2-CD1 3.83Å; Y799-I806 HydrophobicContact CD2-CG2 4.05Å; Y799-I806 HydrophobicContact CE2-CB 4.38Å; Y799-I806 HydrophobicContact CE2-CD1 4.48Å; Y799-I806 HydrophobicContact CE2-CG2 3.79Å; Y799-I806 HydrophobicContact CG-CD1 4.42Å; Y799-A871 HydrophobicContact CD2-CB 4.19Å; Y799-K872 HydrophobicContact CD1-CG 4.21Å; Y799-K872 HydrophobicContact CD2-CB 4.36Å; Y799-K872 HydrophobicContact CD2-CD 4.48Å; Y799-K872 HydrophobicContact CD2-CG 3.4Å; Y799-K872 HydrophobicContact CE1-CG 4.28Å; Y799-K872 HydrophobicContact CE2-CD 4.09Å; Y799-K872 HydrophobicContact CE2-CG 3.47Å; Y799-K872 VanDerWaalsContact CE2-CG 3.47Å; Y799-K872 HydrophobicContact CG-CG 3.79Å; Y799-K872 WeakPolarHBondContact OH-CE 3.38Å
800	E	97.4	Very high	96.9	Very high	99 Å²	99	43.9 Å²	43.9	46%	0.463	23%	0.226	S	C	.	.	H	α-helix	trans	-62.5	-45.8	-178.2	-66.6	-58.1	137.9	0	0	112.3	D796 C797 R802 R803	D796-E800 PolarHBondContact O-N 2.87Å; C797-E800 PolarHBondContact O-N 3.39Å; E800-R802 PolarHBondContact O-N 3.1Å; E800-R803 PolarHBondContact O-N 3.31Å; E800-R803 IonicContact OE1-CZ 3.96Å; E800-R803 IonicContact OE1-NH2 3.84Å; E800-R803 PolarHBondContact OE1-NH2 3.22Å; E800-R803 IonicContact OE2-CZ 2.93Å; E800-R803 IonicContact OE2-NE 3.75Å; E800-R803 PolarHBondContact OE2-NE 2.63Å; E800-R803 IonicContact OE2-NH2 2.68Å; E800-R803 PolarHBondContact OE2-NH2 3.22Å
801	N	97.6	Very high	97.1	Very high	71 Å²	71	49.1 Å²	49.1	38%	0.38	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.9	178.9	-67.2	-17.5	0	0	0	113.4	I778 D792 C797	I778-N801 HydrophobicContact CD1-CB 4.17Å; I778-N801 HydrophobicContact CG2-CB 3.96Å; D792-N801 PolarHBondContact OD2-ND2 3.5Å; C797-N801 WeakPolarHBondContact O-CB 3.42Å; C797-N801 PolarHBondContact O-N 3.44Å; C797-N801 PolarHBondContact O-ND2 3.03Å
802	R	98.3	Very high	97.2	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.015	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	14	-173.6	-62.9	175.9	-174.7	74	-3.8	112.9	I772 M775 I778 D792 F798 Y799 E800 E804 A805 I806	I772-R802 HydrophobicContact CG2-CB 4.27Å; I772-R802 HydrophobicContact CG2-CG 4.48Å; I772-R802 WeakPolarHBondContact O-CD 3.36Å; I772-R802 PolarHBondContact O-NE 2.98Å; M775-R802 HydrophobicContact CG-CG 4.5Å; M775-R802 HydrophobicContact SD-CB 4.37Å; M775-R802 HydrophobicContact SD-CG 3.76Å; I778-R802 HydrophobicContact CD1-CG 3.45Å; I778-R802 VanDerWaalsContact CD1-CG 3.45Å; D792-R802 VanDerWaalsContact CG-NH1 3.31Å; D792-R802 IonicContact OD1-CZ 3.08Å; D792-R802 IonicContact OD1-NH1 3.66Å; D792-R802 PolarHBondContact OD1-NH1 3.29Å; D792-R802 VanDerWaalsContact OD1-NH1 3.15Å; D792-R802 IonicContact OD1-NH2 3.46Å; D792-R802 PolarHBondContact OD1-NH2 3.19Å; D792-R802 VanDerWaalsContact OD1-NH2 3.09Å; D792-R802 IonicContact OD2-CZ 2.91Å; D792-R802 IonicContact OD2-NH1 2.94Å; D792-R802 PolarHBondContact OD2-NH1 3.12Å; D792-R802 IonicContact OD2-NH2 3.92Å; F798-R802 WeakPolarHBondContact O-CB 3.37Å; F798-R802 PolarHBondContact O-NH1 3.34Å; Y799-R802 CarbonylContact O-C 3.56Å; Y799-R802 PolarHBondContact O-N 2.81Å; E800-R802 PolarHBondContact O-N 3.1Å; R802-E804 VanDerWaalsContact C-N 3.31Å; R802-E804 PolarHBondContact O-N 3.34Å; R802-E804 VanDerWaalsContact O-N 3.15Å; R802-A805 PolarHBondContact O-N 2.99Å; R802-A805 VanDerWaalsContact O-N 3.14Å; R802-I806 HydrophobicContact CB-CD1 3.5Å; R802-I806 HydrophobicContact CB-CG1 3.87Å; R802-I806 WeakPolarHBondContact O-CG1 3.43Å; R802-I806 PolarHBondContact O-N 2.83Å
803	R	98.1	Very high	97.3	Very high	113 Å²	113	51.8 Å²	51.8	43%	0.426	27%	0.265	S	S	.	.	H	α-helix	trans	-50.2	-47.5	-165.4	178.2	-172.8	-76.8	-88.7	8.6	113.1	Y799 E800 T807	Y799-R803 HydrophobicContact CE1-CG 4.12Å; Y799-R803 WeakPolarHBondContact O-CA 3.41Å; Y799-R803 PolarHBondContact O-N 3.4Å; E800-R803 PolarHBondContact O-N 3.31Å; E800-R803 IonicContact OE1-CZ 3.96Å; E800-R803 IonicContact OE1-NH2 3.84Å; E800-R803 PolarHBondContact OE1-NH2 3.22Å; E800-R803 IonicContact OE2-CZ 2.93Å; E800-R803 IonicContact OE2-NE 3.75Å; E800-R803 PolarHBondContact OE2-NE 2.63Å; E800-R803 IonicContact OE2-NH2 2.68Å; E800-R803 PolarHBondContact OE2-NH2 3.22Å; R803-T807 WeakPolarHBondContact O-CB 3.38Å; R803-T807 PolarHBondContact O-N 2.8Å; R803-T807 PolarHBondContact O-OG1 3.27Å
804	E	98.1	Very high	97.4	Very high	162 Å²	162	54.4 Å²	54.4	76%	0.757	28%	0.283	S	S	*	.	H	α-helix	trans	-68.6	-49.5	-177.6	-60.4	-173.5	169.2	0	0	111.4	R802 I806 T807 S808	R802-E804 VanDerWaalsContact C-N 3.31Å; R802-E804 PolarHBondContact O-N 3.34Å; R802-E804 VanDerWaalsContact O-N 3.15Å; E804-I806 PolarHBondContact O-N 3.31Å; E804-T807 PolarHBondContact O-N 3.31Å; E804-S808 PolarHBondContact O-N 3.15Å; E804-S808 PolarHBondContact O-OG 3Å; E804-S808 VanDerWaalsContact O-OG 3.11Å
805	A	98.5	Very high	97.6	Very high	32 Å²	32	58.3 Å²	58.3	26%	0.264	30%	0.303	S	S	.	.	H	α-helix	trans	-59.9	-44.6	177.2	0	0	0	0	0	112.5	I772 M775 R802 S808 R809	I772-A805 HydrophobicContact CD1-CB 4.18Å; I772-A805 HydrophobicContact CG1-CB 4.21Å; I772-A805 HydrophobicContact CG2-CB 4.31Å; M775-A805 HydrophobicContact SD-CB 4.35Å; R802-A805 PolarHBondContact O-N 2.99Å; R802-A805 VanDerWaalsContact O-N 3.14Å; A805-S808 PolarHBondContact O-N 3.47Å; A805-R809 WeakPolarHBondContact O-CB 3.47Å; A805-R809 PolarHBondContact O-N 2.99Å
806	I	98.6	Very high	97.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-46.2	175.4	-66	163.4	0	0	0	110.3	M769 I772 F798 Y799 R802 E804 S808 R809 V810 A871	M769-I806 HydrophobicContact CE-CB 4.37Å; M769-I806 HydrophobicContact CE-CG1 3.79Å; M769-I806 HydrophobicContact CE-CG2 4.37Å; I772-I806 HydrophobicContact CG2-CG1 3.98Å; F798-I806 HydrophobicContact CE1-CD1 4.24Å; Y799-I806 HydrophobicContact CD2-CD1 3.83Å; Y799-I806 HydrophobicContact CD2-CG2 4.05Å; Y799-I806 HydrophobicContact CE2-CB 4.38Å; Y799-I806 HydrophobicContact CE2-CD1 4.48Å; Y799-I806 HydrophobicContact CE2-CG2 3.79Å; Y799-I806 HydrophobicContact CG-CD1 4.42Å; R802-I806 HydrophobicContact CB-CD1 3.5Å; R802-I806 HydrophobicContact CB-CG1 3.87Å; R802-I806 WeakPolarHBondContact O-CG1 3.43Å; R802-I806 PolarHBondContact O-N 2.83Å; E804-I806 PolarHBondContact O-N 3.31Å; I806-S808 PolarHBondContact O-N 3.2Å; I806-R809 PolarHBondContact O-N 3.15Å; I806-V810 HydrophobicContact CG2-CG2 4.2Å; I806-V810 WeakPolarHBondContact O-CB 3.41Å; I806-V810 VanDerWaalsContact O-CG2 3.27Å; I806-V810 WeakPolarHBondContact O-CG2 3.26Å; I806-V810 PolarHBondContact O-N 3.13Å; I806-A871 HydrophobicContact CD1-CB 4.1Å; I806-A871 HydrophobicContact CG1-CB 4.49Å; I806-A871 HydrophobicContact CG2-CB 3.8Å
807	T	98.4	Very high	97.9	Very high	67 Å²	67	56.9 Å²	56.9	41%	0.411	30%	0.301	S	S	.	.	H	α-helix	trans	-62	-44.2	179.9	-56.4	0	0	0	0	111	R803 E804 V810 Q811	R803-T807 WeakPolarHBondContact O-CB 3.38Å; R803-T807 PolarHBondContact O-N 2.8Å; R803-T807 PolarHBondContact O-OG1 3.27Å; E804-T807 PolarHBondContact O-N 3.31Å; T807-V810 PolarHBondContact O-N 3.31Å; T807-Q811 PolarHBondContact O-N 2.73Å
808	S	98.5	Very high	97.8	Very high	78 Å²	78	58 Å²	58	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-64	-40.2	176.1	-61	0	0	0	0	112.8	E804 A805 I806 Q811 L812	E804-S808 PolarHBondContact O-N 3.15Å; E804-S808 PolarHBondContact O-OG 3Å; E804-S808 VanDerWaalsContact O-OG 3.11Å; A805-S808 PolarHBondContact O-N 3.47Å; I806-S808 PolarHBondContact O-N 3.2Å; S808-Q811 PolarHBondContact O-N 2.93Å; S808-L812 WeakPolarHBondContact O-CB 3.33Å; S808-L812 PolarHBondContact O-N 2.99Å
809	R	98.4	Very high	97.7	Very high	35 Å²	35	64.4 Å²	64.4	13%	0.132	34%	0.337	C	S	.	.	H	α-helix	trans	-69	-39.8	175.7	179.7	57.6	56.7	69.3	10.1	112.3	L768 M769 D771 I772 A805 I806 L812 L813	L768-R809 PolarHBondContact O-NH1 3.28Å; M769-R809 HydrophobicContact CE-CG 4.43Å; M769-R809 HydrophobicContact SD-CB 4.18Å; M769-R809 HydrophobicContact SD-CG 3.43Å; M769-R809 WeakPolarHBondContact SD-CG 3.48Å; D771-R809 VanDerWaalsContact CG-NH2 3.34Å; D771-R809 IonicContact OD1-CZ 2.71Å; D771-R809 IonicContact OD1-NH1 3.17Å; D771-R809 PolarHBondContact OD1-NH1 2.64Å; D771-R809 IonicContact OD1-NH2 3.53Å; D771-R809 PolarHBondContact OD1-NH2 3.08Å; D771-R809 IonicContact OD2-CZ 2.77Å; D771-R809 IonicContact OD2-NH1 3.93Å; D771-R809 IonicContact OD2-NH2 3.06Å; D771-R809 PolarHBondContact OD2-NH2 2.88Å; I772-R809 HydrophobicContact CD1-CB 3.51Å; I772-R809 HydrophobicContact CD1-CG 3.93Å; A805-R809 WeakPolarHBondContact O-CB 3.47Å; A805-R809 PolarHBondContact O-N 2.99Å; I806-R809 PolarHBondContact O-N 3.15Å; R809-L812 PolarHBondContact O-N 3.19Å; R809-L813 HydrophobicContact CG-CD1 4.16Å; R809-L813 HydrophobicContact CG-CG 4.41Å; R809-L813 WeakPolarHBondContact O-CB 2.85Å; R809-L813 VanDerWaalsContact O-CG 3.25Å; R809-L813 WeakPolarHBondContact O-CG 3.27Å; R809-L813 PolarHBondContact O-N 3.01Å
810	V	98.5	Very high	97.7	Very high	21 Å²	21	66.2 Å²	66.2	13%	0.127	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-43.8	174.3	166.3	0	0	0	0	110.6	I806 T807 L813 C814 T867 D868	I806-V810 HydrophobicContact CG2-CG2 4.2Å; I806-V810 WeakPolarHBondContact O-CB 3.41Å; I806-V810 VanDerWaalsContact O-CG2 3.27Å; I806-V810 WeakPolarHBondContact O-CG2 3.26Å; I806-V810 PolarHBondContact O-N 3.13Å; T807-V810 PolarHBondContact O-N 3.31Å; V810-L813 PolarHBondContact O-N 3.02Å; V810-C814 WeakPolarHBondContact O-CB 2.92Å; V810-C814 PolarHBondContact O-N 3.06Å; V810-C814 PolarHBondContact O-SG 3.23Å; V810-T867 HydrophobicContact CG2-CG2 4.27Å; V810-D868 HydrophobicContact CG1-CB 4.01Å; V810-D868 HydrophobicContact CG2-CB 3.78Å
811	Q	98.3	Very high	97.7	Very high	111 Å²	111	61.5 Å²	61.5	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-61.9	-48.4	174.2	-175.4	176.5	-3.7	0	0	111.6	T807 S808 L813 C814 E815	T807-Q811 PolarHBondContact O-N 2.73Å; S808-Q811 PolarHBondContact O-N 2.93Å; Q811-L813 VanDerWaalsContact C-N 3.33Å; Q811-L813 PolarHBondContact O-N 3.31Å; Q811-C814 PolarHBondContact O-N 2.96Å; Q811-C814 VanDerWaalsContact O-N 3.13Å; Q811-E815 HydrophobicContact CG-CG 4.47Å; Q811-E815 WeakPolarHBondContact CG-OE1 3.44Å; Q811-E815 PolarHBondContact NE2-OE1 2.84Å; Q811-E815 PolarHBondContact O-N 3.34Å
812	L	98.1	Very high	97.6	Very high	78 Å²	78	59.2 Å²	59.2	41%	0.408	32%	0.317	S	S	.	.	H	α-helix	trans	-55.4	-46.8	176.3	176.7	63.9	0	0	0	111.8	S808 R809 C814 E815 A816 M824	S808-L812 WeakPolarHBondContact O-CB 3.33Å; S808-L812 PolarHBondContact O-N 2.99Å; R809-L812 PolarHBondContact O-N 3.19Å; L812-C814 PolarHBondContact O-N 3.01Å; L812-E815 PolarHBondContact O-N 2.94Å; L812-A816 WeakPolarHBondContact O-CB 3.32Å; L812-A816 PolarHBondContact O-N 2.78Å; L812-M824 HydrophobicContact CD2-CE 4.23Å; L812-M824 HydrophobicContact CD2-SD 4.15Å
813	L	98.1	Very high	97.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.9	-42	177.3	-71	172	0	0	0	111.6	L768 R809 V810 Q811 E815 A816 L821 M824 G860 T867	L768-L813 HydrophobicContact CB-CD2 4.44Å; L768-L813 HydrophobicContact CD1-CD2 4.24Å; L768-L813 HydrophobicContact CD2-CD2 4.1Å; L768-L813 HydrophobicContact CG-CD2 4.5Å; R809-L813 HydrophobicContact CG-CD1 4.16Å; R809-L813 HydrophobicContact CG-CG 4.41Å; R809-L813 WeakPolarHBondContact O-CB 2.85Å; R809-L813 VanDerWaalsContact O-CG 3.25Å; R809-L813 WeakPolarHBondContact O-CG 3.27Å; R809-L813 PolarHBondContact O-N 3.01Å; V810-L813 PolarHBondContact O-N 3.02Å; Q811-L813 VanDerWaalsContact C-N 3.33Å; Q811-L813 PolarHBondContact O-N 3.31Å; L813-E815 VanDerWaalsContact C-N 3.31Å; L813-E815 PolarHBondContact O-N 2.85Å; L813-A816 PolarHBondContact O-N 2.64Å; L813-L821 HydrophobicContact CD2-CD2 3.58Å; L813-M824 HydrophobicContact CD2-CE 4.09Å; L813-G860 CarbonylContact C-O 3.52Å; L813-G860 CarbonylContact O-C 3.42Å; L813-G860 WeakPolarHBondContact O-CA 3.33Å; L813-T867 HydrophobicContact CD1-CG2 3.94Å
814	C	97.5	Very high	97.5	Very high	57 Å²	57	57.4 Å²	57.4	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-65.2	-30.8	177.6	-73.2	0	0	0	0	113.9	V810 Q811 L812	V810-C814 WeakPolarHBondContact O-CB 2.92Å; V810-C814 PolarHBondContact O-N 3.06Å; V810-C814 PolarHBondContact O-SG 3.23Å; Q811-C814 PolarHBondContact O-N 2.96Å; Q811-C814 VanDerWaalsContact O-N 3.13Å; L812-C814 PolarHBondContact O-N 3.01Å
815	E	96.9	Very high	97.5	Very high	141 Å²	141	49.7 Å²	49.7	66%	0.659	29%	0.286	S	S	*	.	H	α-helix	trans	-96.5	-10	-178.6	-66.7	175	-164.8	0	0	113.4	Q811 L812 L813	Q811-E815 HydrophobicContact CG-CG 4.47Å; Q811-E815 WeakPolarHBondContact CG-OE1 3.44Å; Q811-E815 PolarHBondContact NE2-OE1 2.84Å; Q811-E815 PolarHBondContact O-N 3.34Å; L812-E815 PolarHBondContact O-N 2.94Å; L813-E815 VanDerWaalsContact C-N 3.31Å; L813-E815 PolarHBondContact O-N 2.85Å
