A0A5K4F969_SCHMA Loading...

IRS-type PTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F969, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,096 aa.

						>A0A5K4F969_SCHMA|A0A5K4F969
MHNKTSVVIYKGTIYKYKTHRPQYIEIITQLNDKNSYFIIYQPKSKWKYKLNSDIHWFIRKLLLLSNQFHENQQNNNHGIEAIATTTTATTNKPSNITNTATTDTTNTTNTDTTTTTDTTTDTISNTTDTTNTTNTNNYTTNTNTTTTDATYNTTSLNTPSNITNTNNTTTDTTNNHTTLLNQFNYYFNEIDDIKQKTNTIIIQSLNDLFHVTILYRNNKFNNNLSFKLTKPKLKWLHNIYSSKSSLSSPSSFHSVNNYTSSLTKSYKTRSCKLIHYNSQAIDSNVSMSNQSNTSQQMCTNNQATNTTTNTTTTNTTNNNGSGNDNSNHSINDTSNILLGLFLESGKHFIFEFNTIHERNLCLTSLNKIITMNKQINAYPDIEFAWSVHVHFKPKDYTSTGLIPNNNGSHYLCLTCTEILLIQGNLRIPKLIILYRFVRQCVSRRDGQFRIYTGRASPIGECEIIFQLADHTEAVYVHEQFTRLMHQSSVNTPSSLSSSSSSSNSGWNRFGYSQNNLPPLPRPISLSQNNTLLSNMNSQPIKRLTRSKSMSNIDDNNNNTTTTTTTTTTTTTTTNTTTTTTTNNNNNNNNNNNGSMDNKGNASQYNKNNIIKYKKNLYLSQNHSLYQSFPLLLNNRKNDLQLEYPNQQYCFHDIKSIQNDHNKIKEMNNNPTSHYLEMNLCNNGIKEEDKNSVILRNQPLLLHNRIKAYSTCSPLDLILTSSYPLNELLSLKLLPNIKQSPISNQNIISNRDNTDIFVQLYFDKANVYSSSSSYPMDKQDSCIEPLSSLHYPCQASSSFTNSCCQSTSTRSHNSLFQNSNNNGYNSSNGMNTTYNSMNSSLSPMMITPSSSSSLFFNCGSSSSSNSSISYINSRPRTSSDVSNMRRSYYCHSNVNYLHHHLQHQQQQQPSTMTQNPFLHQFQHQSKRRQEHTTRPLSTIDYQTTQNIFSSLKLGGDLTSINELLPVNHSNIIDPITRPRAATTGSNLLLLNKQRLSTVLNHLKMNWFKKQSNIKKISQYNLTTTNKHNISSINDNTKKQNPDSFGSIRKTHLNQDNNDDEYVETFPMNINTFSNNLEHLTIQTNTFPNLSNHYMIL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34	Very low	33.5	Very low	240 Å²	240	140.3 Å²	140.3	100%	1.182	70%	0.701	S	S	*	*				0	137.9	0	-69.5	-176	176.6	0	0	109.7
2	H	32.1	Very low	33.5	Very low	185 Å²	185	133.8 Å²	133.8	86%	0.856	70%	0.696	S	S	*	*			trans	-137.1	97.2	178.1	-81.5	-7	0	0	0	111.7
3	N	35.7	Very low	33	Very low	139 Å²	139	128.8 Å²	128.8	74%	0.743	68%	0.675	S	S	*	*			trans	-114.1	83.6	173.8	-106	-40.4	0	0	0	109.8	T5	N3-T5 VanDerWaalsContact C-N 3.29Å; N3-T5 PolarHBondContact O-N 3.46Å
4	K	34.4	Very low	33.5	Very low	200 Å²	200	128.1 Å²	128.1	87%	0.87	67%	0.671	S	S	*	*			trans	-78.9	76.8	172.6	-73.5	-176.7	176.4	176.3	0	110.1	S6	K4-S6 PolarHBondContact O-N 3.08Å
5	T	30.5	Very low	33.4	Very low	59 Å²	59	125.7 Å²	125.7	36%	0.362	65%	0.65	S	S	.	*			trans	-73.2	115.6	168.7	51.7	0	0	0	0	110.1	N3	N3-T5 VanDerWaalsContact C-N 3.29Å; N3-T5 PolarHBondContact O-N 3.46Å
6	S	36	Very low	33.2	Very low	92 Å²	92	127.7 Å²	127.7	64%	0.643	65%	0.652	S	S	*	*			trans	-80.2	142.3	168.6	-57.3	0	0	0	0	110.4	K4	K4-S6 PolarHBondContact O-N 3.08Å
7	V	29.2	Very low	33.2	Very low	89 Å²	89	129.4 Å²	129.4	54%	0.539	65%	0.65	S	S	.	*			trans	-103.3	134.4	174.5	175.6	0	0	0	0	108.8	I14	V7-I14 HydrophobicContact CG1-CG2 3.62Å
8	V	33.3	Very low	33	Very low	80 Å²	80	131.2 Å²	131.2	49%	0.485	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.7	129.6	173	-178.7	0	0	0	0	108.7	Y15	V8-Y15 PolarHBondContact N-O 3.27Å; V8-Y15 PolarHBondContact O-N 3.21Å