816	A	96.7	Very high	97.4	Very high	18 Å²	18	52.3 Å²	52.3	15%	0.149	29%	0.293	C	S	.	.			trans	-72	141.6	-174.7	0	0	0	0	0	113.9	L812 L813 T820 L821	L812-A816 WeakPolarHBondContact O-CB 3.32Å; L812-A816 PolarHBondContact O-N 2.78Å; L813-A816 PolarHBondContact O-N 2.64Å; A816-T820 HydrophobicContact CB-CG2 3.9Å; A816-L821 HydrophobicContact CB-CD2 3.84Å; A816-L821 HydrophobicContact CB-CG 3.82Å
817	S	96.9	Very high	97.4	Very high	52 Å²	52	57.4 Å²	57.4	36%	0.364	32%	0.32	S	S	.	.			trans	-75.9	167.2	167.4	82.8	0	0	0	0	111.6	E819 T820 L821	S817-E819 WeakPolarHBondContact CB-OE2 3.49Å; S817-E819 PolarHBondContact O-N 2.88Å; S817-E819 PolarHBondContact OG-N 3.5Å; S817-E819 PolarHBondContact OG-OE2 2.71Å; S817-T820 PolarHBondContact O-N 3.03Å; S817-T820 PolarHBondContact OG-N 2.88Å; S817-T820 PolarHBondContact OG-OG1 2.81Å; S817-L821 WeakPolarHBondContact O-CG 3.37Å; S817-L821 PolarHBondContact O-N 2.78Å
818	V	95.3	Very high	97.3	Very high	58 Å²	58	55.3 Å²	55.3	35%	0.352	31%	0.307	S	S	.	.	H	α-helix	trans	-59.9	-36.9	178.2	172.7	0	0	0	0	111.3	L821 S822 A856	V818-L821 PolarHBondContact O-N 3.2Å; V818-S822 VanDerWaalsContact O-CB 3.27Å; V818-S822 WeakPolarHBondContact O-CB 3.49Å; V818-S822 PolarHBondContact O-N 2.91Å; V818-S822 PolarHBondContact O-OG 3.14Å; V818-A856 HydrophobicContact CG1-CB 3.48Å; V818-A856 VanDerWaalsContact CG1-CB 3.48Å
819	E	96.8	Very high	97.2	Very high	135 Å²	135	52.4 Å²	52.4	63%	0.631	29%	0.285	S	S	*	.	H	α-helix	trans	-65.4	-46.5	177	-54.8	72.5	-158.3	0	0	110.9	S817 L821 S822 A823	S817-E819 WeakPolarHBondContact CB-OE2 3.49Å; S817-E819 PolarHBondContact O-N 2.88Å; S817-E819 PolarHBondContact OG-N 3.5Å; S817-E819 PolarHBondContact OG-OE2 2.71Å; E819-L821 PolarHBondContact O-N 2.95Å; E819-S822 PolarHBondContact O-N 3.39Å; E819-A823 WeakPolarHBondContact O-CB 3.47Å; E819-A823 PolarHBondContact O-N 3.18Å
820	T	97	Very high	97.1	Very high	58 Å²	58	55.4 Å²	55.4	36%	0.356	31%	0.307	S	S	.	.	H	α-helix	trans	-60.9	-45.4	175.8	-59.9	0	0	0	0	111.7	A816 S817 S822 A823 M824	A816-T820 HydrophobicContact CB-CG2 3.9Å; S817-T820 PolarHBondContact O-N 3.03Å; S817-T820 PolarHBondContact OG-N 2.88Å; S817-T820 PolarHBondContact OG-OG1 2.81Å; T820-S822 VanDerWaalsContact C-N 3.32Å; T820-S822 PolarHBondContact O-N 3.27Å; T820-A823 PolarHBondContact O-N 3.43Å; T820-M824 HydrophobicContact CG2-SD 4.23Å; T820-M824 VanDerWaalsContact O-CG 3.31Å; T820-M824 WeakPolarHBondContact O-CG 3.07Å; T820-M824 PolarHBondContact O-N 2.86Å
821	L	96.7	Very high	97	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-39.9	176.3	-66.2	167.4	0	0	0	111.5	L813 A816 S817 V818 E819 L825 I855 L863	L813-L821 HydrophobicContact CD2-CD2 3.58Å; A816-L821 HydrophobicContact CB-CD2 3.84Å; A816-L821 HydrophobicContact CB-CG 3.82Å; S817-L821 WeakPolarHBondContact O-CG 3.37Å; S817-L821 PolarHBondContact O-N 2.78Å; V818-L821 PolarHBondContact O-N 3.2Å; E819-L821 PolarHBondContact O-N 2.95Å; L821-L825 WeakPolarHBondContact O-CB 3.45Å; L821-L825 PolarHBondContact O-N 2.74Å; L821-L825 VanDerWaalsContact O-N 3.08Å; L821-I855 HydrophobicContact CB-CD1 4.04Å; L821-I855 WeakPolarHBondContact O-CD1 3.23Å; L821-L863 HydrophobicContact CD1-CD1 4.25Å; L821-L863 HydrophobicContact CD2-CD1 4.43Å
822	S	96.9	Very high	96.9	Very high	22 Å²	22	53.5 Å²	53.5	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-69.5	-38.1	-179.7	-59.5	0	0	0	0	112.6	V818 E819 T820 L825 E826 Q852	V818-S822 VanDerWaalsContact O-CB 3.27Å; V818-S822 WeakPolarHBondContact O-CB 3.49Å; V818-S822 PolarHBondContact O-N 2.91Å; V818-S822 PolarHBondContact O-OG 3.14Å; E819-S822 PolarHBondContact O-N 3.39Å; T820-S822 VanDerWaalsContact C-N 3.32Å; T820-S822 PolarHBondContact O-N 3.27Å; S822-L825 PolarHBondContact O-N 2.87Å; S822-E826 VanDerWaalsContact O-CB 3.31Å; S822-E826 WeakPolarHBondContact O-CB 3.39Å; S822-E826 PolarHBondContact O-N 3.4Å; S822-Q852 PolarHBondContact O-NE2 3.26Å; S822-Q852 VanDerWaalsContact O-NE2 3.17Å
823	A	97.4	Very high	96.6	Very high	47 Å²	47	55.7 Å²	55.7	39%	0.388	31%	0.312	S	S	.	.	H	α-helix	trans	-66.8	-48.3	173.6	0	0	0	0	0	111.5	E819 T820 L825 E826 D827	E819-A823 WeakPolarHBondContact O-CB 3.47Å; E819-A823 PolarHBondContact O-N 3.18Å; T820-A823 PolarHBondContact O-N 3.43Å; A823-L825 PolarHBondContact O-N 3.35Å; A823-E826 PolarHBondContact O-N 3.41Å; A823-D827 PolarHBondContact O-N 2.89Å
824	M	96.8	Very high	96.1	Very high	33 Å²	33	57 Å²	57	16%	0.163	33%	0.325	C	S	.	.	H	α-helix	trans	-56.2	-36.9	175.2	-73.9	176	64	0	0	112.5	L812 L813 T820 V828	L812-M824 HydrophobicContact CD2-CE 4.23Å; L812-M824 HydrophobicContact CD2-SD 4.15Å; L813-M824 HydrophobicContact CD2-CE 4.09Å; T820-M824 HydrophobicContact CG2-SD 4.23Å; T820-M824 VanDerWaalsContact O-CG 3.31Å; T820-M824 WeakPolarHBondContact O-CG 3.07Å; T820-M824 PolarHBondContact O-N 2.86Å; M824-V828 WeakPolarHBondContact O-CG2 3.44Å
825	L	96.9	Very high	95.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.5	-40.1	176.1	-160	81	0	0	0	112	L764 L767 L768 L821 S822 A823 W829 L848 A851 Q852 I855	L764-L825 HydrophobicContact CD2-CD1 4.4Å; L767-L825 HydrophobicContact CB-CD1 3.81Å; L767-L825 HydrophobicContact CD1-CD1 3.77Å; L767-L825 HydrophobicContact CD1-CG 4.46Å; L767-L825 HydrophobicContact CG-CD1 4.43Å; L768-L825 HydrophobicContact CD2-CD1 4.38Å; L821-L825 WeakPolarHBondContact O-CB 3.45Å; L821-L825 PolarHBondContact O-N 2.74Å; L821-L825 VanDerWaalsContact O-N 3.08Å; S822-L825 PolarHBondContact O-N 2.87Å; A823-L825 PolarHBondContact O-N 3.35Å; L825-W829 VanDerWaalsContact O-CB 3.25Å; L825-W829 WeakPolarHBondContact O-CB 3.35Å; L825-W829 PolarHBondContact O-N 2.78Å; L825-L848 HydrophobicContact CD2-CD1 4Å; L825-L848 HydrophobicContact CG-CD1 4.28Å; L825-A851 HydrophobicContact CD2-CB 3.61Å; L825-Q852 HydrophobicContact CD2-CG 4.11Å; L825-I855 HydrophobicContact CB-CD1 3.88Å; L825-I855 HydrophobicContact CD2-CD1 3.8Å; L825-I855 HydrophobicContact CD2-CG1 4.49Å; L825-I855 HydrophobicContact CG-CD1 4.28Å
826	E	97.8	Very high	95.5	Very high	86 Å²	86	50.8 Å²	50.8	40%	0.402	29%	0.292	S	S	.	.	H	α-helix	trans	-70	-41.5	-179.7	-178	155.3	178.4	0	0	112.7	S822 A823 V828 W829 T830 L848 Q852	S822-E826 VanDerWaalsContact O-CB 3.31Å; S822-E826 WeakPolarHBondContact O-CB 3.39Å; S822-E826 PolarHBondContact O-N 3.4Å; A823-E826 PolarHBondContact O-N 3.41Å; E826-V828 VanDerWaalsContact C-N 3.35Å; E826-V828 PolarHBondContact O-N 3.4Å; E826-W829 PolarHBondContact O-N 2.93Å; E826-T830 HydrophobicContact CG-CG2 4.15Å; E826-T830 WeakPolarHBondContact O-CB 3.38Å; E826-T830 VanDerWaalsContact O-CG2 3.29Å; E826-T830 WeakPolarHBondContact O-CG2 3.44Å; E826-T830 PolarHBondContact O-N 2.75Å; E826-T830 PolarHBondContact O-OG1 2.82Å; E826-L848 HydrophobicContact CB-CD2 3.98Å; E826-L848 HydrophobicContact CG-CD2 3.71Å; E826-Q852 PolarHBondContact OE2-NE2 3.45Å
827	D	97.1	Very high	95.2	Very high	107 Å²	107	50.4 Å²	50.4	57%	0.572	29%	0.289	S	S	*	.	H	α-helix	trans	-57.9	-46.4	175.1	-72.4	-27.6	0	0	0	111.3	A823 T830 S831	A823-D827 PolarHBondContact O-N 2.89Å; D827-T830 PolarHBondContact O-OG1 3.23Å; D827-S831 VanDerWaalsContact O-CB 3.31Å; D827-S831 WeakPolarHBondContact O-CB 2.98Å; D827-S831 PolarHBondContact O-N 3.03Å; D827-S831 PolarHBondContact O-OG 2.68Å
828	V	97.3	Very high	94.9	Very high	24 Å²	24	50 Å²	50	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-74.4	-37.8	179.1	179	0	0	0	0	111.3	L767 W770 M824 E826 Q832	L767-V828 HydrophobicContact CB-CG1 4.47Å; L767-V828 HydrophobicContact CD2-CG1 3.75Å; W770-V828 HydrophobicContact CB-CG1 3.72Å; W770-V828 HydrophobicContact CB-CG2 4.3Å; W770-V828 HydrophobicContact CD2-CG1 4.14Å; W770-V828 HydrophobicContact CE3-CG1 4.3Å; W770-V828 HydrophobicContact CG-CG1 3.9Å; M824-V828 WeakPolarHBondContact O-CG2 3.44Å; E826-V828 VanDerWaalsContact C-N 3.35Å; E826-V828 PolarHBondContact O-N 3.4Å; V828-Q832 HydrophobicContact CG1-CB 4.48Å; V828-Q832 HydrophobicContact CG1-CG 4Å; V828-Q832 WeakPolarHBondContact O-CB 3.47Å; V828-Q832 VanDerWaalsContact O-CG 3.25Å; V828-Q832 WeakPolarHBondContact O-CG 3.32Å; V828-Q832 PolarHBondContact O-N 2.85Å
829	W	96.8	Very high	94.8	Very high	17 Å²	17	47.5 Å²	47.5	6%	0.064	27%	0.27	C	S	.	.	H	α-helix	trans	-62.6	-54.2	176.4	-165	-61.9	0	0	0	110.7	L767 L825 E826 S831 Q832 E833 W842 F845 L848 A851	L767-W829 HydrophobicContact CD1-CE3 4.16Å; L767-W829 HydrophobicContact CD1-CZ3 4.33Å; L825-W829 VanDerWaalsContact O-CB 3.25Å; L825-W829 WeakPolarHBondContact O-CB 3.35Å; L825-W829 PolarHBondContact O-N 2.78Å; E826-W829 PolarHBondContact O-N 2.93Å; W829-S831 VanDerWaalsContact C-N 3.3Å; W829-S831 PolarHBondContact O-N 2.68Å; W829-Q832 PolarHBondContact O-N 3.17Å; W829-E833 PolarHBondContact NE1-OE1 2.97Å; W829-E833 VanDerWaalsContact O-CB 3.22Å; W829-E833 WeakPolarHBondContact O-CB 3.45Å; W829-E833 PolarHBondContact O-N 3.18Å; W829-W842 HydrophobicContact CD2-CE3 4.31Å; W829-W842 HydrophobicContact CD2-CZ3 4Å; W829-W842 HydrophobicContact CE3-CZ3 4.28Å; W829-W842 HydrophobicContact CG-CZ3 4.13Å; W829-W842 HydrophobicContact CZ2-CE3 4.29Å; W829-F845 HydrophobicContact CH2-CB 4.09Å; W829-F845 HydrophobicContact CH2-CD2 4.48Å; W829-F845 HydrophobicContact CZ3-CB 4.41Å; W829-F845 HydrophobicContact CZ3-CD2 4.19Å; W829-L848 HydrophobicContact CB-CD1 3.91Å; W829-L848 HydrophobicContact CD2-CB 4.05Å; W829-L848 HydrophobicContact CD2-CD1 4.01Å; W829-L848 HydrophobicContact CE3-CB 4.4Å; W829-L848 HydrophobicContact CE3-CD1 3.95Å; W829-L848 HydrophobicContact CG-CB 4.26Å; W829-L848 HydrophobicContact CG-CD1 4.01Å; W829-L848 HydrophobicContact CG-CG 4.49Å; W829-A851 HydrophobicContact CZ3-CB 4.1Å
830	T	96	Very high	94.7	Very high	97 Å²	97	41.5 Å²	41.5	60%	0.595	24%	0.243	S	C	*	.	H	α-helix	trans	-66	-29.5	-175.1	56.4	0	0	0	0	113.5	E826 D827	E826-T830 HydrophobicContact CG-CG2 4.15Å; E826-T830 WeakPolarHBondContact O-CB 3.38Å; E826-T830 VanDerWaalsContact O-CG2 3.29Å; E826-T830 WeakPolarHBondContact O-CG2 3.44Å; E826-T830 PolarHBondContact O-N 2.75Å; E826-T830 PolarHBondContact O-OG1 2.82Å; D827-T830 PolarHBondContact O-OG1 3.23Å
831	S	95.5	Very high	94.5	Very high	64 Å²	64	41.3 Å²	41.3	45%	0.448	24%	0.244	S	C	.	.	H	α-helix	trans	-93.9	-16.3	-179.8	66.3	0	0	0	0	115.3	D827 W829	D827-S831 VanDerWaalsContact O-CB 3.31Å; D827-S831 WeakPolarHBondContact O-CB 2.98Å; D827-S831 PolarHBondContact O-N 3.03Å; D827-S831 PolarHBondContact O-OG 2.68Å; W829-S831 VanDerWaalsContact C-N 3.3Å; W829-S831 PolarHBondContact O-N 2.68Å
832	Q	96.1	Very high	94.3	Very high	28 Å²	28	42.2 Å²	42.2	13%	0.131	25%	0.247	C	C	.	.	H	α-helix	trans	-126.7	-5.3	-172.9	-42.5	-60.8	-43.5	0	0	114.9	W770 V828 W829 G834 K835 W842	W770-Q832 HydrophobicContact CD2-CB 4.38Å; W770-Q832 HydrophobicContact CD2-CG 4.07Å; W770-Q832 HydrophobicContact CG-CG 4.34Å; W770-Q832 HydrophobicContact CH2-CB 4.02Å; W770-Q832 HydrophobicContact CZ2-CB 3.71Å; W770-Q832 HydrophobicContact CZ2-CG 3.92Å; W770-Q832 HydrophobicContact CZ3-CB 4.47Å; V828-Q832 HydrophobicContact CG1-CB 4.48Å; V828-Q832 HydrophobicContact CG1-CG 4Å; V828-Q832 WeakPolarHBondContact O-CB 3.47Å; V828-Q832 VanDerWaalsContact O-CG 3.25Å; V828-Q832 WeakPolarHBondContact O-CG 3.32Å; V828-Q832 PolarHBondContact O-N 2.85Å; W829-Q832 PolarHBondContact O-N 3.17Å; Q832-G834 PolarHBondContact O-N 3.06Å; Q832-K835 HydrophobicContact CB-CD 4.31Å; Q832-K835 VanDerWaalsContact O-CB 3.29Å; Q832-K835 WeakPolarHBondContact O-CB 3.42Å; Q832-K835 WeakPolarHBondContact O-CG 3.29Å; Q832-K835 PolarHBondContact O-N 3.15Å; Q832-W842 VanDerWaalsContact C-CZ2 3.49Å; Q832-W842 HydrophobicContact CB-CH2 4.08Å; Q832-W842 HydrophobicContact CB-CZ2 4.12Å; Q832-W842 WeakPolarHBondContact O-CZ2 3.45Å
833	E	93.2	Very high	94	Very high	124 Å²	124	48.1 Å²	48.1	58%	0.579	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	130.3	-178.8	-179.7	172.3	-119.9	0	0	112.4	W829 K835 W842	W829-E833 PolarHBondContact NE1-OE1 2.97Å; W829-E833 VanDerWaalsContact O-CB 3.22Å; W829-E833 WeakPolarHBondContact O-CB 3.45Å; W829-E833 PolarHBondContact O-N 3.18Å; E833-K835 VanDerWaalsContact C-N 3.33Å; E833-K835 PolarHBondContact O-N 2.89Å; E833-W842 HydrophobicContact CB-CE3 4.3Å; E833-W842 HydrophobicContact CB-CZ3 4.25Å; E833-W842 HydrophobicContact CG-CE3 4.28Å
834	G	86.4	Confident	93.9	Very high	28 Å²	28	49.4 Å²	49.4	29%	0.289	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	-11	-177.9	0	0	0	0	0	115.6	Q832	Q832-G834 PolarHBondContact O-N 3.06Å