9	I	32.1	Very low	32.9	Very low	121 Å²	121	130.4 Å²	130.4	62%	0.621	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.1	122.2	174.7	-57	174.1	0	0	0	107.8	T13 I14	I9-T13 WeakPolarHBondContact CA-O 3.28Å; I9-I14 HydrophobicContact CG1-CG1 4.44Å
10	Y	34	Very low	33	Very low	154 Å²	154	132.8 Å²	132.8	60%	0.604	66%	0.664	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-134.8	126.2	176.2	179.2	-107	0	0	0	109.5	G12 T13 Y15	Y10-G12 PolarHBondContact O-N 2.97Å; Y10-T13 PolarHBondContact N-O 3.34Å; Y10-T13 WeakPolarHBondContact O-CB 3.5Å; Y10-T13 PolarHBondContact O-N 3.32Å; Y10-Y15 HydrophobicContact CD1-CE2 4.47Å
11	K	37.4	Very low	33.2	Very low	184 Å²	184	136.2 Å²	136.2	80%	0.8	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.5	36.1	-170.8	-65.3	-169.3	170.4	-165.6	0	114.1	T13	K11-T13 PolarHBondContact O-N 3.5Å
12	G	32.7	Very low	33.1	Very low	63 Å²	63	129.3 Å²	129.3	65%	0.649	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	78.2	-12.5	-176.1	0	0	0	0	0	115.1	Y10	Y10-G12 PolarHBondContact O-N 2.97Å
13	T	26.9	Very low	33.3	Very low	69 Å²	69	128.9 Å²	128.9	42%	0.423	64%	0.641	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.8	133.7	176.6	-44.2	0	0	0	0	111	I9 Y10 K11 Y15	I9-T13 WeakPolarHBondContact CA-O 3.28Å; Y10-T13 PolarHBondContact N-O 3.34Å; Y10-T13 WeakPolarHBondContact O-CB 3.5Å; Y10-T13 PolarHBondContact O-N 3.32Å; K11-T13 PolarHBondContact O-N 3.5Å; T13-Y15 HydrophobicContact CG2-CD2 4.41Å; T13-Y15 HydrophobicContact CG2-CE1 4.25Å; T13-Y15 HydrophobicContact CG2-CE2 3.81Å
14	I	40.4	Very low	33.3	Very low	119 Å²	119	128.5 Å²	128.5	61%	0.61	63%	0.63	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.5	112.2	179.9	-60.2	-179.5	0	0	0	109.2	V7 I9	V7-I14 HydrophobicContact CG1-CG2 3.62Å; I9-I14 HydrophobicContact CG1-CG1 4.44Å
15	Y	31.7	Very low	33.3	Very low	92 Å²	92	120.3 Å²	120.3	36%	0.361	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.6	129.7	176.2	-64.2	-84.4	0	0	0	111.6	V8 Y10 T13 Y17	V8-Y15 PolarHBondContact N-O 3.27Å; V8-Y15 PolarHBondContact O-N 3.21Å; Y10-Y15 HydrophobicContact CD1-CE2 4.47Å; T13-Y15 HydrophobicContact CG2-CD2 4.41Å; T13-Y15 HydrophobicContact CG2-CE1 4.25Å; T13-Y15 HydrophobicContact CG2-CE2 3.81Å; Y15-Y17 VanDerWaalsContact CB-CE2 3.47Å; Y15-Y17 HydrophobicContact CG-CE2 4.18Å
16	K	31.4	Very low	33.6	Very low	157 Å²	157	120.3 Å²	120.3	68%	0.683	59%	0.592	S	S	*	*			trans	-115.4	80.9	-177.6	-172.1	177.6	-176	173.7	0	110.6
17	Y	32.4	Very low	33.6	Very low	157 Å²	157	117.3 Å²	117.3	62%	0.616	57%	0.568	S	S	*	*			trans	-76.5	128.6	-179	-67.8	-77.6	0	0	0	112.4	Y15	Y15-Y17 VanDerWaalsContact CB-CE2 3.47Å; Y15-Y17 HydrophobicContact CG-CE2 4.18Å