835	K	91.9	Very high	93.8	Very high	33 Å²	33	48.2 Å²	48.2	14%	0.143	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-70.4	139.8	173	-65.2	-178.1	-172.3	175.6	0	111.4	A502 D505 W770 Q832 E833 C837 W842	A502-K835 HydrophobicContact CB-CG 3.87Å; A502-K835 CarbonylContact O-C 3.3Å; A502-K835 VanDerWaalsContact O-CA 3.29Å; A502-K835 WeakPolarHBondContact O-CA 3.02Å; D505-K835 IonicContact OD2-NZ 3.76Å; D505-K835 PolarHBondContact OD2-NZ 3.46Å; W770-K835 HydrophobicContact CH2-CB 4.04Å; W770-K835 HydrophobicContact CZ2-CB 4.22Å; W770-K835 HydrophobicContact CZ2-CD 4.31Å; Q832-K835 HydrophobicContact CB-CD 4.31Å; Q832-K835 VanDerWaalsContact O-CB 3.29Å; Q832-K835 WeakPolarHBondContact O-CB 3.42Å; Q832-K835 WeakPolarHBondContact O-CG 3.29Å; Q832-K835 PolarHBondContact O-N 3.15Å; E833-K835 VanDerWaalsContact C-N 3.33Å; E833-K835 PolarHBondContact O-N 2.89Å; K835-C837 PolarHBondContact O-N 3Å; K835-W842 PolarHBondContact O-NE1 3.19Å
836	V	89.2	Confident	93.6	Very high	35 Å²	35	52.9 Å²	52.9	21%	0.212	29%	0.294	C	S	.	.			trans	-82.3	98.9	-173.8	-168.5	0	0	0	0	111.5	L501 A502 F503 P504 T788	L501-V836 HydrophobicContact CD1-CG2 3.37Å; L501-V836 HydrophobicContact CD2-CG2 4.32Å; L501-V836 HydrophobicContact CG-CG2 3.57Å; A502-V836 PolarHBondContact O-N 3.23Å; F503-V836 HydrophobicContact CD1-CB 4.48Å; F503-V836 HydrophobicContact CE1-CB 4.4Å; P504-V836 WeakPolarHBondContact CD-O 3.33Å; T788-V836 WeakPolarHBondContact CA-O 3.49Å; T788-V836 HydrophobicContact CG2-CB 4.2Å; T788-V836 HydrophobicContact CG2-CG1 3.48Å; T788-V836 VanDerWaalsContact CG2-CG1 3.48Å
837	C	92	Very high	93.5	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.068	29%	0.288	C	S	.	.			trans	-111.3	136.3	170	178.4	0	0	0	0	110.5	W770 F774 T788 K835 L839 V840	W770-C837 HydrophobicContact CE3-CB 4.49Å; W770-C837 HydrophobicContact CH2-CB 3.78Å; W770-C837 HydrophobicContact CZ3-CB 3.53Å; F774-C837 HydrophobicContact CZ-CB 4.33Å; T788-C837 CarbonylContact O-C 3.53Å; T788-C837 VanDerWaalsContact O-CA 3.31Å; T788-C837 WeakPolarHBondContact O-CA 3.13Å; K835-C837 PolarHBondContact O-N 3Å; C837-L839 PolarHBondContact O-N 3.36Å; C837-L839 PolarHBondContact SG-N 3.45Å; C837-V840 HydrophobicContact CB-CB 4.12Å; C837-V840 HydrophobicContact CB-CG2 4.22Å; C837-V840 PolarHBondContact O-N 2.93Å
838	S	89.4	Confident	93.5	Very high	44 Å²	44	46.3 Å²	46.3	31%	0.308	27%	0.265	S	S	.	.	S	Bend	trans	-69.5	-2	179.2	80.9	0	0	0	0	114.4	T788 C789	T788-S838 PolarHBondContact O-N 3.32Å; C789-S838 WeakPolarHBondContact CB-OG 3.3Å
839	L	93.7	Very high	93.4	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.021	28%	0.284	C	S	.	.	S	Bend	trans	-104.3	-37.5	178.8	-58.9	170.6	0	0	0	111.6	S762 T763 F765 I773 L793 C837 Y874	S762-L839 CarbonylContact C-O 3.59Å; S762-L839 VanDerWaalsContact O-O 3.14Å; T763-L839 WeakPolarHBondContact CA-O 3.16Å; T763-L839 PolarHBondContact N-O 3.49Å; F765-L839 HydrophobicContact CD1-CD1 4.04Å; F765-L839 HydrophobicContact CD1-CD2 4.29Å; F765-L839 HydrophobicContact CE1-CD1 4Å; F765-L839 HydrophobicContact CE1-CD2 4.46Å; I773-L839 HydrophobicContact CD1-CD1 3.42Å; I773-L839 VanDerWaalsContact CD1-CD1 3.42Å; I773-L839 HydrophobicContact CG1-CD1 4.1Å; I773-L839 HydrophobicContact CG2-CD1 4.32Å; L793-L839 HydrophobicContact CD1-CD1 4.42Å; L793-L839 HydrophobicContact CD1-CD2 4.47Å; L793-L839 HydrophobicContact CD2-CD1 4.31Å; L793-L839 HydrophobicContact CD2-CD2 3.95Å; L793-L839 HydrophobicContact CD2-CG 4.18Å; C837-L839 PolarHBondContact O-N 3.36Å; C837-L839 PolarHBondContact SG-N 3.45Å; L839-Y874 HydrophobicContact CD2-CD1 4.07Å; L839-Y874 HydrophobicContact CD2-CD2 4.38Å; L839-Y874 HydrophobicContact CD2-CE1 3.33Å; L839-Y874 HydrophobicContact CD2-CE2 3.73Å; L839-Y874 VanDerWaalsContact CD2-OH 3.29Å; L839-Y874 WeakPolarHBondContact CD2-OH 3.1Å
840	V	95.1	Very high	93.4	Very high	9 Å²	9	51.4 Å²	51.4	6%	0.055	29%	0.287	C	S	.	.			trans	-99.3	112.1	-168.5	-178.6	0	0	0	0	110.7	T763 L767 W770 C837 W842	T763-V840 HydrophobicContact CG2-CG1 4.01Å; L767-V840 HydrophobicContact CD2-CG1 3.97Å; L767-V840 HydrophobicContact CD2-CG2 4.3Å; L767-V840 HydrophobicContact CG-CG1 4.25Å; L767-V840 HydrophobicContact CG-CG2 4.25Å; W770-V840 HydrophobicContact CE3-CG2 4.11Å; W770-V840 HydrophobicContact CZ3-CB 4.36Å; W770-V840 HydrophobicContact CZ3-CG2 3.89Å; C837-V840 HydrophobicContact CB-CB 4.12Å; C837-V840 HydrophobicContact CB-CG2 4.22Å; C837-V840 PolarHBondContact O-N 2.93Å; V840-W842 HydrophobicContact CG1-CD2 3.76Å; V840-W842 HydrophobicContact CG1-CE3 4.03Å; V840-W842 HydrophobicContact CG1-CG 4.33Å; V840-W842 HydrophobicContact CG1-CH2 4.01Å; V840-W842 HydrophobicContact CG1-CZ2 3.73Å; V840-W842 HydrophobicContact CG1-CZ3 4.16Å
841	S	92.9	Very high	93.5	Very high	54 Å²	54	46.8 Å²	46.8	38%	0.378	26%	0.259	S	S	.	.			trans	-96.5	97.4	168.2	-65	0	0	0	0	109	T763 E843 R844	T763-S841 PolarHBondContact OG1-N 2.92Å; S841-E843 PolarHBondContact O-N 3.36Å; S841-E843 VanDerWaalsContact O-N 3.15Å; S841-R844 WeakPolarHBondContact O-CB 3.36Å; S841-R844 PolarHBondContact O-N 3.25Å
842	W	91.3	Very high	93.6	Very high	21 Å²	21	45.1 Å²	45.1	8%	0.08	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-54.9	-34.5	-177.8	-63.8	109.2	0	0	0	113.4	L767 W770 W829 Q832 E833 K835 V840 R844	L767-W842 HydrophobicContact CD2-CH2 3.6Å; L767-W842 HydrophobicContact CD2-CZ3 3.73Å; W770-W842 HydrophobicContact CH2-CZ2 4.33Å; W770-W842 HydrophobicContact CZ3-CZ2 4.15Å; W829-W842 HydrophobicContact CD2-CE3 4.31Å; W829-W842 HydrophobicContact CD2-CZ3 4Å; W829-W842 HydrophobicContact CE3-CZ3 4.28Å; W829-W842 HydrophobicContact CG-CZ3 4.13Å; W829-W842 HydrophobicContact CZ2-CE3 4.29Å; Q832-W842 VanDerWaalsContact C-CZ2 3.49Å; Q832-W842 HydrophobicContact CB-CH2 4.08Å; Q832-W842 HydrophobicContact CB-CZ2 4.12Å; Q832-W842 WeakPolarHBondContact O-CZ2 3.45Å; E833-W842 HydrophobicContact CB-CE3 4.3Å; E833-W842 HydrophobicContact CB-CZ3 4.25Å; E833-W842 HydrophobicContact CG-CE3 4.28Å; K835-W842 PolarHBondContact O-NE1 3.19Å; V840-W842 HydrophobicContact CG1-CD2 3.76Å; V840-W842 HydrophobicContact CG1-CE3 4.03Å; V840-W842 HydrophobicContact CG1-CG 4.33Å; V840-W842 HydrophobicContact CG1-CH2 4.01Å; V840-W842 HydrophobicContact CG1-CZ2 3.73Å; V840-W842 HydrophobicContact CG1-CZ3 4.16Å; W842-R844 PolarHBondContact O-N 2.87Å
843	E	91.7	Very high	93.6	Very high	146 Å²	146	45.3 Å²	45.3	68%	0.682	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-78.2	3.9	176.5	-57.6	-178.2	179.3	0	0	114.4	S841	S841-E843 PolarHBondContact O-N 3.36Å; S841-E843 VanDerWaalsContact O-N 3.15Å
844	R	94.6	Very high	93.8	Very high	73 Å²	73	39.4 Å²	39.4	28%	0.275	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-72.6	-30.3	-179.8	177.6	51.7	58.9	-148	2.4	112.9	H755 S759 T763 S841 W842	H755-R844 PolarHBondContact O-NH1 3.22Å; S759-R844 VanDerWaalsContact OG-CZ 3.23Å; S759-R844 PolarHBondContact OG-NE 3.49Å; S759-R844 PolarHBondContact OG-NH2 3.4Å; T763-R844 HydrophobicContact CG2-CB 4.48Å; S841-R844 WeakPolarHBondContact O-CB 3.36Å; S841-R844 PolarHBondContact O-N 3.25Å; W842-R844 PolarHBondContact O-N 2.87Å
845	F	94.8	Very high	94.3	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.035	21%	0.207	C	C	.	.	S	Bend	trans	-111.8	143.8	174.4	-60.3	-80.9	0	0	0	108.8	I754 T760 T763 L764 W829 S847 A851 L854	I754-F845 HydrophobicContact CD1-CD1 3.47Å; I754-F845 VanDerWaalsContact CD1-CD1 3.47Å; I754-F845 HydrophobicContact CD1-CE1 3.54Å; T760-F845 HydrophobicContact CG2-CE1 4.33Å; T760-F845 HydrophobicContact CG2-CZ 4.04Å; T763-F845 HydrophobicContact CG2-CD2 4.23Å; T763-F845 HydrophobicContact CG2-CE2 3.82Å; L764-F845 HydrophobicContact CD2-CE2 4.1Å; L764-F845 HydrophobicContact CD2-CZ 3.76Å; L764-F845 HydrophobicContact CG-CE2 4.46Å; L764-F845 HydrophobicContact CG-CZ 3.99Å; W829-F845 HydrophobicContact CH2-CB 4.09Å; W829-F845 HydrophobicContact CH2-CD2 4.48Å; W829-F845 HydrophobicContact CZ3-CB 4.41Å; W829-F845 HydrophobicContact CZ3-CD2 4.19Å; F845-S847 PolarHBondContact O-N 3.04Å; F845-A851 HydrophobicContact CB-CB 4.13Å; F845-A851 HydrophobicContact CD1-CB 3.78Å; F845-A851 HydrophobicContact CD2-CB 3.85Å; F845-A851 HydrophobicContact CE1-CB 4.13Å; F845-A851 HydrophobicContact CE2-CB 4.18Å; F845-A851 HydrophobicContact CG-CB 3.64Å; F845-A851 HydrophobicContact CZ-CB 4.31Å; F845-L854 HydrophobicContact CE1-CD2 3.81Å; F845-L854 HydrophobicContact CZ-CD2 4.26Å
846	S	93.4	Very high	94.5	Very high	99 Å²	99	37.5 Å²	37.5	69%	0.692	21%	0.208	S	C	*	.	S	Bend	trans	-70.9	-21.3	177.4	59.6	0	0	0	0	113.2	Q850	S846-Q850 PolarHBondContact OG-OE1 3.24Å
847	S	95.4	Very high	94.9	Very high	40 Å²	40	36.3 Å²	36.3	28%	0.28	20%	0.202	S	C	.	.	S	Bend	trans	-163.1	164.2	175	65.9	0	0	0	0	111.2	F845 Q849 Q850 A851	F845-S847 PolarHBondContact O-N 3.04Å; S847-Q849 PolarHBondContact O-N 2.85Å; S847-Q849 PolarHBondContact OG-N 3.24Å; S847-Q849 PolarHBondContact OG-OE1 3.35Å; S847-Q850 PolarHBondContact O-N 3.35Å; S847-Q850 PolarHBondContact OG-N 3.22Å; S847-Q850 VanDerWaalsContact OG-N 3.11Å; S847-A851 PolarHBondContact O-N 2.83Å
848	L	96	Very high	95.1	Very high	15 Å²	15	36.1 Å²	36.1	8%	0.079	20%	0.2	C	C	.	.	H	α-helix	trans	-52.9	-40.5	166.5	172.2	61	0	0	0	111.4	L825 E826 W829 Q850 A851 Q852	L825-L848 HydrophobicContact CD2-CD1 4Å; L825-L848 HydrophobicContact CG-CD1 4.28Å; E826-L848 HydrophobicContact CB-CD2 3.98Å; E826-L848 HydrophobicContact CG-CD2 3.71Å; W829-L848 HydrophobicContact CB-CD1 3.91Å; W829-L848 HydrophobicContact CD2-CB 4.05Å; W829-L848 HydrophobicContact CD2-CD1 4.01Å; W829-L848 HydrophobicContact CE3-CB 4.4Å; W829-L848 HydrophobicContact CE3-CD1 3.95Å; W829-L848 HydrophobicContact CG-CB 4.26Å; W829-L848 HydrophobicContact CG-CD1 4.01Å; W829-L848 HydrophobicContact CG-CG 4.49Å; L848-Q850 VanDerWaalsContact C-N 3.32Å; L848-Q850 PolarHBondContact O-N 3.3Å; L848-A851 CarbonylContact O-C 3.49Å; L848-A851 WeakPolarHBondContact O-CB 2.99Å; L848-A851 PolarHBondContact O-N 3.15Å; L848-A851 VanDerWaalsContact O-N 3.09Å; L848-Q852 HydrophobicContact CD1-CG 3.96Å; L848-Q852 HydrophobicContact CG-CG 4.22Å; L848-Q852 WeakPolarHBondContact O-CB 3.49Å; L848-Q852 WeakPolarHBondContact O-CG 3.48Å; L848-Q852 PolarHBondContact O-N 3.31Å
849	Q	96.6	Very high	95.4	Very high	118 Å²	118	35 Å²	35	55%	0.551	20%	0.196	S	C	*	.	H	α-helix	trans	-64.7	-35.1	-179.6	-66.1	71.6	31.5	0	0	112.1	S847 S853	S847-Q849 PolarHBondContact O-N 2.85Å; S847-Q849 PolarHBondContact OG-N 3.24Å; S847-Q849 PolarHBondContact OG-OE1 3.35Å; Q849-S853 WeakPolarHBondContact O-CB 3.28Å; Q849-S853 PolarHBondContact O-N 3.3Å
850	Q	97.1	Very high	95.6	Very high	29 Å²	29	35.3 Å²	35.3	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-64.6	-44	172.4	-171.7	178.8	59.5	0	0	110.7	S846 S847 L848 S853 L854 W887	S846-Q850 PolarHBondContact OG-OE1 3.24Å; S847-Q850 PolarHBondContact O-N 3.35Å; S847-Q850 PolarHBondContact OG-N 3.22Å; S847-Q850 VanDerWaalsContact OG-N 3.11Å; L848-Q850 VanDerWaalsContact C-N 3.32Å; L848-Q850 PolarHBondContact O-N 3.3Å; Q850-S853 PolarHBondContact O-N 3.21Å; Q850-S853 PolarHBondContact O-OG 3.32Å; Q850-L854 PolarHBondContact O-N 3.44Å; Q850-L854 VanDerWaalsContact O-N 3.1Å; Q850-W887 HydrophobicContact CG-CH2 3.96Å; Q850-W887 HydrophobicContact CG-CZ2 3.77Å
851	A	97.2	Very high	95.6	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-43.3	178.4	0	0	0	0	0	112.3	L825 W829 F845 S847 L848 L854 I855	L825-A851 HydrophobicContact CD2-CB 3.61Å; W829-A851 HydrophobicContact CZ3-CB 4.1Å; F845-A851 HydrophobicContact CB-CB 4.13Å; F845-A851 HydrophobicContact CD1-CB 3.78Å; F845-A851 HydrophobicContact CD2-CB 3.85Å; F845-A851 HydrophobicContact CE1-CB 4.13Å; F845-A851 HydrophobicContact CE2-CB 4.18Å; F845-A851 HydrophobicContact CG-CB 3.64Å; F845-A851 HydrophobicContact CZ-CB 4.31Å; S847-A851 PolarHBondContact O-N 2.83Å; L848-A851 CarbonylContact O-C 3.49Å; L848-A851 WeakPolarHBondContact O-CB 2.99Å; L848-A851 PolarHBondContact O-N 3.15Å; L848-A851 VanDerWaalsContact O-N 3.09Å; A851-L854 PolarHBondContact O-N 2.95Å; A851-I855 PolarHBondContact O-N 3.36Å; A851-I855 VanDerWaalsContact O-N 3.09Å
852	Q	97.2	Very high	95.9	Very high	30 Å²	30	35.8 Å²	35.8	14%	0.14	21%	0.206	C	C	.	.	H	α-helix	trans	-58.3	-46.2	171.9	-75	174.9	-34.5	0	0	111.5	S822 L825 E826 L848 L854 I855 A856	S822-Q852 PolarHBondContact O-NE2 3.26Å; S822-Q852 VanDerWaalsContact O-NE2 3.17Å; L825-Q852 HydrophobicContact CD2-CG 4.11Å; E826-Q852 PolarHBondContact OE2-NE2 3.45Å; L848-Q852 HydrophobicContact CD1-CG 3.96Å; L848-Q852 HydrophobicContact CG-CG 4.22Å; L848-Q852 WeakPolarHBondContact O-CB 3.49Å; L848-Q852 WeakPolarHBondContact O-CG 3.48Å; L848-Q852 PolarHBondContact O-N 3.31Å; Q852-L854 VanDerWaalsContact C-N 3.26Å; Q852-L854 PolarHBondContact O-N 3.01Å; Q852-I855 WeakPolarHBondContact O-CG1 3.48Å; Q852-I855 PolarHBondContact O-N 3.46Å; Q852-A856 WeakPolarHBondContact O-CB 3.46Å; Q852-A856 PolarHBondContact O-N 3.44Å