18	K	29	Very low	34.2	Very low	161 Å²	161	115.7 Å²	115.7	70%	0.7	56%	0.556	S	S	*	*			trans	-94.2	139.6	154	-79.2	-178	174.9	177.6	0	107.9
19	T	31.4	Very low	34.4	Very low	117 Å²	117	113.7 Å²	113.7	72%	0.718	54%	0.544	S	S	*	.	S	Bend	trans	67.3	157.3	176.3	78.8	0	0	0	0	117.4
20	H	34.5	Very low	35	Very low	178 Å²	178	111.3 Å²	111.3	82%	0.824	53%	0.53	S	S	*	.			trans	51.6	111.9	179	-65.7	-84.5	0	0	0	119.3
21	R	37.1	Very low	35.4	Very low	204 Å²	204	107.3 Å²	107.3	77%	0.77	52%	0.518	S	S	*	.			trans	-69.6	129.9	164.6	-67.1	-175.3	-177.3	177.9	2.4	110
22	P	33.8	Very low	36.1	Very low	95 Å²	95	102.2 Å²	102.2	62%	0.617	50%	0.5	S	S	*	.			trans	-69.4	156	168.5	19.6	-19.5	0	0	0	111.9	Y24	P22-Y24 HydrophobicContact CB-CD1 4.18Å; P22-Y24 HydrophobicContact CG-CD1 3.91Å; P22-Y24 HydrophobicContact CG-CE1 3.81Å; P22-Y24 VanDerWaalsContact O-CD1 3.32Å; P22-Y24 WeakPolarHBondContact O-CD1 3.43Å; P22-Y24 PolarHBondContact O-N 3.22Å; P22-Y24 VanDerWaalsContact O-N 3.14Å
23	Q	36.1	Very low	36.6	Very low	177 Å²	177	107.2 Å²	107.2	83%	0.827	51%	0.512	S	S	*	.			trans	-87.1	69.4	-174.3	-62.8	177.5	-0.1	0	0	111.9
24	Y	35.2	Very low	37.5	Very low	130 Å²	130	113 Å²	113	51%	0.51	53%	0.531	S	S	.	.			trans	-108.5	140.6	174.1	61.1	-81	0	0	0	111.5	P22 E26	P22-Y24 HydrophobicContact CB-CD1 4.18Å; P22-Y24 HydrophobicContact CG-CD1 3.91Å; P22-Y24 HydrophobicContact CG-CE1 3.81Å; P22-Y24 VanDerWaalsContact O-CD1 3.32Å; P22-Y24 WeakPolarHBondContact O-CD1 3.43Å; P22-Y24 PolarHBondContact O-N 3.22Å; P22-Y24 VanDerWaalsContact O-N 3.14Å; Y24-E26 HydrophobicContact CD2-CB 3.85Å; Y24-E26 HydrophobicContact CE2-CB 3.83Å; Y24-E26 HydrophobicContact CE2-CG 4.35Å
25	I	34.8	Very low	37.7	Very low	29 Å²	29	109.3 Å²	109.3	15%	0.149	51%	0.513	C	S	.	.			trans	-87.9	109.1	161.2	-75.6	172.9	0	0	0	106.6	I27 I40 S205 N207 I376	I25-I27 HydrophobicContact CG2-CG1 4.04Å; I25-I40 HydrophobicContact CB-CG2 4.47Å; I25-I40 HydrophobicContact CD1-CG2 4.12Å; I25-I40 HydrophobicContact CG1-CG2 3.98Å; I25-I40 HydrophobicContact CG2-CG2 3.82Å; I25-S205 PolarHBondContact O-OG 3.5Å; I25-N207 VanDerWaalsContact CB-OD1 3.26Å; I25-N207 WeakPolarHBondContact CB-OD1 3.46Å; I25-N207 WeakPolarHBondContact CD1-OD1 3.23Å; I25-I376 HydrophobicContact CD1-CD1 4.06Å
26	E	35.5	Very low	38.3	Very low	59 Å²	59	105.1 Å²	105.1	28%	0.276	50%	0.497	S	S	.	.			trans	-85.9	116.6	169.4	-166.1	-176.9	-173.7	0	0	108.8	Y24 I28 Y41	Y24-E26 HydrophobicContact CD2-CB 3.85Å; Y24-E26 HydrophobicContact CE2-CB 3.83Å; Y24-E26 HydrophobicContact CE2-CG 4.35Å; E26-I28 HydrophobicContact CG-CD1 4.32Å; E26-I28 HydrophobicContact CG-CG1 3.72Å; E26-I28 PolarHBondContact O-N 3.48Å; E26-Y41 HydrophobicContact CB-CD2 4.14Å
27	I	36.5	Very low	39	Very low	28 Å²	28	99.7 Å²	99.7	14%	0.144	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	89	173.4	-61.9	175.1	0	0	0	107.7	I25 T29 F38 L206	I25-I27 HydrophobicContact CG2-CG1 4.04Å; I27-T29 PolarHBondContact O-N 3.48Å; I27-F38 HydrophobicContact CB-CE2 4.43Å; I27-F38 HydrophobicContact CD1-CE2 4.07Å; I27-F38 HydrophobicContact CD1-CZ 3.86Å; I27-F38 HydrophobicContact CG1-CE2 4.24Å; I27-F38 HydrophobicContact CG1-CZ 4Å; I27-F38 HydrophobicContact CG2-CD2 3.74Å; I27-F38 HydrophobicContact CG2-CE2 3.35Å; I27-F38 HydrophobicContact CG2-CZ 3.95Å; I27-L206 HydrophobicContact CD1-CB 4.07Å; I27-L206 HydrophobicContact CD1-CD1 3.79Å; I27-L206 HydrophobicContact CD1-CG 4.02Å
28	I	42	Very low	39.5	Very low	56 Å²	56	94.1 Å²	94.1	29%	0.287	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	111.7	172.6	-53	-172.3	0	0	0	108.8	E26 Q30 Y37 I39 Y41	E26-I28 HydrophobicContact CG-CD1 4.32Å; E26-I28 HydrophobicContact CG-CG1 3.72Å; E26-I28 PolarHBondContact O-N 3.48Å; I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 HydrophobicContact CG2-CB 4.42Å; I28-Q30 PolarHBondContact O-N 2.89Å; I28-Q30 VanDerWaalsContact O-N 3.15Å; I28-Y37 VanDerWaalsContact O-O 3.07Å; I28-I39 HydrophobicContact CB-CB 4.39Å; I28-I39 PolarHBondContact N-O 3.42Å; I28-I39 PolarHBondContact O-N 3.46Å; I28-Y41 HydrophobicContact CD1-CE2 3.63Å; I28-Y41 HydrophobicContact CG1-CE2 4.02Å
29	T	37.5	Very low	40.1	Very low	37 Å²	37	86.6 Å²	86.6	23%	0.227	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	80.6	166.1	54.3	0	0	0	0	109.6	I27 L31 Y37 I59	I27-T29 PolarHBondContact O-N 3.48Å; T29-L31 PolarHBondContact O-N 3.41Å; T29-L31 VanDerWaalsContact O-N 3.16Å; T29-Y37 WeakPolarHBondContact CA-O 3.44Å; T29-I59 HydrophobicContact CG2-CG2 3.86Å
30	Q	44.9	Very low	40.5	Very low	71 Å²	71	81.8 Å²	81.8	33%	0.332	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	107.9	176.2	-176.1	177.4	18.4	0	0	109	I28 N32 S36 Y37 I39	I28-Q30 VanDerWaalsContact C-N 3.34Å; I28-Q30 HydrophobicContact CG2-CB 4.42Å; I28-Q30 PolarHBondContact O-N 2.89Å; I28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-N32 WeakPolarHBondContact CG-OD1 3.48Å; Q30-N32 PolarHBondContact NE2-OD1 3.29Å; Q30-N32 VanDerWaalsContact NE2-OD1 3.13Å; Q30-S36 WeakPolarHBondContact O-CA 3.33Å; Q30-Y37 HydrophobicContact CB-CD2 4.42Å; Q30-Y37 PolarHBondContact N-O 3.41Å; Q30-Y37 PolarHBondContact O-N 3.14Å; Q30-I39 HydrophobicContact CB-CD1 4.19Å
31	L	43.3	Very low	40.9	Very low	70 Å²	70	76.4 Å²	76.4	37%	0.366	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120.7	162.1	-77.2	82.5	0	0	0	108.6	T29 I59 L63	T29-L31 PolarHBondContact O-N 3.41Å; T29-L31 VanDerWaalsContact O-N 3.16Å; L31-I59 HydrophobicContact CD1-CG2 4.2Å; L31-L63 HydrophobicContact CD1-CD1 4.17Å