853	S	97	Very high	96.2	Very high	31 Å²	31	35 Å²	35	22%	0.217	20%	0.204	C	C	.	.	H	α-helix	trans	-61.8	-33	177.6	79.5	0	0	0	0	113.1	Q849 Q850 C857 W887	Q849-S853 WeakPolarHBondContact O-CB 3.28Å; Q849-S853 PolarHBondContact O-N 3.3Å; Q850-S853 PolarHBondContact O-N 3.21Å; Q850-S853 PolarHBondContact O-OG 3.32Å; S853-C857 PolarHBondContact O-N 3.08Å; S853-C857 PolarHBondContact O-SG 2.86Å; S853-W887 PolarHBondContact OG-NE1 3.22Å
854	L	97.9	Very high	96.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-71.7	-48.9	176.5	176.5	58.9	0	0	0	111.5	T760 L764 F845 Q850 A851 Q852 A856 C857 L858 V885 W887	T760-L854 HydrophobicContact CG2-CD2 4.07Å; L764-L854 HydrophobicContact CD1-CD2 4.13Å; F845-L854 HydrophobicContact CE1-CD2 3.81Å; F845-L854 HydrophobicContact CZ-CD2 4.26Å; Q850-L854 PolarHBondContact O-N 3.44Å; Q850-L854 VanDerWaalsContact O-N 3.1Å; A851-L854 PolarHBondContact O-N 2.95Å; Q852-L854 VanDerWaalsContact C-N 3.26Å; Q852-L854 PolarHBondContact O-N 3.01Å; L854-A856 PolarHBondContact O-N 3.03Å; L854-C857 PolarHBondContact O-N 2.78Å; L854-L858 HydrophobicContact CD1-CD1 3.98Å; L854-L858 HydrophobicContact CD1-CD2 4.19Å; L854-L858 HydrophobicContact CD1-CG 3.81Å; L854-L858 HydrophobicContact CD2-CD1 4.33Å; L854-L858 HydrophobicContact CG-CD1 3.81Å; L854-L858 HydrophobicContact CG-CG 4.1Å; L854-L858 WeakPolarHBondContact O-CG 3.3Å; L854-L858 PolarHBondContact O-N 3.29Å; L854-V885 HydrophobicContact CD1-CG1 3.57Å; L854-V885 HydrophobicContact CD2-CG1 4.31Å; L854-W887 HydrophobicContact CB-CD2 4.44Å; L854-W887 HydrophobicContact CB-CH2 4.2Å; L854-W887 HydrophobicContact CB-CZ2 3.87Å; L854-W887 HydrophobicContact CD1-CD2 3.87Å; L854-W887 HydrophobicContact CD1-CE3 3.79Å; L854-W887 HydrophobicContact CD1-CG 4.35Å; L854-W887 HydrophobicContact CD1-CZ3 4.16Å; L854-W887 HydrophobicContact CD2-CZ3 4.48Å
855	I	96.8	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-29.7	179.5	58	172	0	0	0	112.5	L764 L821 L825 A851 Q852 C857 L858 G859 L863	L764-I855 HydrophobicContact CD1-CG2 4.31Å; L764-I855 HydrophobicContact CD2-CG2 3.74Å; L821-I855 HydrophobicContact CB-CD1 4.04Å; L821-I855 WeakPolarHBondContact O-CD1 3.23Å; L825-I855 HydrophobicContact CB-CD1 3.88Å; L825-I855 HydrophobicContact CD2-CD1 3.8Å; L825-I855 HydrophobicContact CD2-CG1 4.49Å; L825-I855 HydrophobicContact CG-CD1 4.28Å; A851-I855 PolarHBondContact O-N 3.36Å; A851-I855 VanDerWaalsContact O-N 3.09Å; Q852-I855 WeakPolarHBondContact O-CG1 3.48Å; Q852-I855 PolarHBondContact O-N 3.46Å; I855-C857 VanDerWaalsContact C-N 3.34Å; I855-L858 PolarHBondContact O-N 3.15Å; I855-G859 PolarHBondContact O-N 2.97Å; I855-L863 HydrophobicContact CB-CD1 3.84Å; I855-L863 HydrophobicContact CG2-CD1 3.91Å; I855-L863 HydrophobicContact CG2-CD2 4.43Å
856	A	96.1	Very high	96.8	Very high	20 Å²	20	25.3 Å²	25.3	17%	0.165	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-39.2	171.2	0	0	0	0	0	112.9	V818 Q852 L854	V818-A856 HydrophobicContact CG1-CB 3.48Å; V818-A856 VanDerWaalsContact CG1-CB 3.48Å; Q852-A856 WeakPolarHBondContact O-CB 3.46Å; Q852-A856 PolarHBondContact O-N 3.44Å; L854-A856 PolarHBondContact O-N 3.03Å
857	C	96.9	Very high	97	Very high	10 Å²	10	20.8 Å²	20.8	7%	0.068	14%	0.135	C	C	.	.	H	α-helix	trans	-77.1	-41	176.1	-59.3	0	0	0	0	112.1	S853 L854 I855 W887 Y894	S853-C857 PolarHBondContact O-N 3.08Å; S853-C857 PolarHBondContact O-SG 2.86Å; L854-C857 PolarHBondContact O-N 2.78Å; I855-C857 VanDerWaalsContact C-N 3.34Å; C857-W887 HydrophobicContact CB-CB 4.23Å; C857-Y894 HydrophobicContact CB-CD1 4.33Å; C857-Y894 WeakPolarHBondContact O-CD1 3.46Å; C857-Y894 WeakPolarHBondContact O-CE1 3.29Å
858	L	96.8	Very high	97.1	Very high	7 Å²	7	20.7 Å²	20.7	4%	0.037	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-41.9	-179.5	-69.2	179.5	0	0	0	112.4	L764 L854 I855 F862 L863 Y894 L896	L764-L858 HydrophobicContact CD1-CD1 3.87Å; L854-L858 HydrophobicContact CD1-CD1 3.98Å; L854-L858 HydrophobicContact CD1-CD2 4.19Å; L854-L858 HydrophobicContact CD1-CG 3.81Å; L854-L858 HydrophobicContact CD2-CD1 4.33Å; L854-L858 HydrophobicContact CG-CD1 3.81Å; L854-L858 HydrophobicContact CG-CG 4.1Å; L854-L858 WeakPolarHBondContact O-CG 3.3Å; L854-L858 PolarHBondContact O-N 3.29Å; I855-L858 PolarHBondContact O-N 3.15Å; L858-F862 HydrophobicContact CB-CD1 4.01Å; L858-F862 HydrophobicContact CB-CE1 4.44Å; L858-F862 HydrophobicContact CD1-CE1 4.32Å; L858-F862 HydrophobicContact CD2-CD1 4.12Å; L858-F862 HydrophobicContact CD2-CE1 3.81Å; L858-F862 HydrophobicContact CG-CD1 4.47Å; L858-F862 HydrophobicContact CG-CE1 4.41Å; L858-F862 WeakPolarHBondContact O-CB 3.39Å; L858-L863 HydrophobicContact CB-CD1 4.38Å; L858-L863 HydrophobicContact CB-CD2 4.26Å; L858-L863 HydrophobicContact CB-CG 4.12Å; L858-L863 HydrophobicContact CD1-CD2 3.81Å; L858-Y894 HydrophobicContact CD2-CD1 4.26Å; L858-Y894 HydrophobicContact CD2-CD2 3.57Å; L858-Y894 HydrophobicContact CD2-CE1 4.21Å; L858-Y894 HydrophobicContact CD2-CE2 3.52Å; L858-Y894 HydrophobicContact CD2-CG 3.95Å; L858-L896 HydrophobicContact CD2-CD2 4.48Å
859	G	95.7	Very high	97.1	Very high	21 Å²	21	22.4 Å²	22.4	22%	0.216	14%	0.137	C	C	.	.			trans	77.3	155.2	178.5	0	0	0	0	0	114.8	I855 A861 F862 L863	I855-G859 PolarHBondContact O-N 2.97Å; G859-A861 PolarHBondContact O-N 2.66Å; G859-F862 PolarHBondContact O-N 2.71Å; G859-L863 WeakPolarHBondContact O-CG 3.44Å; G859-L863 PolarHBondContact O-N 2.86Å; G859-L863 VanDerWaalsContact O-N 3.12Å
860	G	96.6	Very high	97	Very high	9 Å²	9	16.8 Å²	16.8	9%	0.093	11%	0.11	C	C	.	.	H	α-helix	trans	-59.3	-49.5	-171.1	0	0	0	0	0	115	L813 F862 L863 G864	L813-G860 CarbonylContact C-O 3.52Å; L813-G860 CarbonylContact O-C 3.42Å; L813-G860 WeakPolarHBondContact O-CA 3.33Å; G860-F862 VanDerWaalsContact C-N 3.34Å; G860-F862 PolarHBondContact O-N 2.66Å; G860-L863 PolarHBondContact O-N 3.26Å; G860-G864 PolarHBondContact O-N 3.16Å
861	A	96.8	Very high	97	Very high	67 Å²	67	15.5 Å²	15.5	55%	0.554	11%	0.105	S	C	*	.	H	α-helix	trans	-59.4	-40.3	-178.1	0	0	0	0	0	113.6	G859 G865	G859-A861 PolarHBondContact O-N 2.66Å; A861-G865 PolarHBondContact O-N 3.27Å; A861-G865 VanDerWaalsContact O-N 3.12Å
862	F	97.6	Very high	97	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.031	12%	0.122	C	C	.	.	H	α-helix	trans	-69.2	-46	175.5	170.8	-89.7	0	0	0	111.1	F761 L858 G859 G860 G864 G865 V866 L896 L917 L920 A922	F761-F862 HydrophobicContact CE1-CE1 4.07Å; F761-F862 HydrophobicContact CE1-CZ 4.17Å; L858-F862 HydrophobicContact CB-CD1 4.01Å; L858-F862 HydrophobicContact CB-CE1 4.44Å; L858-F862 HydrophobicContact CD1-CE1 4.32Å; L858-F862 HydrophobicContact CD2-CD1 4.12Å; L858-F862 HydrophobicContact CD2-CE1 3.81Å; L858-F862 HydrophobicContact CG-CD1 4.47Å; L858-F862 HydrophobicContact CG-CE1 4.41Å; L858-F862 WeakPolarHBondContact O-CB 3.39Å; G859-F862 PolarHBondContact O-N 2.71Å; G860-F862 VanDerWaalsContact C-N 3.34Å; G860-F862 PolarHBondContact O-N 2.66Å; F862-G864 VanDerWaalsContact C-N 3.34Å; F862-G864 PolarHBondContact O-N 3.01Å; F862-G865 PolarHBondContact O-N 2.85Å; F862-V866 HydrophobicContact CD1-CG2 4.25Å; F862-V866 HydrophobicContact CD2-CG2 4.44Å; F862-V866 HydrophobicContact CE1-CG2 3.72Å; F862-V866 HydrophobicContact CE2-CG2 3.92Å; F862-V866 HydrophobicContact CZ-CG2 3.53Å; F862-V866 WeakPolarHBondContact O-CG2 3.46Å; F862-V866 PolarHBondContact O-N 3.42Å; F862-L896 HydrophobicContact CE2-CD1 4.15Å; F862-L896 HydrophobicContact CZ-CD1 3.78Å; F862-L917 HydrophobicContact CE2-CD2 3.64Å; F862-L917 HydrophobicContact CZ-CD2 3.63Å; F862-L920 HydrophobicContact CD2-CB 3.76Å; F862-L920 HydrophobicContact CE2-CB 4.2Å; F862-A922 HydrophobicContact CD2-CB 4.11Å; F862-A922 HydrophobicContact CE2-CB 3.71Å
863	L	97.9	Very high	96.7	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.026	12%	0.123	C	C	.	.	H	α-helix	trans	-60.7	-41.4	177.8	-73	169.1	0	0	0	112.1	L764 L768 L821 I855 L858 G859 G860 T867	L764-L863 HydrophobicContact CD1-CD2 4.4Å; L768-L863 HydrophobicContact CD1-CD1 4.42Å; L768-L863 HydrophobicContact CD1-CD2 4.24Å; L821-L863 HydrophobicContact CD1-CD1 4.25Å; L821-L863 HydrophobicContact CD2-CD1 4.43Å; I855-L863 HydrophobicContact CB-CD1 3.84Å; I855-L863 HydrophobicContact CG2-CD1 3.91Å; I855-L863 HydrophobicContact CG2-CD2 4.43Å; L858-L863 HydrophobicContact CB-CD1 4.38Å; L858-L863 HydrophobicContact CB-CD2 4.26Å; L858-L863 HydrophobicContact CB-CG 4.12Å; L858-L863 HydrophobicContact CD1-CD2 3.81Å; G859-L863 WeakPolarHBondContact O-CG 3.44Å; G859-L863 PolarHBondContact O-N 2.86Å; G859-L863 VanDerWaalsContact O-N 3.12Å; G860-L863 PolarHBondContact O-N 3.26Å; L863-T867 WeakPolarHBondContact O-CB 3.34Å; L863-T867 PolarHBondContact O-N 3.39Å; L863-T867 PolarHBondContact O-OG1 2.89Å
864	G	98	Very high	96.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-45.6	173.8	0	0	0	0	0	112.3	G860 F862 T867 D868	G860-G864 PolarHBondContact O-N 3.16Å; F862-G864 VanDerWaalsContact C-N 3.34Å; F862-G864 PolarHBondContact O-N 3.01Å; G864-T867 PolarHBondContact O-N 3.5Å; G864-D868 WeakPolarHBondContact O-CB 3.31Å; G864-D868 PolarHBondContact O-N 3.39Å
865	G	97.8	Very high	96.2	Very high	17 Å²	17	23 Å²	23	18%	0.175	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-39.7	177.1	0	0	0	0	0	114.4	A861 F862 R869	A861-G865 PolarHBondContact O-N 3.27Å; A861-G865 VanDerWaalsContact O-N 3.12Å; F862-G865 PolarHBondContact O-N 2.85Å; G865-R869 WeakPolarHBondContact O-CB 3.3Å; G865-R869 PolarHBondContact O-N 2.98Å
866	V	97.2	Very high	95.7	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.03	14%	0.139	C	C	.	.	H	α-helix	trans	-65.9	-42.1	172.3	172.4	0	0	0	0	110.6	F761 F862 R869 M870 L917 L920	F761-V866 HydrophobicContact CD1-CG1 4.24Å; F862-V866 HydrophobicContact CD1-CG2 4.25Å; F862-V866 HydrophobicContact CD2-CG2 4.44Å; F862-V866 HydrophobicContact CE1-CG2 3.72Å; F862-V866 HydrophobicContact CE2-CG2 3.92Å; F862-V866 HydrophobicContact CZ-CG2 3.53Å; F862-V866 WeakPolarHBondContact O-CG2 3.46Å; F862-V866 PolarHBondContact O-N 3.42Å; V866-R869 PolarHBondContact O-N 3.14Å; V866-M870 HydrophobicContact CG1-CG 4.25Å; V866-M870 HydrophobicContact CG1-SD 3.6Å; V866-M870 WeakPolarHBondContact O-CB 3.29Å; V866-M870 VanDerWaalsContact O-CG 3.31Å; V866-M870 WeakPolarHBondContact O-CG 3.24Å; V866-M870 PolarHBondContact O-N 2.81Å; V866-L917 HydrophobicContact CG2-CD2 4.13Å; V866-L920 HydrophobicContact CG2-CD1 3.77Å
867	T	97.6	Very high	95.3	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-63.9	-47	179.9	-63.7	0	0	0	0	112.1	F765 M769 V810 L813 L863 G864 R869 M870 A871	F765-T867 HydrophobicContact CD2-CG2 4.02Å; F765-T867 HydrophobicContact CE2-CG2 4.07Å; M769-T867 HydrophobicContact CE-CG2 4.39Å; M769-T867 HydrophobicContact CG-CG2 3.69Å; M769-T867 HydrophobicContact SD-CG2 3.33Å; M769-T867 WeakPolarHBondContact SD-CG2 3.41Å; V810-T867 HydrophobicContact CG2-CG2 4.27Å; L813-T867 HydrophobicContact CD1-CG2 3.94Å; L863-T867 WeakPolarHBondContact O-CB 3.34Å; L863-T867 PolarHBondContact O-N 3.39Å; L863-T867 PolarHBondContact O-OG1 2.89Å; G864-T867 PolarHBondContact O-N 3.5Å; T867-R869 VanDerWaalsContact C-N 3.33Å; T867-R869 PolarHBondContact O-N 2.96Å; T867-M870 PolarHBondContact O-N 2.91Å; T867-A871 WeakPolarHBondContact O-CB 3.14Å; T867-A871 PolarHBondContact O-N 3.13Å
868	D	97.7	Very high	94.8	Very high	39 Å²	39	29.2 Å²	29.2	21%	0.209	15%	0.152	C	C	.	.	H	α-helix	trans	-55.1	-48.7	175	179.2	69.4	0	0	0	111.8	V810 G864 A871 K872	V810-D868 HydrophobicContact CG1-CB 4.01Å; V810-D868 HydrophobicContact CG2-CB 3.78Å; G864-D868 WeakPolarHBondContact O-CB 3.31Å; G864-D868 PolarHBondContact O-N 3.39Å; D868-A871 PolarHBondContact O-N 2.82Å; D868-K872 WeakPolarHBondContact O-CB 3.48Å; D868-K872 VanDerWaalsContact O-CG 3.3Å; D868-K872 WeakPolarHBondContact O-CG 3.31Å; D868-K872 PolarHBondContact O-N 2.87Å; D868-K872 WeakPolarHBondContact OD1-CE 3.42Å; D868-K872 IonicContact OD1-NZ 3.96Å; D868-K872 PolarHBondContact OD1-NZ 3.23Å; D868-K872 WeakPolarHBondContact OD2-CE 3.39Å; D868-K872 IonicContact OD2-NZ 3.46Å; D868-K872 PolarHBondContact OD2-NZ 2.86Å
869	R	95.7	Very high	94.4	Very high	51 Å²	51	30.1 Å²	30.1	19%	0.192	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-45.7	178.3	-179.5	177.3	-164.3	80.9	-10.7	112.5	G865 V866 T867 K872 D873 W913 E916	G865-R869 WeakPolarHBondContact O-CB 3.3Å; G865-R869 PolarHBondContact O-N 2.98Å; V866-R869 PolarHBondContact O-N 3.14Å; T867-R869 VanDerWaalsContact C-N 3.33Å; T867-R869 PolarHBondContact O-N 2.96Å; R869-K872 PolarHBondContact O-N 3.34Å; R869-D873 PolarHBondContact O-N 2.8Å; R869-W913 HydrophobicContact CG-CH2 4.29Å; R869-E916 IonicContact CZ-OE2 2.75Å; R869-E916 IonicContact NH1-OE2 3.75Å; R869-E916 PolarHBondContact NH1-OE2 3.46Å; R869-E916 VanDerWaalsContact NH2-CG 3.32Å; R869-E916 IonicContact NH2-OE2 2.89Å; R869-E916 PolarHBondContact NH2-OE2 3.46Å
870	M	96.4	Very high	94.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-69.4	-34.9	-178.9	-73.6	-178.1	64.7	0	0	111.8	F761 F765 V866 T867 Y874 C877 W913	F761-M870 HydrophobicContact CB-SD 4.11Å; F765-M870 HydrophobicContact CB-CE 3.9Å; F765-M870 HydrophobicContact CB-SD 4.36Å; F765-M870 HydrophobicContact CD1-CE 4.44Å; F765-M870 HydrophobicContact CD2-CB 3.8Å; F765-M870 HydrophobicContact CE2-CB 3.89Å; F765-M870 HydrophobicContact CG-CB 4.26Å; F765-M870 HydrophobicContact CG-CE 4.13Å; F765-M870 HydrophobicContact CZ-CB 4.43Å; V866-M870 HydrophobicContact CG1-CG 4.25Å; V866-M870 HydrophobicContact CG1-SD 3.6Å; V866-M870 WeakPolarHBondContact O-CB 3.29Å; V866-M870 VanDerWaalsContact O-CG 3.31Å; V866-M870 WeakPolarHBondContact O-CG 3.24Å; V866-M870 PolarHBondContact O-N 2.81Å; T867-M870 PolarHBondContact O-N 2.91Å; M870-Y874 HydrophobicContact CE-CD2 3.97Å; M870-Y874 HydrophobicContact CE-CE2 3.69Å; M870-Y874 WeakPolarHBondContact O-CA 3.31Å; M870-Y874 VanDerWaalsContact O-CB 3.25Å; M870-Y874 WeakPolarHBondContact O-CB 3.33Å; M870-Y874 PolarHBondContact O-N 3.44Å; M870-C877 HydrophobicContact CG-CB 4.32Å; M870-W913 HydrophobicContact CG-CH2 4.13Å; M870-W913 HydrophobicContact CG-CZ2 4.38Å
871	A	97.2	Very high	94.1	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.017	16%	0.158	C	C	.	.	H	α-helix	trans	-65.6	-41.6	172.8	0	0	0	0	0	112.3	F765 F798 Y799 I806 T867 D868 D873	F765-A871 HydrophobicContact CE2-CB 4.06Å; F765-A871 HydrophobicContact CZ-CB 4.21Å; F798-A871 HydrophobicContact CE1-CB 4.25Å; Y799-A871 HydrophobicContact CD2-CB 4.19Å; I806-A871 HydrophobicContact CD1-CB 4.1Å; I806-A871 HydrophobicContact CG1-CB 4.49Å; I806-A871 HydrophobicContact CG2-CB 3.8Å; T867-A871 WeakPolarHBondContact O-CB 3.14Å; T867-A871 PolarHBondContact O-N 3.13Å; D868-A871 PolarHBondContact O-N 2.82Å; A871-D873 PolarHBondContact O-N 3.45Å
872	K	95.5	Very high	94	Very high	84 Å²	84	26.5 Å²	26.5	37%	0.365	13%	0.132	S	C	.	.	H	α-helix	trans	-67.8	-31.2	-178.8	-75.8	169.7	-177.5	164.8	0	114.6	Y799 D868 R869	Y799-K872 HydrophobicContact CD1-CG 4.21Å; Y799-K872 HydrophobicContact CD2-CB 4.36Å; Y799-K872 HydrophobicContact CD2-CD 4.48Å; Y799-K872 HydrophobicContact CD2-CG 3.4Å; Y799-K872 HydrophobicContact CE1-CG 4.28Å; Y799-K872 HydrophobicContact CE2-CD 4.09Å; Y799-K872 HydrophobicContact CE2-CG 3.47Å; Y799-K872 VanDerWaalsContact CE2-CG 3.47Å; Y799-K872 HydrophobicContact CG-CG 3.79Å; Y799-K872 WeakPolarHBondContact OH-CE 3.38Å; D868-K872 WeakPolarHBondContact O-CB 3.48Å; D868-K872 VanDerWaalsContact O-CG 3.3Å; D868-K872 WeakPolarHBondContact O-CG 3.31Å; D868-K872 PolarHBondContact O-N 2.87Å; D868-K872 WeakPolarHBondContact OD1-CE 3.42Å; D868-K872 IonicContact OD1-NZ 3.96Å; D868-K872 PolarHBondContact OD1-NZ 3.23Å; D868-K872 WeakPolarHBondContact OD2-CE 3.39Å; D868-K872 IonicContact OD2-NZ 3.46Å; D868-K872 PolarHBondContact OD2-NZ 2.86Å; R869-K872 PolarHBondContact O-N 3.34Å
873	D	92.3	Very high	94	Very high	28 Å²	28	27.2 Å²	27.2	15%	0.15	14%	0.136	C	C	.	.			trans	-154.2	63.3	179	-168.7	-11.4	0	0	0	112.6	R658 R869 A871 R875 H876 C877	R658-D873 WeakPolarHBondContact CD-OD2 3.22Å; R658-D873 IonicContact CZ-OD2 3.64Å; R658-D873 IonicContact NE-OD2 3.82Å; R658-D873 IonicContact NH1-OD1 3.86Å; R658-D873 IonicContact NH1-OD2 2.73Å; R658-D873 PolarHBondContact NH1-OD2 3.07Å; R869-D873 PolarHBondContact O-N 2.8Å; A871-D873 PolarHBondContact O-N 3.45Å; D873-R875 VanDerWaalsContact C-N 3.25Å; D873-R875 PolarHBondContact O-N 3.01Å; D873-H876 VanDerWaalsContact CG-ND1 3.33Å; D873-H876 PolarHBondContact O-N 3.2Å; D873-H876 WeakPolarHBondContact OD1-CB 3.45Å; D873-H876 IonicContact OD1-CE1 2.63Å; D873-H876 IonicContact OD1-CG 3.75Å; D873-H876 PolarHBondContact OD1-N 3.08Å; D873-H876 IonicContact OD1-ND1 3.18Å; D873-H876 PolarHBondContact OD1-ND1 3Å; D873-H876 IonicContact OD2-CG 3.68Å; D873-H876 IonicContact OD2-ND1 2.71Å; D873-H876 PolarHBondContact OD2-ND1 3.11Å; D873-H876 VanDerWaalsContact OD2-ND1 3.16Å; D873-C877 WeakPolarHBondContact O-CB 3.33Å; D873-C877 PolarHBondContact O-N 3.47Å; D873-C877 PolarHBondContact O-SG 2.91Å
874	Y	93.9	Very high	94	Very high	11 Å²	11	27 Å²	27	4%	0.043	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-38.7	-177.4	-175	-115.9	0	0	0	112.4	S762 L793 Y794 L839 M870 H876 C877 R878	S762-Y874 PolarHBondContact OG-OH 3.03Å; L793-Y874 HydrophobicContact CD1-CD1 3.96Å; L793-Y874 HydrophobicContact CD1-CG 4.27Å; L793-Y874 HydrophobicContact CD2-CD1 4.19Å; L793-Y874 HydrophobicContact CD2-CE1 4.28Å; L793-Y874 HydrophobicContact CG-CD1 3.86Å; L793-Y874 HydrophobicContact CG-CE1 4.45Å; Y794-Y874 AromaticContact CD1-CD1 3.94Å; Y794-Y874 HydrophobicContact CD1-CD1 3.94Å; Y794-Y874 HydrophobicContact CD1-CE1 4.38Å; Y794-Y874 AromaticContact CE1-CD1 3.5Å; Y794-Y874 HydrophobicContact CE1-CD1 3.5Å; Y794-Y874 AromaticContact CE1-CE1 3.49Å; Y794-Y874 HydrophobicContact CE1-CE1 3.49Å; Y794-Y874 VanDerWaalsContact CE1-CE1 3.49Å; Y794-Y874 AromaticContact CZ-CE1 3.97Å; L839-Y874 HydrophobicContact CD2-CD1 4.07Å; L839-Y874 HydrophobicContact CD2-CD2 4.38Å; L839-Y874 HydrophobicContact CD2-CE1 3.33Å; L839-Y874 HydrophobicContact CD2-CE2 3.73Å; L839-Y874 VanDerWaalsContact CD2-OH 3.29Å; L839-Y874 WeakPolarHBondContact CD2-OH 3.1Å; M870-Y874 HydrophobicContact CE-CD2 3.97Å; M870-Y874 HydrophobicContact CE-CE2 3.69Å; M870-Y874 WeakPolarHBondContact O-CA 3.31Å; M870-Y874 VanDerWaalsContact O-CB 3.25Å; M870-Y874 WeakPolarHBondContact O-CB 3.33Å; M870-Y874 PolarHBondContact O-N 3.44Å; Y874-H876 VanDerWaalsContact C-N 3.33Å; Y874-H876 PolarHBondContact O-N 3.04Å; Y874-C877 PolarHBondContact O-N 3.11Å; Y874-R878 HydrophobicContact CD2-CB 4.12Å; Y874-R878 HydrophobicContact CE1-CB 4.21Å; Y874-R878 HydrophobicContact CE2-CB 3.59Å; Y874-R878 VanDerWaalsContact O-CB 3.27Å; Y874-R878 WeakPolarHBondContact O-CB 3.31Å; Y874-R878 WeakPolarHBondContact O-CG 3.45Å; Y874-R878 PolarHBondContact O-N 2.85Å
875	R	89.2	Confident	94	Very high	95 Å²	95	27 Å²	27	36%	0.358	14%	0.135	S	C	.	.	H	α-helix	trans	-55.8	-44	-180	-179	174.3	-174.3	79.9	-7.4	112.8	D621 Y794 D873	D621-R875 IonicContact OD2-CZ 2.64Å; D621-R875 IonicContact OD2-NE 2.64Å; D621-R875 PolarHBondContact OD2-NE 3.37Å; D621-R875 IonicContact OD2-NH2 3.65Å; D621-R875 PolarHBondContact OD2-NH2 2.88Å; Y794-R875 HydrophobicContact CD1-CB 4.23Å; Y794-R875 WeakPolarHBondContact O-CB 3.24Å; Y794-R875 VanDerWaalsContact O-CD 3.28Å; Y794-R875 WeakPolarHBondContact O-CD 3.48Å; D873-R875 VanDerWaalsContact C-N 3.25Å; D873-R875 PolarHBondContact O-N 3.01Å
876	H	86.4	Confident	94.1	Very high	35 Å²	35	26.3 Å²	26.3	16%	0.162	13%	0.128	C	C	.	.	H	α-helix	trans	-92.3	-28.5	-179.1	-55.5	89.1	0	0	0	112.4	D873 Y874 K909	D873-H876 VanDerWaalsContact CG-ND1 3.33Å; D873-H876 PolarHBondContact O-N 3.2Å; D873-H876 WeakPolarHBondContact OD1-CB 3.45Å; D873-H876 IonicContact OD1-CE1 2.63Å; D873-H876 IonicContact OD1-CG 3.75Å; D873-H876 PolarHBondContact OD1-N 3.08Å; D873-H876 IonicContact OD1-ND1 3.18Å; D873-H876 PolarHBondContact OD1-ND1 3Å; D873-H876 IonicContact OD2-CG 3.68Å; D873-H876 IonicContact OD2-ND1 2.71Å; D873-H876 PolarHBondContact OD2-ND1 3.11Å; D873-H876 VanDerWaalsContact OD2-ND1 3.16Å; Y874-H876 VanDerWaalsContact C-N 3.33Å; Y874-H876 PolarHBondContact O-N 3.04Å; H876-K909 PolarHBondContact O-NZ 3.33Å
877	C	88.2	Confident	94.1	Very high	13 Å²	13	26.1 Å²	26.1	9%	0.088	13%	0.126	C	C	.	.	H	α-helix	trans	-73.7	-36	179.3	-68.8	0	0	0	0	114	M870 D873 Y874 G879 W913	M870-C877 HydrophobicContact CG-CB 4.32Å; D873-C877 WeakPolarHBondContact O-CB 3.33Å; D873-C877 PolarHBondContact O-N 3.47Å; D873-C877 PolarHBondContact O-SG 2.91Å; Y874-C877 PolarHBondContact O-N 3.11Å; C877-G879 PolarHBondContact O-N 3.28Å; C877-W913 HydrophobicContact CB-CZ2 3.71Å; C877-W913 WeakPolarHBondContact O-CZ2 3.47Å; C877-W913 PolarHBondContact O-NE1 3.08Å
878	R	87.2	Confident	94.1	Very high	113 Å²	113	27.1 Å²	27.1	43%	0.426	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-3.1	-173.9	74.1	-178.7	-173.3	156	6.3	117.7	Y794 Y874	Y794-R878 VanDerWaalsContact CE1-NH1 3.25Å; Y794-R878 PolarHBondContact OH-NH1 3.31Å; Y874-R878 HydrophobicContact CD2-CB 4.12Å; Y874-R878 HydrophobicContact CE1-CB 4.21Å; Y874-R878 HydrophobicContact CE2-CB 3.59Å; Y874-R878 VanDerWaalsContact O-CB 3.27Å; Y874-R878 WeakPolarHBondContact O-CB 3.31Å; Y874-R878 WeakPolarHBondContact O-CG 3.45Å; Y874-R878 PolarHBondContact O-N 2.85Å
879	G	87.6	Confident	93.9	Very high	26 Å²	26	28 Å²	28	27%	0.268	14%	0.139	S	C	.	.	S	Bend	trans	-141.7	139.8	-179.7	0	0	0	0	0	112	C877 K909	C877-G879 PolarHBondContact O-N 3.28Å; G879-K909 WeakPolarHBondContact O-CD 3.48Å
880	G	90.2	Very high	93.7	Very high	18 Å²	18	30.8 Å²	30.8	19%	0.186	17%	0.166	C	C	.	.	S	Bend	trans	93	7.7	-170.9	0	0	0	0	0	114.3	Q910 W913	G880-Q910 WeakPolarHBondContact O-CA 3.47Å; G880-Q910 WeakPolarHBondContact O-CG 3.35Å; G880-W913 VanDerWaalsContact O-CB 3.27Å; G880-W913 WeakPolarHBondContact O-CB 3.46Å; G880-W913 VanDerWaalsContact O-CD1 3.31Å
881	L	94.9	Very high	93.5	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	19%	0.189	C	C	.	.	S	Bend	trans	-64.7	151.9	158.2	-79.5	156.8	0	0	0	109.6	F761 W913 L917	F761-L881 HydrophobicContact CB-CD1 3.87Å; F761-L881 HydrophobicContact CD2-CB 4.31Å; F761-L881 HydrophobicContact CD2-CD1 3.98Å; F761-L881 HydrophobicContact CD2-CD2 3.89Å; F761-L881 HydrophobicContact CD2-CG 4.28Å; F761-L881 HydrophobicContact CE2-CD2 4.21Å; F761-L881 HydrophobicContact CG-CD1 4.2Å; F761-L881 HydrophobicContact CG-CD2 4.28Å; L881-W913 HydrophobicContact CD1-CH2 4.42Å; L881-W913 HydrophobicContact CD1-CZ2 3.9Å; L881-W913 HydrophobicContact CD2-CD2 3.62Å; L881-W913 HydrophobicContact CD2-CE3 3.66Å; L881-W913 HydrophobicContact CD2-CG 4.23Å; L881-W913 HydrophobicContact CD2-CH2 3.71Å; L881-W913 HydrophobicContact CD2-CZ2 3.68Å; L881-W913 HydrophobicContact CD2-CZ3 3.71Å; L881-W913 HydrophobicContact CG-CD2 3.92Å; L881-W913 HydrophobicContact CG-CE3 4.44Å; L881-W913 HydrophobicContact CG-CG 4.27Å; L881-W913 HydrophobicContact CG-CH2 4.23Å; L881-W913 HydrophobicContact CG-CZ2 3.69Å; L881-L917 HydrophobicContact CD2-CD1 4.29Å
882	P	96.5	Very high	93.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.212	C	C	.	.			trans	-58.6	149.8	-178.4	-25	35.6	0	0	0	113.6	E757 L884 L896 E898 L914 L917	E757-P882 WeakPolarHBondContact CA-O 3.27Å; P882-L884 PolarHBondContact O-N 3.38Å; P882-L896 HydrophobicContact CB-CB 4.48Å; P882-L896 HydrophobicContact CG-CB 4.16Å; P882-E898 HydrophobicContact CB-CB 4.34Å; P882-L914 HydrophobicContact CG-CD2 4.04Å; P882-L917 HydrophobicContact CG-CD1 3.81Å
883	D	97.3	Very high	93.2	Very high	21 Å²	21	38.8 Å²	38.8	11%	0.112	22%	0.215	C	C	.	.	S	Bend	trans	-64.6	-39.7	-176.8	-47	-77.1	0	0	0	112.7	G756 E757 V897 E898 V899	G756-D883 PolarHBondContact N-O 3.13Å; E757-D883 PolarHBondContact N-O 2.82Å; D883-V897 PolarHBondContact N-O 3.3Å; D883-E898 WeakPolarHBondContact OD2-CA 3.35Å; D883-V899 PolarHBondContact OD2-N 3.43Å
884	L	98.2	Very high	93.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.3	-175	-51.8	-176.9	0	0	0	112.9	E738 L742 I754 H755 P882 V897 V899	E738-L884 HydrophobicContact CB-CD2 4.25Å; L742-L884 HydrophobicContact CD1-CD2 4.14Å; L742-L884 HydrophobicContact CD2-CD1 4.05Å; L742-L884 HydrophobicContact CD2-CD2 4.04Å; L742-L884 HydrophobicContact CD2-CG 4.48Å; L742-L884 HydrophobicContact CG-CD1 3.99Å; L742-L884 HydrophobicContact CG-CD2 3.85Å; I754-L884 WeakPolarHBondContact O-CA 3.33Å; H755-L884 HydrophobicContact CB-CD2 3.54Å; P882-L884 PolarHBondContact O-N 3.38Å; L884-V897 HydrophobicContact CB-CB 4.16Å; L884-V897 HydrophobicContact CD1-CB 4.49Å; L884-V897 PolarHBondContact N-O 3.49Å; L884-V897 PolarHBondContact O-N 3.11Å; L884-V899 HydrophobicContact CD1-CG2 3.64Å; L884-V899 HydrophobicContact CG-CG2 3.81Å
885	V	98.3	Very high	93.7	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.1	160	-175.4	0	0	0	0	107.2	G753 I754 T760 F761 L854 W887 L896	G753-V885 CarbonylContact C-O 3.59Å; G753-V885 VanDerWaalsContact CA-O 3.23Å; G753-V885 WeakPolarHBondContact CA-O 3.28Å; I754-V885 PolarHBondContact N-O 3Å; I754-V885 PolarHBondContact O-N 3.43Å; T760-V885 HydrophobicContact CG2-CG2 4.34Å; F761-V885 HydrophobicContact CE2-CG2 3.77Å; F761-V885 HydrophobicContact CZ-CG2 3.8Å; L854-V885 HydrophobicContact CD1-CG1 3.57Å; L854-V885 HydrophobicContact CD2-CG1 4.31Å; V885-W887 HydrophobicContact CG1-CE3 4.35Å; V885-L896 HydrophobicContact CB-CD2 4.38Å; V885-L896 HydrophobicContact CG1-CD2 3.83Å; V885-L896 HydrophobicContact CG2-CD2 4.06Å