32	N	50.2	Low	41.1	Very low	77 Å²	77	70.3 Å²	70.3	41%	0.412	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	155.4	149	-73.1	54.3	0	0	0	106.6	Q30 K34 N35	Q30-N32 WeakPolarHBondContact CG-OD1 3.48Å; Q30-N32 PolarHBondContact NE2-OD1 3.29Å; Q30-N32 VanDerWaalsContact NE2-OD1 3.13Å; N32-K34 PolarHBondContact O-N 3.01Å; N32-N35 PolarHBondContact N-O 3.36Å; N32-N35 CarbonylContact O-C 3.5Å; N32-N35 PolarHBondContact O-N 3.04Å
33	D	44.3	Very low	41.3	Very low	169 Å²	169	70.5 Å²	70.5	90%	0.904	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-15.9	-167.1	-32.8	-40.7	0	0	0	116.3
34	K	44.9	Very low	41.8	Very low	189 Å²	189	72.1 Å²	72.1	82%	0.822	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	-11.1	-179.7	-60	-178.1	-178.5	179.1	0	114.4	N32	N32-K34 PolarHBondContact O-N 3.01Å
35	N	45	Very low	42	Very low	43 Å²	43	67.9 Å²	67.9	23%	0.23	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	133	-172.5	-52.3	-80	0	0	0	111.9	N32 Y37 K50	N32-N35 PolarHBondContact N-O 3.36Å; N32-N35 CarbonylContact O-C 3.5Å; N32-N35 PolarHBondContact O-N 3.04Å; N35-Y37 HydrophobicContact CB-CE1 4.45Å; N35-Y37 HydrophobicContact CB-CE2 3.8Å; N35-K50 WeakPolarHBondContact OD1-CE 3.44Å; N35-K50 PolarHBondContact OD1-NZ 3.16Å
36	S	45.6	Very low	42.7	Very low	3 Å²	3	72.2 Å²	72.2	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	141.6	161.9	-55	0	0	0	0	111.1	Q30 L51 H56 I59	Q30-S36 WeakPolarHBondContact O-CA 3.33Å; S36-L51 PolarHBondContact O-N 3.03Å; S36-H56 PolarHBondContact OG-CD2 3.28Å; S36-I59 WeakPolarHBondContact OG-CD1 3.5Å
37	Y	44.7	Very low	42.9	Very low	44 Å²	44	76.8 Å²	76.8	17%	0.173	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	138.4	173.5	-58.2	-80.9	0	0	0	111.3	I28 T29 Q30 N35 K48 Y49 K50	I28-Y37 VanDerWaalsContact O-O 3.07Å; T29-Y37 WeakPolarHBondContact CA-O 3.44Å; Q30-Y37 HydrophobicContact CB-CD2 4.42Å; Q30-Y37 PolarHBondContact N-O 3.41Å; Q30-Y37 PolarHBondContact O-N 3.14Å; N35-Y37 HydrophobicContact CB-CE1 4.45Å; N35-Y37 HydrophobicContact CB-CE2 3.8Å; Y37-K48 HydrophobicContact CD1-CD 4.16Å; Y37-K48 HydrophobicContact CD1-CG 3.89Å; Y37-K48 VanDerWaalsContact CE1-CE 3.41Å; Y37-K48 HydrophobicContact CG-CD 4.38Å; Y37-K48 HydrophobicContact CG-CG 4.27Å; Y37-Y49 WeakPolarHBondContact CA-O 3.45Å; Y37-K50 HydrophobicContact CD1-CB 4.16Å; Y37-K50 HydrophobicContact CD1-CG 4.31Å; Y37-K50 HydrophobicContact CE1-CB 4.06Å; Y37-K50 HydrophobicContact CE1-CG 3.93Å
38	F	43.4	Very low	43.5	Very low	40 Å²	40	80.4 Å²	80.4	18%	0.175	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.2	163.6	-171.4	-92.6	0	0	0	107.1	I27 I40 Y49 L51 I369	I27-F38 HydrophobicContact CB-CE2 4.43Å; I27-F38 HydrophobicContact CD1-CE2 4.07Å; I27-F38 HydrophobicContact CD1-CZ 3.86Å; I27-F38 HydrophobicContact CG1-CE2 4.24Å; I27-F38 HydrophobicContact CG1-CZ 4Å; I27-F38 HydrophobicContact CG2-CD2 3.74Å; I27-F38 HydrophobicContact