886	V	98.4	Very high	94.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.2	178.4	-59.4	0	0	0	0	110.1	L742 Y745 F750 Q752 Y894 K895 V897	L742-V886 HydrophobicContact CD2-CG1 3.74Å; Y745-V886 HydrophobicContact CD1-CG2 4.25Å; Y745-V886 HydrophobicContact CD2-CG1 4.4Å; Y745-V886 HydrophobicContact CG-CG1 4.32Å; Y745-V886 HydrophobicContact CG-CG2 4.09Å; F750-V886 HydrophobicContact CB-CB 4Å; F750-V886 HydrophobicContact CB-CG2 4.27Å; F750-V886 HydrophobicContact CD1-CB 4.36Å; F750-V886 HydrophobicContact CD1-CG2 3.98Å; F750-V886 HydrophobicContact CD2-CG2 4.17Å; F750-V886 HydrophobicContact CE1-CG2 4.34Å; F750-V886 HydrophobicContact CG-CB 4.16Å; F750-V886 HydrophobicContact CG-CG2 3.88Å; Q752-V886 WeakPolarHBondContact O-CA 3.39Å; V886-Y894 CarbonylContact O-C 3.55Å; V886-Y894 VanDerWaalsContact O-CA 3.27Å; V886-Y894 WeakPolarHBondContact O-CA 3.41Å; V886-K895 HydrophobicContact CG2-CB 3.93Å; V886-K895 PolarHBondContact N-O 3.37Å; V886-K895 PolarHBondContact O-N 2.87Å; V886-V897 HydrophobicContact CG2-CG2 4.38Å
887	W	98.2	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157.1	-178.1	69.1	104.6	0	0	0	112.7	F750 D751 Q752 I754 Q850 S853 L854 C857 V885 T893	F750-W887 CarbonylContact C-O 3.59Å; D751-W887 PolarHBondContact N-O 3.3Å; Q752-W887 HydrophobicContact CB-CD2 3.41Å; Q752-W887 VanDerWaalsContact CB-CD2 3.41Å; Q752-W887 HydrophobicContact CB-CE3 3.77Å; Q752-W887 HydrophobicContact CB-CG 3.94Å; Q752-W887 HydrophobicContact CB-CH2 3.85Å; Q752-W887 HydrophobicContact CB-CZ2 3.5Å; Q752-W887 VanDerWaalsContact CB-CZ2 3.5Å; Q752-W887 HydrophobicContact CB-CZ3 3.98Å; Q752-W887 HydrophobicContact CG-CD2 4.26Å; Q752-W887 HydrophobicContact CG-CZ2 3.83Å; Q752-W887 PolarHBondContact N-O 3.03Å; Q752-W887 PolarHBondContact O-N 2.96Å; I754-W887 HydrophobicContact CB-CZ3 4.48Å; I754-W887 HydrophobicContact CD1-CH2 3.7Å; I754-W887 HydrophobicContact CD1-CZ3 4.08Å; I754-W887 HydrophobicContact CG1-CH2 3.89Å; I754-W887 HydrophobicContact CG1-CZ3 3.97Å; Q850-W887 HydrophobicContact CG-CH2 3.96Å; Q850-W887 HydrophobicContact CG-CZ2 3.77Å; S853-W887 PolarHBondContact OG-NE1 3.22Å; L854-W887 HydrophobicContact CB-CD2 4.44Å; L854-W887 HydrophobicContact CB-CH2 4.2Å; L854-W887 HydrophobicContact CB-CZ2 3.87Å; L854-W887 HydrophobicContact CD1-CD2 3.87Å; L854-W887 HydrophobicContact CD1-CE3 3.79Å; L854-W887 HydrophobicContact CD1-CG 4.35Å; L854-W887 HydrophobicContact CD1-CZ3 4.16Å; L854-W887 HydrophobicContact CD2-CZ3 4.48Å; C857-W887 HydrophobicContact CB-CB 4.23Å; V885-W887 HydrophobicContact CG1-CE3 4.35Å; W887-T893 CarbonylContact C-O 3.6Å; W887-T893 VanDerWaalsContact CA-O 3.29Å; W887-T893 WeakPolarHBondContact CA-O 3.33Å; W887-T893 WeakPolarHBondContact CB-O 3.29Å
888	N	97.1	Very high	95.2	Very high	26 Å²	26	32.2 Å²	32.2	14%	0.139	19%	0.185	C	C	.	.			trans	-109.9	121.3	173.7	174.7	-67.7	0	0	0	109.2	G749 D751 S890 N891 N892 T893	G749-N888 PolarHBondContact O-ND2 3.23Å; D751-N888 VanDerWaalsContact OD1-CA 3.24Å; D751-N888 WeakPolarHBondContact OD1-CA 3.48Å; N888-S890 VanDerWaalsContact C-N 3.31Å; N888-S890 PolarHBondContact O-N 2.86Å; N888-S890 WeakPolarHBondContact OD1-CA 3.43Å; N888-S890 WeakPolarHBondContact OD1-CB 3.37Å; N888-S890 PolarHBondContact OD1-N 3.21Å; N888-N891 WeakPolarHBondContact CB-OD1 3.49Å; N888-N891 PolarHBondContact OD1-N 2.87Å; N888-N891 PolarHBondContact OD1-OD1 3.35Å; N888-N891 VanDerWaalsContact OD1-OD1 3.12Å; N888-N892 WeakPolarHBondContact O-CA 3.14Å; N888-N892 PolarHBondContact O-N 2.73Å; N888-N892 VanDerWaalsContact O-N 3.11Å; N888-T893 PolarHBondContact N-O 2.88Å
889	T	93.3	Very high	95.7	Very high	58 Å²	58	27.2 Å²	27.2	36%	0.356	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-12.6	-174.5	53.9	0	0	0	0	114.1	D751 Q752	D751-T889 VanDerWaalsContact CG-OG1 3.29Å; D751-T889 PolarHBondContact OD1-N 3.49Å; D751-T889 PolarHBondContact OD1-OG1 3.01Å; D751-T889 VanDerWaalsContact OD1-OG1 3.13Å; D751-T889 WeakPolarHBondContact OD2-CG2 3.4Å; D751-T889 PolarHBondContact OD2-OG1 3.04Å; Q752-T889 HydrophobicContact CG-CG2 3.62Å
890	S	92.4	Very high	96.1	Very high	109 Å²	109	26.4 Å²	26.4	76%	0.762	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-21.3	-178	-58.3	0	0	0	0	113.7	N888	N888-S890 VanDerWaalsContact C-N 3.31Å; N888-S890 PolarHBondContact O-N 2.86Å; N888-S890 WeakPolarHBondContact OD1-CA 3.43Å; N888-S890 WeakPolarHBondContact OD1-CB 3.37Å; N888-S890 PolarHBondContact OD1-N 3.21Å
891	N	92.4	Very high	96.1	Very high	92 Å²	92	26.2 Å²	26.2	49%	0.492	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	3.7	-178.2	72.2	18.5	0	0	0	114.1	N888 T893	N888-N891 WeakPolarHBondContact CB-OD1 3.49Å; N888-N891 PolarHBondContact OD1-N 2.87Å; N888-N891 PolarHBondContact OD1-OD1 3.35Å; N888-N891 VanDerWaalsContact OD1-OD1 3.12Å; N891-T893 PolarHBondContact O-N 2.64Å; N891-T893 WeakPolarHBondContact OD1-CB 3.23Å; N891-T893 WeakPolarHBondContact OD1-CG2 3.36Å; N891-T893 PolarHBondContact OD1-N 2.96Å; N891-T893 PolarHBondContact OD1-OG1 3.47Å
892	N	90.7	Very high	95.6	Very high	92 Å²	92	28.1 Å²	28.1	49%	0.492	17%	0.166	S	C	.	.			trans	56.5	22.4	-179.7	-61	-25.7	0	0	0	115.6	N888	N888-N892 WeakPolarHBondContact O-CA 3.14Å; N888-N892 PolarHBondContact O-N 2.73Å; N888-N892 VanDerWaalsContact O-N 3.11Å
893	T	95.6	Very high	95	Very high	70 Å²	70	35.8 Å²	35.8	43%	0.429	21%	0.208	S	C	.	.			trans	-84.9	144.8	173	62.9	0	0	0	0	111.4	W887 N888 N891	W887-T893 CarbonylContact C-O 3.6Å; W887-T893 VanDerWaalsContact CA-O 3.29Å; W887-T893 WeakPolarHBondContact CA-O 3.33Å; W887-T893 WeakPolarHBondContact CB-O 3.29Å; N888-T893 PolarHBondContact N-O 2.88Å; N891-T893 PolarHBondContact O-N 2.64Å; N891-T893 WeakPolarHBondContact OD1-CB 3.23Å; N891-T893 WeakPolarHBondContact OD1-CG2 3.36Å; N891-T893 PolarHBondContact OD1-N 2.96Å; N891-T893 PolarHBondContact OD1-OG1 3.47Å
894	Y	97.9	Very high	94.7	Very high	32 Å²	32	39 Å²	39	13%	0.125	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	164.1	175.3	73.2	-86.1	0	0	0	111.5	C857 L858 V886 L896 A922	C857-Y894 HydrophobicContact CB-CD1 4.33Å; C857-Y894 WeakPolarHBondContact O-CD1 3.46Å; C857-Y894 WeakPolarHBondContact O-CE1 3.29Å; L858-Y894 HydrophobicContact CD2-CD1 4.26Å; L858-Y894 HydrophobicContact CD2-CD2 3.57Å; L858-Y894 HydrophobicContact CD2-CE1 4.21Å; L858-Y894 HydrophobicContact CD2-CE2 3.52Å; L858-Y894 HydrophobicContact CD2-CG 3.95Å; V886-Y894 CarbonylContact O-C 3.55Å; V886-Y894 VanDerWaalsContact O-CA 3.27Å; V886-Y894 WeakPolarHBondContact O-CA 3.41Å; Y894-L896 HydrophobicContact CD2-CD2 3.83Å; Y894-L896 HydrophobicContact CD2-CG 4.2Å; Y894-L896 HydrophobicContact CE2-CD1 4.38Å; Y894-L896 HydrophobicContact CE2-CD2 4.01Å; Y894-L896 HydrophobicContact CE2-CG 4.06Å; Y894-A922 HydrophobicContact CE2-CB 3.76Å
895	K	98.2	Very high	94.3	Very high	12 Å²	12	49 Å²	49	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	143.5	172.5	179.3	-177.1	-77.8	177	0	110.9	Y745 F750 V886 V897 D923 E925	Y745-K895 HydrophobicContact CE1-CD 4.04Å; F750-K895 HydrophobicContact CE1-CB 4.32Å; F750-K895 HydrophobicContact CZ-CB 4.19Å; V886-K895 HydrophobicContact CG2-CB 3.93Å; V886-K895 PolarHBondContact N-O 3.37Å; V886-K895 PolarHBondContact O-N 2.87Å; K895-V897 HydrophobicContact CB-CG2 4.48Å; K895-V897 HydrophobicContact CD-CG2 3.64Å; K895-V897 HydrophobicContact CG-CG2 3.65Å; K895-D923 WeakPolarHBondContact CA-O 3.28Å; K895-D923 HydrophobicContact CB-CB 4.41Å; K895-D923 WeakPolarHBondContact CE-OD2 3.22Å; K895-D923 HydrophobicContact CG-CB 4.39Å; K895-D923 IonicContact NZ-OD2 2.68Å; K895-E925 HydrophobicContact CD-CB 3.77Å; K895-E925 HydrophobicContact CD-CG 4.45Å; K895-E925 WeakPolarHBondContact CD-OE1 3.4Å; K895-E925 WeakPolarHBondContact CE-OE1 3.46Å; K895-E925 HydrophobicContact CG-CB 4.27Å; K895-E925 IonicContact NZ-OE1 3.64Å; K895-E925 PolarHBondContact NZ-OE1 3.26Å; K895-E925 IonicContact NZ-OE2 2.56Å; K895-E925 PolarHBondContact NZ-OE2 3.47Å
896	L	98.4	Very high	94.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	118.6	176.3	-46.2	-176.8	0	0	0	108.5	F761 L858 F862 P882 V885 Y894 L917 A922 D923 V924 E925	F761-L896 HydrophobicContact CZ-CD1 4.2Å; F761-L896 HydrophobicContact CZ-CD2 3.95Å; L858-L896 HydrophobicContact CD2-CD2 4.48Å; F862-L896 HydrophobicContact CE2-CD1 4.15Å; F862-L896 HydrophobicContact CZ-CD1 3.78Å; P882-L896 HydrophobicContact CB-CB 4.48Å; P882-L896 HydrophobicContact CG-CB 4.16Å; V885-L896 HydrophobicContact CB-CD2 4.38Å; V885-L896 HydrophobicContact CG1-CD2 3.83Å; V885-L896 HydrophobicContact CG2-CD2 4.06Å; Y894-L896 HydrophobicContact CD2-CD2 3.83Å; Y894-L896 HydrophobicContact CD2-CG 4.2Å; Y894-L896 HydrophobicContact CE2-CD1 4.38Å; Y894-L896 HydrophobicContact CE2-CD2 4.01Å; Y894-L896 HydrophobicContact CE2-CG 4.06Å; L896-L917 HydrophobicContact CD1-CB 4.27Å; L896-L917 HydrophobicContact CD1-CD1 3.88Å; L896-L917 HydrophobicContact CD1-CD2 3.8Å; L896-L917 HydrophobicContact CD1-CG 4.19Å; L896-A922 HydrophobicContact CD1-CB 3.8Å; L896-A922 HydrophobicContact CG-CB 4.29Å; L896-D923 PolarHBondContact N-O 3.44Å; L896-V924 HydrophobicContact CB-CG1 4.33Å; L896-V924 WeakPolarHBondContact O-CA 3Å; L896-E925 PolarHBondContact O-N 3.48Å
897	V	98.4	Very high	93.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	123.9	-169.2	-170.9	0	0	0	0	112.2	Y745 D883 L884 V886 K895 V899 E925 C927	Y745-V897 HydrophobicContact CD2-CG2 4.46Å; Y745-V897 HydrophobicContact CE1-CG2 4.18Å; Y745-V897 HydrophobicContact CE2-CB 4.27Å; Y745-V897 HydrophobicContact CE2-CG1 3.81Å; Y745-V897 HydrophobicContact CE2-CG2 3.9Å; D883-V897 PolarHBondContact N-O 3.3Å; L884-V897 HydrophobicContact CB-CB 4.16Å; L884-V897 HydrophobicContact CD1-CB 4.49Å; L884-V897 PolarHBondContact N-O 3.49Å; L884-V897 PolarHBondContact O-N 3.11Å; V886-V897 HydrophobicContact CG2-CG2 4.38Å; K895-V897 HydrophobicContact CB-CG2 4.48Å; K895-V897 HydrophobicContact CD-CG2 3.64Å; K895-V897 HydrophobicContact CG-CG2 3.65Å; V897-V899 HydrophobicContact CG1-CG2 4.31Å; V897-E925 WeakPolarHBondContact CA-O 3.45Å; V897-E925 HydrophobicContact CG2-CB 4.5Å; V897-C927 HydrophobicContact CG1-CB 3.53Å
898	E	98.4	Very high	93.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.7	170.9	170.1	73	-146.1	0	0	108.9	P882 D883 K900 L906 Q910 L914 E925 V926 C927	P882-E898 HydrophobicContact CB-CB 4.34Å; D883-E898 WeakPolarHBondContact OD2-CA 3.35Å; E898-K900 WeakPolarHBondContact OE1-CE 3.4Å; E898-K900 IonicContact OE1-NZ 3.17Å; E898-K900 PolarHBondContact OE1-NZ 2.7Å; E898-L906 HydrophobicContact CG-CD2 3.51Å; E898-Q910 VanDerWaalsContact CD-CD 3.42Å; E898-Q910 PolarHBondContact OE1-NE2 3.29Å; E898-Q910 PolarHBondContact OE1-OE1 2.85Å; E898-Q910 VanDerWaalsContact OE2-CG 3.27Å; E898-Q910 WeakPolarHBondContact OE2-CG 3.31Å; E898-Q910 PolarHBondContact OE2-NE2 3.5Å; E898-L914 HydrophobicContact CB-CD1 4.31Å; E898-L914 HydrophobicContact CB-CD2 4.31Å; E898-L914 HydrophobicContact CG-CD1 4.42Å; E898-E925 PolarHBondContact N-O 3.28Å; E898-V926 HydrophobicContact CB-CG2 4.38Å; E898-V926 HydrophobicContact CG-CG1 4.34Å; E898-V926 CarbonylContact O-C 3.5Å; E898-V926 WeakPolarHBondContact O-CA 3.22Å; E898-C927 PolarHBondContact O-N 3.19Å
899	V	97.1	Very high	93.3	Very high	7 Å²	7	57.9 Å²	57.9	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	116.3	-169.3	178.9	0	0	0	0	110.7	V737 S741 D883 L884 V897 V929	V737-V899 HydrophobicContact CB-CG1 4.45Å; V737-V899 HydrophobicContact CG1-CG1 4.09Å; V737-V899 HydrophobicContact CG2-CG1 3.88Å; S741-V899 WeakPolarHBondContact OG-CG1 3.39Å; D883-V899 PolarHBondContact OD2-N 3.43Å; L884-V899 HydrophobicContact CD1-CG2 3.64Å; L884-V899 HydrophobicContact CG-CG2 3.81Å; V897-V899 HydrophobicContact CG1-CG2 4.31Å; V899-V929 HydrophobicContact CG1-CG2 4.17Å
900	K	95.8	Very high	93.4	Very high	10 Å²	10	56.3 Å²	56.3	4%	0.043	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	102.9	-178.6	-66.4	-52.4	-175.6	-159.4	0	112.5	E898 D904 R905 L906 V926 C927 H928 V929	E898-K900 WeakPolarHBondContact OE1-CE 3.4Å; E898-K900 IonicContact OE1-NZ 3.17Å; E898-K900 PolarHBondContact OE1-NZ 2.7Å; K900-D904 HydrophobicContact CD-CB 4.1Å; K900-D904 WeakPolarHBondContact CD-OD2 3.32Å; K900-D904 WeakPolarHBondContact CE-OD2 3.18Å; K900-D904 IonicContact NZ-OD2 3.08Å; K900-D904 PolarHBondContact NZ-OD2 2.93Å; K900-R905 VanDerWaalsContact CE-C 3.49Å; K900-R905 WeakPolarHBondContact CE-O 3.45Å; K900-L906 HydrophobicContact CG-CD2 4.45Å; K900-V926 HydrophobicContact CG-CG1 3.86Å; K900-C927 PolarHBondContact N-O 3.39Å; K900-H928 CarbonylContact O-C 3.57Å; K900-H928 WeakPolarHBondContact O-CA 3.37Å; K900-V929 PolarHBondContact O-N 2.91Å
901	G	91	Very high	93.5	Very high	14 Å²	14	53.1 Å²	53.1	14%	0.144	27%	0.269	C	S	.	.			trans	-68.8	172.1	172.2	0	0	0	0	0	113.6	N903 D904	G901-N903 PolarHBondContact O-N 3.34Å; G901-N903 VanDerWaalsContact O-N 3.14Å; G901-D904 PolarHBondContact O-N 2.96Å
902	P	85.1	Confident	93.6	Very high	42 Å²	42	49.4 Å²	49.4	27%	0.273	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	119.7	-174.3	-27	34.2	0	0	0	113.4	F717 D904 V929 A931	F717-P902 HydrophobicContact CZ-CG 4.11Å; P902-D904 VanDerWaalsContact C-N 3.34Å; P902-V929 WeakPolarHBondContact CD-O 3.39Å; P902-V929 WeakPolarHBondContact CG-O 3.43Å; P902-A931 HydrophobicContact CG-CB 4.05Å
903	N	83.1	Confident	93.8	Very high	163 Å²	163	45.3 Å²	45.3	87%	0.872	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	-0.7	-177.4	-43	-87.4	0	0	0	116.8	G901	G901-N903 PolarHBondContact O-N 3.34Å; G901-N903 VanDerWaalsContact O-N 3.14Å
904	D	90.1	Very high	93.8	Very high	89 Å²	89	42.1 Å²	42.1	48%	0.476	21%	0.207	S	C	.	.			trans	-74.9	162.8	173.8	-166.4	28.6	0	0	0	112.2	K900 G901 P902	K900-D904 HydrophobicContact CD-CB 4.1Å; K900-D904 WeakPolarHBondContact CD-OD2 3.32Å; K900-D904 WeakPolarHBondContact CE-OD2 3.18Å; K900-D904 IonicContact NZ-OD2 3.08Å; K900-D904 PolarHBondContact NZ-OD2 2.93Å; G901-D904 PolarHBondContact O-N 2.96Å; P902-D904 VanDerWaalsContact C-N 3.34Å
905	R	90.5	Very high	93.7	Very high	209 Å²	209	40.8 Å²	40.8	79%	0.789	20%	0.202	S	C	*	.			trans	-145.3	149.6	-177.4	-60.7	-173.7	-178	-151.4	-2.9	111.5	K900 S907	K900-R905 VanDerWaalsContact CE-C 3.49Å; K900-R905 WeakPolarHBondContact CE-O 3.45Å; R905-S907 PolarHBondContact O-N 2.92Å
906	L	93.9	Very high	93.5	Very high	31 Å²	31	42.7 Å²	42.7	16%	0.162	21%	0.211	C	C	.	.			trans	-56.2	123.8	174	-60.8	173.8	0	0	0	111	E898 K900 Q910 Q911 L914 V926	E898-L906 HydrophobicContact CG-CD2 3.51Å; K900-L906 HydrophobicContact CG-CD2 4.45Å; L906-Q910 HydrophobicContact CD2-CB 4.45Å; L906-Q911 HydrophobicContact CB-CG 3.76Å; L906-Q911 HydrophobicContact CD1-CG 4.22Å; L906-Q911 PolarHBondContact O-NE2 3.31Å; L906-L914 HydrophobicContact CD1-CD1 4.35Å; L906-L914 HydrophobicContact CD2-CD1 3.83Å; L906-V926 HydrophobicContact CD1-CG2 4.21Å; L906-V926 HydrophobicContact CD2-CG1 3.91Å; L906-V926 HydrophobicContact CD2-CG2 3.97Å
907	S	92.5	Very high	93.4	Very high	45 Å²	45	42.7 Å²	42.7	32%	0.315	21%	0.211	S	C	.	.			trans	-70.8	162.5	169.5	68.5	0	0	0	0	111.5	R905 K909 Q910 Q911	R905-S907 PolarHBondContact O-N 2.92Å; S907-K909 PolarHBondContact O-N 3.11Å; S907-Q910 PolarHBondContact O-N 2.95Å; S907-Q910 VanDerWaalsContact O-N 3.13Å; S907-Q910 VanDerWaalsContact OG-CD 3.3Å; S907-Q910 VanDerWaalsContact OG-CG 3.32Å; S907-Q910 WeakPolarHBondContact OG-CG 3.48Å; S907-Q910 PolarHBondContact OG-N 2.97Å; S907-Q910 PolarHBondContact OG-OE1 3.49Å; S907-Q911 WeakPolarHBondContact O-CG 3.13Å; S907-Q911 PolarHBondContact O-N 2.94Å
908	Q	92.4	Very high	93.4	Very high	61 Å²	61	45.9 Å²	45.9	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-57.7	-34.5	176.4	-76.5	69.6	27	0	0	112.4	L663 I912	L663-Q908 HydrophobicContact CB-CG 4.41Å; L663-Q908 HydrophobicContact CD2-CB 3.85Å; L663-Q908 HydrophobicContact CD2-CG 3.88Å; L663-Q908 HydrophobicContact CG-CB 4.46Å; L663-Q908 HydrophobicContact CG-CG 4.09Å; Q908-I912 VanDerWaalsContact O-CD1 3.3Å; Q908-I912 WeakPolarHBondContact O-CD1 3.37Å; Q908-I912 WeakPolarHBondContact O-CG1 3.4Å; Q908-I912 PolarHBondContact O-N 3.13Å
909	K	91.9	Very high	93.2	Very high	80 Å²	80	51 Å²	51	35%	0.348	25%	0.248	S	C	.	.	H	α-helix	trans	-68.4	-41.6	176.6	-70.4	-155.9	177	-165.1	0	112.4	H876 G879 S907 I912 W913	H876-K909 PolarHBondContact O-NZ 3.33Å; G879-K909 WeakPolarHBondContact O-CD 3.48Å; S907-K909 PolarHBondContact O-N 3.11Å; K909-I912 PolarHBondContact O-N 2.95Å; K909-W913 PolarHBondContact O-N 3.14Å
910	Q	94.9	Very high	93.2	Very high	24 Å²	24	53.5 Å²	53.5	11%	0.112	26%	0.261	C	S	.	.	H	α-helix	trans	-66.2	-42.1	178.9	-71.3	164	-39.3	0	0	111.7	G880 E898 L906 S907 I912 W913 L914	G880-Q910 WeakPolarHBondContact O-CA 3.47Å; G880-Q910 WeakPolarHBondContact O-CG 3.35Å; E898-Q910 VanDerWaalsContact CD-CD 3.42Å; E898-Q910 PolarHBondContact OE1-NE2 3.29Å; E898-Q910 PolarHBondContact OE1-OE1 2.85Å; E898-Q910 VanDerWaalsContact OE2-CG 3.27Å; E898-Q910 WeakPolarHBondContact OE2-CG 3.31Å; E898-Q910 PolarHBondContact OE2-NE2 3.5Å; L906-Q910 HydrophobicContact CD2-CB 4.45Å; S907-Q910 PolarHBondContact O-N 2.95Å; S907-Q910 VanDerWaalsContact O-N 3.13Å; S907-Q910 VanDerWaalsContact OG-CD 3.3Å; S907-Q910 VanDerWaalsContact OG-CG 3.32Å; S907-Q910 WeakPolarHBondContact OG-CG 3.48Å; S907-Q910 PolarHBondContact OG-N 2.97Å; S907-Q910 PolarHBondContact OG-OE1 3.49Å; Q910-I912 VanDerWaalsContact C-N 3.3Å; Q910-I912 PolarHBondContact O-N 3.47Å; Q910-W913 PolarHBondContact O-N 3.12Å; Q910-L914 WeakPolarHBondContact O-CB 3.49Å; Q910-L914 WeakPolarHBondContact O-CD1 3.27Å; Q910-L914 VanDerWaalsContact O-CG 3.24Å; Q910-L914 WeakPolarHBondContact O-CG 3.41Å; Q910-L914 PolarHBondContact O-N 3.34Å
911	Q	95.1	Very high	93.2	Very high	43 Å²	43	56 Å²	56	20%	0.201	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-42.9	174.6	-67.1	167.6	29.9	0	0	111.9	L663 I693 L906 S907 D915	L663-Q911 HydrophobicContact CD2-CB 4.2Å; I693-Q911 HydrophobicContact CD1-CB 4.4Å; I693-Q911 HydrophobicContact CG2-CB 4.43Å; L906-Q911 HydrophobicContact CB-CG 3.76Å; L906-Q911 HydrophobicContact CD1-CG 4.22Å; L906-Q911 PolarHBondContact O-NE2 3.31Å; S907-Q911 WeakPolarHBondContact O-CG 3.13Å; S907-Q911 PolarHBondContact O-N 2.94Å; Q911-D915 VanDerWaalsContact O-CB 3.31Å; Q911-D915 WeakPolarHBondContact O-CB 3.35Å; Q911-D915 PolarHBondContact O-N 3.43Å
912	I	93.9	Very high	93.5	Very high	13 Å²	13	55.7 Å²	55.7	7%	0.067	29%	0.286	C	S	.	.	H	α-helix	trans	-68.4	-42.5	176.6	-68.7	160.5	0	0	0	111.5	T659 G660 L663 I693 Q908 K909 Q910 E916	T659-I912 VanDerWaalsContact C-CD1 3.41Å; G660-I912 VanDerWaalsContact CA-CD1 3.41Å; G660-I912 VanDerWaalsContact N-CD1 3.32Å; L663-I912 HydrophobicContact CB-CD1 4.23Å; L663-I912 HydrophobicContact CD2-CD1 4.13Å; L663-I912 HydrophobicContact CD2-CG1 4.07Å; I693-I912 HydrophobicContact CD1-CG1 3.56Å; Q908-I912 VanDerWaalsContact O-CD1 3.3Å; Q908-I912 WeakPolarHBondContact O-CD1 3.37Å; Q908-I912 WeakPolarHBondContact O-CG1 3.4Å; Q908-I912 PolarHBondContact O-N 3.13Å; K909-I912 PolarHBondContact O-N 2.95Å; Q910-I912 VanDerWaalsContact C-N 3.3Å; Q910-I912 PolarHBondContact O-N 3.47Å; I912-E916 HydrophobicContact CG2-CG 4.19Å; I912-E916 WeakPolarHBondContact O-CB 3.42Å; I912-E916 WeakPolarHBondContact O-CG 3.32Å; I912-E916 PolarHBondContact O-N 3.16Å
913	W	95.1	Very high	94	Very high	7 Å²	7	57 Å²	57	3%	0.027	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-42.8	-180	-97.5	124	0	0	0	112.5	R869 M870 C877 G880 L881 K909 Q910 E916 L917	R869-W913 HydrophobicContact CG-CH2 4.29Å; M870-W913 HydrophobicContact CG-CH2 4.13Å; M870-W913 HydrophobicContact CG-CZ2 4.38Å; C877-W913 HydrophobicContact CB-CZ2 3.71Å; C877-W913 WeakPolarHBondContact O-CZ2 3.47Å; C877-W913 PolarHBondContact O-NE1 3.08Å; G880-W913 VanDerWaalsContact O-CB 3.27Å; G880-W913 WeakPolarHBondContact O-CB 3.46Å; G880-W913 VanDerWaalsContact O-CD1 3.31Å; L881-W913 HydrophobicContact CD1-CH2 4.42Å; L881-W913 HydrophobicContact CD1-CZ2 3.9Å; L881-W913 HydrophobicContact CD2-CD2 3.62Å; L881-W913 HydrophobicContact CD2-CE3 3.66Å; L881-W913 HydrophobicContact CD2-CG 4.23Å; L881-W913 HydrophobicContact CD2-CH2 3.71Å; L881-W913 HydrophobicContact CD2-CZ2 3.68Å; L881-W913 HydrophobicContact CD2-CZ3 3.71Å; L881-W913 HydrophobicContact CG-CD2 3.92Å; L881-W913 HydrophobicContact CG-CE3 4.44Å; L881-W913 HydrophobicContact CG-CG 4.27Å; L881-W913 HydrophobicContact CG-CH2 4.23Å; L881-W913 HydrophobicContact CG-CZ2 3.69Å; K909-W913 PolarHBondContact O-N 3.14Å; Q910-W913 PolarHBondContact O-N 3.12Å; W913-E916 PolarHBondContact O-N 3.19Å; W913-L917 HydrophobicContact CE3-CD1 4.28Å; W913-L917 HydrophobicContact CE3-CD2 4.25Å; W913-L917 HydrophobicContact CE3-CG 3.95Å; W913-L917 HydrophobicContact CZ3-CD2 4.18Å; W913-L917 HydrophobicContact CZ3-CG 4.38Å; W913-L917 VanDerWaalsContact O-CB 3.3Å; W913-L917 WeakPolarHBondContact O-CB 3.39Å; W913-L917 WeakPolarHBondContact O-CD1 3.4Å; W913-L917 WeakPolarHBondContact O-CG 3.45Å; W913-L917 PolarHBondContact O-N 2.81Å
914	L	96.3	Very high	94.7	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-60.7	-48.4	177.8	-71.3	163.4	0	0	0	111.5	V696 P882 E898 L906 Q910 E916 L917 Q918 V924 V926	V696-L914 HydrophobicContact CG1-CB 3.97Å; V696-L914 HydrophobicContact CG2-CB 4.23Å; V696-L914 HydrophobicContact CG2-CD1 4.14Å; P882-L914 HydrophobicContact CG-CD2 4.04Å; E898-L914 HydrophobicContact CB-CD1 4.31Å; E898-L914 HydrophobicContact CB-CD2 4.31Å; E898-L914 HydrophobicContact CG-CD1 4.42Å; L906-L914 HydrophobicContact CD1-CD1 4.35Å; L906-L914 HydrophobicContact CD2-CD1 3.83Å; Q910-L914 WeakPolarHBondContact O-CB 3.49Å; Q910-L914 WeakPolarHBondContact O-CD1 3.27Å; Q910-L914 VanDerWaalsContact O-CG 3.24Å; Q910-L914 WeakPolarHBondContact O-CG 3.41Å; Q910-L914 PolarHBondContact O-N 3.34Å; L914-E916 VanDerWaalsContact C-N 3.32Å; L914-E916 PolarHBondContact O-N 3Å; L914-L917 PolarHBondContact O-N 3.06Å; L914-Q918 WeakPolarHBondContact O-CB 3.3Å; L914-Q918 PolarHBondContact O-N 3.11Å; L914-V924 HydrophobicContact CD2-CB 4.2Å; L914-V926 HydrophobicContact CD1-CG2 3.84Å
915	D	95.3	Very high	95.1	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-35.4	175	166.6	62.6	0	0	0	113.2	I693 Q694 Q911 K919	I693-D915 HydrophobicContact CG2-CB 3.74Å; Q694-D915 WeakPolarHBondContact CB-OD1 3.26Å; Q694-D915 WeakPolarHBondContact CG-OD1 3.48Å; Q694-D915 PolarHBondContact N-OD1 3.41Å; Q911-D915 VanDerWaalsContact O-CB 3.31Å; Q911-D915 WeakPolarHBondContact O-CB 3.35Å; Q911-D915 PolarHBondContact O-N 3.43Å; D915-K919 VanDerWaalsContact CG-CE 3.41Å; D915-K919 WeakPolarHBondContact O-CD 3.12Å; D915-K919 VanDerWaalsContact O-CE 3.29Å; D915-K919 WeakPolarHBondContact O-CE 3.35Å; D915-K919 VanDerWaalsContact O-CG 3.28Å; D915-K919 WeakPolarHBondContact O-CG 3.42Å; D915-K919 PolarHBondContact O-N 2.88Å; D915-K919 WeakPolarHBondContact OD1-CE 3.38Å; D915-K919 IonicContact OD1-NZ 3.69Å; D915-K919 PolarHBondContact OD1-NZ 2.75Å; D915-K919 WeakPolarHBondContact OD2-CE 3.39Å; D915-K919 IonicContact OD2-NZ 2.72Å; D915-K919 PolarHBondContact OD2-NZ 3.5Å
916	E	94.8	Very high	95.4	Very high	51 Å²	51	35.6 Å²	35.6	24%	0.238	19%	0.192	C	C	.	.	H	α-helix	trans	-85.6	-31.9	-178.5	-60.4	-95.4	104.9	0	0	112.4	R869 I912 W913 L914 Q918 K919 L920	R869-E916 IonicContact CZ-OE2 2.75Å; R869-E916 IonicContact NH1-OE2 3.75Å; R869-E916 PolarHBondContact NH1-OE2 3.46Å; R869-E916 VanDerWaalsContact NH2-CG 3.32Å; R869-E916 IonicContact NH2-OE2 2.89Å; R869-E916 PolarHBondContact NH2-OE2 3.46Å; I912-E916 HydrophobicContact CG2-CG 4.19Å; I912-E916 WeakPolarHBondContact O-CB 3.42Å; I912-E916 WeakPolarHBondContact O-CG 3.32Å; I912-E916 PolarHBondContact O-N 3.16Å; W913-E916 PolarHBondContact O-N 3.19Å; L914-E916 VanDerWaalsContact C-N 3.32Å; L914-E916 PolarHBondContact O-N 3Å; E916-Q918 VanDerWaalsContact C-N 3.33Å; E916-K919 PolarHBondContact O-N 2.82Å; E916-K919 WeakPolarHBondContact OE1-CD 3.47Å; E916-K919 IonicContact OE1-NZ 3.62Å; E916-K919 PolarHBondContact OE1-NZ 3.03Å; E916-L920 WeakPolarHBondContact O-CG 3.5Å; E916-L920 PolarHBondContact O-N 3.46Å; E916-L920 VanDerWaalsContact O-N 3.12Å
917	L	96.8	Very high	95.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.6	-37.3	169.3	-70.2	164.9	0	0	0	111	F862 V866 L881 P882 L896 W913 L914 L920 G921 A922 V924	F862-L917 HydrophobicContact CE2-CD2 3.64Å; F862-L917 HydrophobicContact CZ-CD2 3.63Å; V866-L917 HydrophobicContact CG2-CD2 4.13Å; L881-L917 HydrophobicContact CD2-CD1 4.29Å; P882-L917 HydrophobicContact CG-CD1 3.81Å; L896-L917 HydrophobicContact CD1-CB 4.27Å; L896-L917 HydrophobicContact CD1-CD1 3.88Å; L896-L917 HydrophobicContact CD1-CD2 3.8Å; L896-L917 HydrophobicContact CD1-CG 4.19Å; W913-L917 HydrophobicContact CE3-CD1 4.28Å; W913-L917 HydrophobicContact CE3-CD2 4.25Å; W913-L917 HydrophobicContact CE3-CG 3.95Å; W913-L917 HydrophobicContact CZ3-CD2 4.18Å; W913-L917 HydrophobicContact CZ3-CG 4.38Å; W913-L917 VanDerWaalsContact O-CB 3.3Å; W913-L917 WeakPolarHBondContact O-CB 3.39Å; W913-L917 WeakPolarHBondContact O-CD1 3.4Å; W913-L917 WeakPolarHBondContact O-CG 3.45Å; W913-L917 PolarHBondContact O-N 2.81Å; L914-L917 PolarHBondContact O-N 3.06Å; L917-L920 CarbonylContact O-C 3.56Å; L917-L920 PolarHBondContact O-N 3.06Å; L917-G921 PolarHBondContact O-N 3.13Å; L917-A922 PolarHBondContact O-N 3.21Å; L917-A922 VanDerWaalsContact O-N 3.15Å; L917-V924 HydrophobicContact CB-CG1 3.71Å