CG2-CE2 3.35Å; I27-F38 HydrophobicContact CG2-CZ 3.95Å; F38-I40 HydrophobicContact CD1-CD1 4.31Å; F38-I40 HydrophobicContact CD1-CG1 3.87Å; F38-I40 HydrophobicContact CE1-CD1 3.83Å; F38-I40 HydrophobicContact CE1-CG1 3.55Å; F38-Y49 PolarHBondContact N-O 3.44Å; F38-Y49 PolarHBondContact O-N 2.87Å; F38-L51 HydrophobicContact CB-CD1 4.07Å; F38-L51 HydrophobicContact CB-CD2 4.43Å; F38-L51 HydrophobicContact CB-CG 4.22Å; F38-I369 HydrophobicContact CE2-CD1 4.18Å; F38-I369 HydrophobicContact CZ-CD1 3.84Å; F38-I369 HydrophobicContact CZ-CG1 4.19Å
39	I	41.7	Very low	43.6	Very low	3 Å²	3	83.9 Å²	83.9	2%	0.015	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.9	178.8	-51.2	-180	0	0	0	108.4	I28 Q30 Y41 K46 W47 K48	I28-I39 HydrophobicContact CB-CB 4.39Å; I28-I39 PolarHBondContact N-O 3.42Å; I28-I39 PolarHBondContact O-N 3.46Å; Q30-I39 HydrophobicContact CB-CD1 4.19Å; I39-Y41 HydrophobicContact CB-CE2 4.24Å; I39-Y41 HydrophobicContact CG2-CD2 3.99Å; I39-Y41 HydrophobicContact CG2-CE1 4.37Å; I39-Y41 HydrophobicContact CG2-CE2 3.43Å; I39-Y41 VanDerWaalsContact CG2-CE2 3.43Å; I39-K46 HydrophobicContact CG2-CG 4.03Å; I39-W47 CarbonylContact C-O 3.57Å; I39-W47 WeakPolarHBondContact CA-O 3.15Å; I39-K48 HydrophobicContact CG1-CG 4.26Å
40	I	39.3	Very low	44.3	Very low	16 Å²	16	87.5 Å²	87.5	8%	0.082	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.8	170.6	-49.1	173.5	0	0	0	107.2	I25 F38 Q42 W47 M372	I25-I40 HydrophobicContact CB-CG2 4.47Å; I25-I40 HydrophobicContact CD1-CG2 4.12Å; I25-I40 HydrophobicContact CG1-CG2 3.98Å; I25-I40 HydrophobicContact CG2-CG2 3.82Å; F38-I40 HydrophobicContact CD1-CD1 4.31Å; F38-I40 HydrophobicContact CD1-CG1 3.87Å; F38-I40 HydrophobicContact CE1-CD1 3.83Å; F38-I40 HydrophobicContact CE1-CG1 3.55Å; I40-Q42 HydrophobicContact CG2-CG 4.5Å; I40-W47 HydrophobicContact CB-CB 4.2Å; I40-W47 PolarHBondContact N-O 2.86Å; I40-W47 PolarHBondContact O-N 2.88Å; I40-M372 HydrophobicContact CD1-CE 4.19Å; I40-M372 HydrophobicContact CD1-SD 3.71Å
41	Y	42.4	Very low	44.3	Very low	65 Å²	65	85.2 Å²	85.2	26%	0.255	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.9	169.4	-66.4	-88.5	0	0	0	110.7	E26 I28 I39 K46	E26-Y41 HydrophobicContact CB-CD2 4.14Å; I28-Y41 HydrophobicContact CD1-CE2 3.63Å; I28-Y41 HydrophobicContact CG1-CE2 4.02Å; I39-Y41 HydrophobicContact CB-CE2 4.24Å; I39-Y41 HydrophobicContact CG2-CD2 3.99Å; I39-Y41 HydrophobicContact CG2-CE1 4.37Å; I39-Y41 HydrophobicContact CG2-CE2 3.43Å; I39-Y41 VanDerWaalsContact CG2-CE2 3.43Å; Y41-K46 HydrophobicContact CD1-CB 4.4Å; Y41-K46 HydrophobicContact CD1-CD 4.43Å; Y41-K46 HydrophobicContact CD1-CG 4.15Å; Y41-K46 HydrophobicContact CE1-CB 4.46Å; Y41-K46 HydrophobicContact CE1-CD 3.68Å; Y41-K46 HydrophobicContact CE1-CG 3.84Å; Y41-K46 WeakPolarHBondContact OH-CE 3.41Å; Y41-K46 PolarHBondContact OH-NZ 3.47Å; Y41-K46 VanDerWaalsContact OH-NZ 3.16Å
42	Q	42.5	Very low	44.8	Very low	75 Å²	75	86.6 Å²	86.6	35%	0.35	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	164.8	173.3	-71.3	-178	-20.2	0	0	109.9	I40 K44 S45	I40-Q42 HydrophobicContact CG2-CG 4.5Å; Q42-K44 PolarHBondContact O-N 2.86Å; Q42-S45 WeakPolarHBondContact CB-OG 2.81Å; Q42-S45 PolarHBondContact N-O 3.08Å; Q42-S45 PolarHBondContact O-N 3.32Å; Q42-S45 VanDerWaalsContact O-O 3.11Å; Q42-S45 PolarHBondContact OE1-OG 2.95Å
43	P	37	Very low	44.7	Very low	99 Å²	99	87.4 Å²	87.4	64%	0.643	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	113.9	165.6	-22.1	34.2	0	0	0	110.2	S45	P43-S45 PolarHBondContact O-N 3.47Å
44	K	47.4	Very low	44.9	Very low	211 Å²	211	83.9 Å²	83.9	92%	0.917	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	12.5	-177	-46.3	-179.1	-178.5	-177.8	0	117.3	Q42	Q42-K44 PolarHBondContact O-N 2.86Å
45	S	38.9	Very low	45.2	Very low	41 Å²	41	76.1 Å²	76.1	29%	0.287	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.7	172.5	95	0	0	0	0	113.9	Q42 P43 W47	Q42-S45 WeakPolarHBondContact CB-OG 2.81Å; Q42-S45 PolarHBondContact N-O 3.08Å; Q42-S45 PolarHBondContact O-N 3.32Å; Q42-S45 VanDerWaalsContact O-O 3.11Å; Q42-S45 PolarHBondContact OE1-OG 2.95Å; P43-S45 PolarHBondContact O-N 3.47Å; S45-W47 PolarHBondContact OG-NE1 2.9Å
46	K	49.3	Very low	45.3	Very low	120 Å²	120	76.4 Å²	76.4	52%	0.522	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	108	177	178.5	179.6	-177.9	164.2	0	108.9	I39 Y41	I39-K46 HydrophobicContact CG2-CG 4.03Å; Y41-K46 HydrophobicContact CD1-CB 4.4Å; Y41-K46 HydrophobicContact CD1-CD 4.43Å; Y41-K46 HydrophobicContact CD1-CG 4.15Å; Y41-K46 HydrophobicContact CE1-CB 4.46Å; Y41-K46 HydrophobicContact CE1-CD 3.68Å; Y41-K46 HydrophobicContact CE1-CG 3.84Å; Y41-K46 WeakPolarHBondContact OH-CE 3.41Å; Y41-K46 PolarHBondContact OH-NZ 3.47Å; Y41-K46 VanDerWaalsContact OH-NZ 3.16Å
47	W	40	Very low	45.9	Very low	155 Å²	155	80 Å²	80	59%	0.587	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.6	173.9	-65.8	67.5	0	0	0	108.9	I39 I40 S45	I39-W47 CarbonylContact C-O 3.57Å; I39-W47 WeakPolarHBondContact CA-O 3.15Å; I40-W47 HydrophobicContact CB-CB 4.2Å; I40-W47 PolarHBondContact N-O 2.86Å; I40-W47 PolarHBondContact O-N 2.88Å; S45-W47 PolarHBondContact OG-NE1 2.9Å
48	K	48.9	Very low	46.2	Very low	105 Å²	105	79.5 Å²	79.5	46%	0.457	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	96.7	179	179.4	168.1	178.6	169.6	0	109.4	Y37 I39	Y37-K48 HydrophobicContact CD1-CD 4.16Å; Y37-K48 HydrophobicContact CD1-CG 3.89Å; Y37-K48 VanDerWaalsContact CE1-CE 3.41Å; Y37-K48 HydrophobicContact CG-CD 4.38Å; Y37-K48 HydrophobicContact CG-CG 4.27Å; I39-K48 HydrophobicContact CG1-CG 4.26Å