918	Q	96.4	Very high	95.8	Very high	68 Å²	68	34.4 Å²	34.4	32%	0.318	18%	0.181	S	C	.	.	H	α-helix	trans	-63	-40.1	172.5	-163.2	177.7	11	0	0	112.1	L914 E916 L920 G921 V924	L914-Q918 WeakPolarHBondContact O-CB 3.3Å; L914-Q918 PolarHBondContact O-N 3.11Å; E916-Q918 VanDerWaalsContact C-N 3.33Å; Q918-L920 VanDerWaalsContact C-N 3.26Å; Q918-L920 PolarHBondContact O-N 3.44Å; Q918-G921 PolarHBondContact O-N 2.86Å; Q918-V924 HydrophobicContact CB-CG2 3.8Å; Q918-V924 HydrophobicContact CG-CG2 4.04Å
919	K	95.8	Very high	95.9	Very high	106 Å²	106	31.7 Å²	31.7	46%	0.461	17%	0.168	S	C	.	.	H	α-helix	trans	-66.3	-26.1	174.1	-69.9	164.8	-152.8	168.9	0	113.2	D915 E916 G921	D915-K919 VanDerWaalsContact CG-CE 3.41Å; D915-K919 WeakPolarHBondContact O-CD 3.12Å; D915-K919 VanDerWaalsContact O-CE 3.29Å; D915-K919 WeakPolarHBondContact O-CE 3.35Å; D915-K919 VanDerWaalsContact O-CG 3.28Å; D915-K919 WeakPolarHBondContact O-CG 3.42Å; D915-K919 PolarHBondContact O-N 2.88Å; D915-K919 WeakPolarHBondContact OD1-CE 3.38Å; D915-K919 IonicContact OD1-NZ 3.69Å; D915-K919 PolarHBondContact OD1-NZ 2.75Å; D915-K919 WeakPolarHBondContact OD2-CE 3.39Å; D915-K919 IonicContact OD2-NZ 2.72Å; D915-K919 PolarHBondContact OD2-NZ 3.5Å; E916-K919 PolarHBondContact O-N 2.82Å; E916-K919 WeakPolarHBondContact OE1-CD 3.47Å; E916-K919 IonicContact OE1-NZ 3.62Å; E916-K919 PolarHBondContact OE1-NZ 3.03Å; K919-G921 VanDerWaalsContact C-N 3.25Å
920	L	96.6	Very high	95.9	Very high	60 Å²	60	30.8 Å²	30.8	31%	0.314	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	2.7	170.3	-64.5	178.6	0	0	0	113.4	F862 V866 E916 L917 Q918	F862-L920 HydrophobicContact CD2-CB 3.76Å; F862-L920 HydrophobicContact CE2-CB 4.2Å; V866-L920 HydrophobicContact CG2-CD1 3.77Å; E916-L920 WeakPolarHBondContact O-CG 3.5Å; E916-L920 PolarHBondContact O-N 3.46Å; E916-L920 VanDerWaalsContact O-N 3.12Å; L917-L920 CarbonylContact O-C 3.56Å; L917-L920 PolarHBondContact O-N 3.06Å; Q918-L920 VanDerWaalsContact C-N 3.26Å; Q918-L920 PolarHBondContact O-N 3.44Å
921	G	95.6	Very high	95.5	Very high	64 Å²	64	31.9 Å²	31.9	66%	0.66	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	7.9	173	0	0	0	0	0	116.1	L917 Q918 K919	L917-G921 PolarHBondContact O-N 3.13Å; Q918-G921 PolarHBondContact O-N 2.86Å; K919-G921 VanDerWaalsContact C-N 3.25Å
922	A	96.6	Very high	94.9	Very high	7 Å²	7	32 Å²	32	6%	0.058	19%	0.186	C	C	.	.			trans	-75.4	145.2	178.2	0	0	0	0	0	113	F862 Y894 L896 L917 V924	F862-A922 HydrophobicContact CD2-CB 4.11Å; F862-A922 HydrophobicContact CE2-CB 3.71Å; Y894-A922 HydrophobicContact CE2-CB 3.76Å; L896-A922 HydrophobicContact CD1-CB 3.8Å; L896-A922 HydrophobicContact CG-CB 4.29Å; L917-A922 PolarHBondContact O-N 3.21Å; L917-A922 VanDerWaalsContact O-N 3.15Å; A922-V924 HydrophobicContact CB-CG1 4.19Å; A922-V924 PolarHBondContact O-N 2.9Å
923	D	96.9	Very high	93.6	Very high	70 Å²	70	33.8 Å²	33.8	37%	0.374	21%	0.208	S	C	.	.			trans	-70.2	115.7	162.6	-172.6	4.2	0	0	0	108.6	K895 L896	K895-D923 WeakPolarHBondContact CA-O 3.28Å; K895-D923 HydrophobicContact CB-CB 4.41Å; K895-D923 WeakPolarHBondContact CE-OD2 3.22Å; K895-D923 HydrophobicContact CG-CB 4.39Å; K895-D923 IonicContact NZ-OD2 2.68Å; L896-D923 PolarHBondContact N-O 3.44Å
924	V	97.9	Very high	91.7	Very high	6 Å²	6	37.5 Å²	37.5	4%	0.036	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.7	-175.8	-68	0	0	0	0	110.4	V696 L896 L914 L917 Q918 A922	V696-V924 HydrophobicContact CB-CG2 4.18Å; V696-V924 HydrophobicContact CG1-CG2 3.68Å; L896-V924 HydrophobicContact CB-CG1 4.33Å; L896-V924 WeakPolarHBondContact O-CA 3Å; L914-V924 HydrophobicContact CD2-CB 4.2Å; L917-V924 HydrophobicContact CB-CG1 3.71Å; Q918-V924 HydrophobicContact CB-CG2 3.8Å; Q918-V924 HydrophobicContact CG-CG2 4.04Å; A922-V924 HydrophobicContact CB-CG1 4.19Å; A922-V924 PolarHBondContact O-N 2.9Å
925	E	97.3	Very high	89.4	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.019	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.7	-172.3	-159.7	166.2	70	0	0	111.5	K697 V699 Y745 K895 L896 V897 E898	K697-E925 HydrophobicContact CB-CG 4.41Å; K697-E925 HydrophobicContact CD-CG 4.4Å; K697-E925 VanDerWaalsContact CD-OE2 3.24Å; K697-E925 WeakPolarHBondContact CD-OE2 3.4Å; K697-E925 WeakPolarHBondContact CE-OE2 3.48Å; K697-E925 HydrophobicContact CG-CG 4.33Å; K697-E925 IonicContact NZ-OE2 3.56Å; K697-E925 PolarHBondContact NZ-OE2 2.68Å; K697-E925 CarbonylContact O-C 3.56Å; K697-E925 VanDerWaalsContact O-CA 3.31Å; K697-E925 WeakPolarHBondContact O-CA 3.49Å; V699-E925 HydrophobicContact CB-CG 4.48Å; V699-E925 VanDerWaalsContact CG1-CD 3.46Å; V699-E925 HydrophobicContact CG1-CG 3.84Å; V699-E925 WeakPolarHBondContact CG1-OE2 3.42Å; V699-E925 HydrophobicContact CG2-CG 3.93Å; Y745-E925 WeakPolarHBondContact CE1-OE1 3.39Å; Y745-E925 PolarHBondContact OH-OE1 3.37Å; K895-E925 HydrophobicContact CD-CB 3.77Å; K895-E925 HydrophobicContact CD-CG 4.45Å; K895-E925 WeakPolarHBondContact CD-OE1 3.4Å; K895-E925 WeakPolarHBondContact CE-OE1 3.46Å; K895-E925 HydrophobicContact CG-CB 4.27Å; K895-E925 IonicContact NZ-OE1 3.64Å; K895-E925 PolarHBondContact NZ-OE1 3.26Å; K895-E925 IonicContact NZ-OE2 2.56Å; K895-E925 PolarHBondContact NZ-OE2 3.47Å; L896-E925 PolarHBondContact O-N 3.48Å; V897-E925 WeakPolarHBondContact CA-O 3.45Å; V897-E925 HydrophobicContact CG2-CB 4.5Å; E898-E925 PolarHBondContact N-O 3.28Å
926	V	98.2	Very high	86.9	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.9	173.2	-172.8	0	0	0	0	108.9	V696 K697 H698 V699 E898 K900 L906 L914 H928	V696-V926 HydrophobicContact CG2-CG2 3.64Å; K697-V926 PolarHBondContact O-N 3.07Å; H698-V926 WeakPolarHBondContact CA-O 3.44Å; V699-V926 PolarHBondContact N-O 3.07Å; E898-V926 HydrophobicContact CB-CG2 4.38Å; E898-V926 HydrophobicContact CG-CG1 4.34Å; E898-V926 CarbonylContact O-C 3.5Å; E898-V926 WeakPolarHBondContact O-CA 3.22Å; K900-V926 HydrophobicContact CG-CG1 3.86Å; L906-V926 HydrophobicContact CD1-CG2 4.21Å; L906-V926 HydrophobicContact CD2-CG1 3.91Å; L906-V926 HydrophobicContact CD2-CG2 3.97Å; L914-V926 HydrophobicContact CD1-CG2 3.84Å; V926-H928 VanDerWaalsContact CG1-NE2 3.35Å; V926-H928 WeakPolarHBondContact CG1-NE2 3.47Å; V926-H928 PolarHBondContact O-CD2 2.85Å
927	C	97.8	Very high	84.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	102.6	-175.1	-171.2	0	0	0	0	110.8	V699 Y745 V897 E898 K900	V699-C927 HydrophobicContact CG2-CB 4.01Å; Y745-C927 HydrophobicContact CE2-CB 4.43Å; Y745-C927 WeakPolarHBondContact OH-CB 3.42Å; V897-C927 HydrophobicContact CG1-CB 3.53Å; E898-C927 PolarHBondContact O-N 3.19Å; K900-C927 PolarHBondContact N-O 3.39Å
928	H	96.8	Very high	81.5	Confident	51 Å²	51	59.7 Å²	59.7	24%	0.236	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.8	179	-62.9	-96.2	0	0	0	110.4	H698 V699 T700 I701 K900 V926	H698-H928 AromaticContact CE1-NE2 3.47Å; H698-H928 PolarHBondContact CE1-NE2 3.06Å; H698-H928 AromaticContact CG-NE2 3.59Å; H698-H928 AromaticContact ND1-CD2 3.97Å; H698-H928 AromaticContact ND1-CE1 3.96Å; H698-H928 AromaticContact ND1-NE2 3.13Å; H698-H928 PolarHBondContact ND1-NE2 3.15Å; H698-H928 VanDerWaalsContact ND1-NE2 3.13Å; V699-H928 PolarHBondContact O-CD2 3.31Å; V699-H928 PolarHBondContact O-N 3.33Å; T700-H928 CarbonylContact C-O 3.57Å; T700-H928 VanDerWaalsContact CA-O 3.28Å; T700-H928 WeakPolarHBondContact CA-O 3.49Å; I701-H928 PolarHBondContact N-O 3.39Å; K900-H928 CarbonylContact O-C 3.57Å; K900-H928 WeakPolarHBondContact O-CA 3.37Å; V926-H928 VanDerWaalsContact CG1-NE2 3.35Å; V926-H928 WeakPolarHBondContact CG1-NE2 3.47Å; V926-H928 PolarHBondContact O-CD2 2.85Å
929	V	94	Very high	78.7	Confident	4 Å²	4	62.6 Å²	62.6	2%	0.024	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.1	179.5	-175.4	0	0	0	0	110.2	I701 F717 V737 L740 V899 K900 P902	I701-V929 HydrophobicContact CD1-CG2 3.89Å; I701-V929 HydrophobicContact CG1-CB 4.33Å; I701-V929 HydrophobicContact CG1-CG1 4.36Å; I701-V929 HydrophobicContact CG1-CG2 3.78Å; F717-V929 HydrophobicContact CE1-CG1 3.93Å; F717-V929 HydrophobicContact CE2-CG1 4.11Å; F717-V929 HydrophobicContact CZ-CG1 3.68Å; V737-V929 HydrophobicContact CG2-CB 3.57Å; V737-V929 HydrophobicContact CG2-CG1 3.97Å; V737-V929 HydrophobicContact CG2-CG2 3.36Å; L740-V929 HydrophobicContact CD2-CG1 3.66Å; V899-V929 HydrophobicContact CG1-CG2 4.17Å; K900-V929 PolarHBondContact O-N 2.91Å; P902-V929 WeakPolarHBondContact CD-O 3.39Å; P902-V929 WeakPolarHBondContact CG-O 3.43Å
930	T	92	Very high	76	Confident	61 Å²	61	62.8 Å²	62.8	37%	0.374	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.5	175.6	55.2	0	0	0	0	111.2	T700 I701 R702 G703 T932	T700-T930 HydrophobicContact CG2-CG2 3.56Å; I701-T930 PolarHBondContact O-N 3.27Å; I701-T930 PolarHBondContact O-OG1 3.45Å; R702-T930 WeakPolarHBondContact CA-O 3.16Å; G703-T930 PolarHBondContact N-O 3.12Å; T930-T932 PolarHBondContact O-N 3.16Å
931	A	86.6	Confident	73.3	Confident	48 Å²	48	67.4 Å²	67.4	40%	0.397	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	116.9	-179.8	0	0	0	0	0	111.4	G703 L705 F717 P902	G703-A931 WeakPolarHBondContact O-CA 3.26Å; L705-A931 HydrophobicContact CB-CB 4.03Å; L705-A931 HydrophobicContact CD2-CB 4.29Å; F717-A931 HydrophobicContact CE1-CB 4.43Å; P902-A931 HydrophobicContact CG-CB 4.05Å
932	T	83.3	Confident	70.7	Confident	45 Å²	45	71 Å²	71	28%	0.276	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.7	165.9	55	0	0	0	0	109.8	R702 G703 Q704 L705 T930	R702-T932 HydrophobicContact CB-CG2 3.95Å; R702-T932 HydrophobicContact CG-CG2 4.17Å; G703-T932 PolarHBondContact O-N 3.25Å; G703-T932 PolarHBondContact O-OG1 2.9Å; Q704-T932 WeakPolarHBondContact CA-OG1 3.35Å; Q704-T932 PolarHBondContact N-OG1 2.56Å; L705-T932 PolarHBondContact N-O 3.29Å; T930-T932 PolarHBondContact O-N 3.16Å
933	G	66.1	Low	67.7	Low	50 Å²	50	75.3 Å²	75.3	52%	0.515	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-82.4	151.7	173.5	0	0	0	0	0	111.4	R935 G936	G933-R935 PolarHBondContact O-N 3.19Å; G933-G936 PolarHBondContact O-N 3.4Å
934	A	54.7	Low	64.8	Low	86 Å²	86	84 Å²	84	71%	0.711	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	2.5	-175.2	0	0	0	0	0	116.7
935	R	47	Very low	63.1	Low	224 Å²	224	87.9 Å²	87.9	85%	0.845	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-11.9	170.4	-59	-172.7	-169.5	-177.8	4.2	113.8	G933	G933-R935 PolarHBondContact O-N 3.19Å
936	G	43.8	Very low	61.4	Low	40 Å²	40	92.3 Å²	92.3	41%	0.412	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-44.9	-175.7	0	0	0	0	0	113.1	G933 R938 L939	G933-G936 PolarHBondContact O-N 3.4Å; G936-R938 PolarHBondContact O-N 2.82Å; G936-L939 PolarHBondContact O-N 3.2Å
937	A	41.3	Very low	59.3	Low	67 Å²	67	97.4 Å²	97.4	55%	0.554	53%	0.527	S	S	*	.	H	α-helix	trans	-57.5	-36.3	178.5	0	0	0	0	0	112.7	L939 E940 E941	A937-L939 PolarHBondContact O-N 3.05Å; A937-E940 PolarHBondContact O-N 3.14Å; A937-E940 VanDerWaalsContact O-N 3.11Å; A937-E941 PolarHBondContact O-N 2.91Å
938	R	36.9	Very low	57	Low	192 Å²	192	103.2 Å²	103.2	73%	0.725	56%	0.558	S	S	*	*	H	α-helix	trans	-73.3	4.6	-174.1	-138.6	-177.9	-162.6	-172.8	5.3	115.4	G936 I942	G936-R938 PolarHBondContact O-N 2.82Å; R938-I942 WeakPolarHBondContact O-CD1 3.39Å
939	L	36.7	Very low	54.6	Low	129 Å²	129	106.4 Å²	106.4	68%	0.675	58%	0.578	S	S	*	*	H	α-helix	trans	-106.3	-21.7	171.8	-74.1	167.4	0	0	0	112.5	G936 A937	G936-L939 PolarHBondContact O-N 3.2Å; A937-L939 PolarHBondContact O-N 3.05Å
940	E	40.9	Very low	51.9	Low	110 Å²	110	113.3 Å²	113.3	51%	0.514	62%	0.615	S	S	.	*	H	α-helix	trans	-89.6	-25.5	179.5	-69.6	179.3	-169.5	0	0	112.1	R702 A937 I942 S943 K944	R702-E940 IonicContact NH1-OE1 3.42Å; R702-E940 PolarHBondContact NH1-OE1 3.22Å; A937-E940 PolarHBondContact O-N 3.14Å; A937-E940 VanDerWaalsContact O-N 3.11Å; E940-I942 PolarHBondContact O-N 3.12Å; E940-S943 CarbonylContact O-C 3.13Å; E940-S943 PolarHBondContact O-N 3.41Å; E940-S943 VanDerWaalsContact O-N 3.08Å; E940-K944 PolarHBondContact O-N 3.33Å
941	E	39.4	Very low	49.1	Very low	158 Å²	158	117 Å²	117	74%	0.738	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-9.6	165.6	-68.7	-178.1	139.5	0	0	113.7	A937	A937-E941 PolarHBondContact O-N 2.91Å
942	I	40.3	Very low	46.2	Very low	139 Å²	139	122.3 Å²	122.3	71%	0.713	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	3.5	176.7	-52.5	177.8	0	0	0	110.1	R938 E940	R938-I942 WeakPolarHBondContact O-CD1 3.39Å; E940-I942 PolarHBondContact O-N 3.12Å
943	S	34.8	Very low	43.1	Very low	97 Å²	97	128.8 Å²	128.8	68%	0.678	68%	0.682	S	S	*	*			trans	-135.8	25.5	-173	-172.4	0	0	0	0	113.3	E940	E940-S943 CarbonylContact O-C 3.13Å; E940-S943 PolarHBondContact O-N 3.41Å; E940-S943 VanDerWaalsContact O-N 3.08Å
944	K	35.2	Very low	41	Very low	253 Å²	253	135.9 Å²	135.9	100%	1.1	70%	0.697	S	S	*	*			trans	-128.7	0	169.6	-80.5	-172.2	173.6	-178.2	0	109.8	E940	E940-K944 PolarHBondContact O-N 3.33Å

Retrieved 944 of 944 residues in 272 ms (Link to these results)

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