49	Y	44.1	Very low	46.6	Very low	129 Å²	129	77.9 Å²	77.9	51%	0.506	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	125	175.1	-170.6	-110.8	0	0	0	109.8	Y37 F38 L51 K368	Y37-Y49 WeakPolarHBondContact CA-O 3.45Å; F38-Y49 PolarHBondContact N-O 3.44Å; F38-Y49 PolarHBondContact O-N 2.87Å; Y49-L51 HydrophobicContact CD1-CD2 3.69Å; Y49-L51 HydrophobicContact CD1-CG 4.46Å; Y49-L51 HydrophobicContact CE1-CD2 3.85Å; Y49-K368 PolarHBondContact OH-NZ 3.44Å
50	K	51.7	Low	47.1	Very low	113 Å²	113	84.5 Å²	84.5	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.2	172.6	-172.3	-170.4	-177	-176.1	0	108.4	N35 Y37	N35-K50 WeakPolarHBondContact OD1-CE 3.44Å; N35-K50 PolarHBondContact OD1-NZ 3.16Å; Y37-K50 HydrophobicContact CD1-CB 4.16Å; Y37-K50 HydrophobicContact CD1-CG 4.31Å; Y37-K50 HydrophobicContact CE1-CB 4.06Å; Y37-K50 HydrophobicContact CE1-CG 3.93Å
51	L	46.2	Very low	47.8	Very low	22 Å²	22	86.1 Å²	86.1	12%	0.115	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.7	173.3	-63.7	173.1	0	0	0	109.3	S36 F38 Y49 I55 I59	S36-L51 PolarHBondContact O-N 3.03Å; F38-L51 HydrophobicContact CB-CD1 4.07Å; F38-L51 HydrophobicContact CB-CD2 4.43Å; F38-L51 HydrophobicContact CB-CG 4.22Å; Y49-L51 HydrophobicContact CD1-CD2 3.69Å; Y49-L51 HydrophobicContact CD1-CG 4.46Å; Y49-L51 HydrophobicContact CE1-CD2 3.85Å; L51-I55 HydrophobicContact CB-CB 4.35Å; L51-I55 HydrophobicContact CB-CD1 4.41Å; L51-I55 HydrophobicContact CD1-CG2 4.24Å; L51-I55 HydrophobicContact CD2-CD1 3.89Å; L51-I55 HydrophobicContact CD2-CG2 4.35Å; L51-I59 HydrophobicContact CD1-CD1 3.43Å; L51-I59 VanDerWaalsContact CD1-CD1 3.43Å; L51-I59 HydrophobicContact CD1-CG1 4.12Å
52	N	53.1	Low	48.1	Very low	100 Å²	100	86.3 Å²	86.3	54%	0.535	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-65.7	159.2	173.8	-72	6.5	0	0	0	110.6	D54 I55	N52-D54 PolarHBondContact O-N 3.32Å; N52-I55 PolarHBondContact O-N 3Å; N52-I55 VanDerWaalsContact O-N 3.1Å
53	S	48.5	Very low	48.6	Very low	93 Å²	93	85.1 Å²	85.1	65%	0.65	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-40.6	-41.9	172.4	34.7	0	0	0	0	113.1	I55 H56	S53-I55 PolarHBondContact O-N 3.03Å; S53-I55 VanDerWaalsContact O-N 3.11Å; S53-H56 WeakPolarHBondContact O-CB 3.41Å; S53-H56 PolarHBondContact O-N 3.11Å
54	D	47.7	Very low	49.3	Very low	96 Å²	96	85.9 Å²	85.9	51%	0.513	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-74.7	-5.9	-167.5	-25.6	-45.2	0	0	0	112.5	N52 W57	N52-D54 PolarHBondContact O-N 3.32Å; D54-W57 PolarHBondContact O-NE1 3.24Å
55	I	51.2	Low	49.4	Very low	26 Å²	26	77.1 Å²	77.1	13%	0.133	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-104.7	-11.6	176.4	-51.8	174	0	0	0	110.8	L51 N52 S53 W57 F58 I59	L51-I55 HydrophobicContact CB-CB 4.35Å; L51-I55 HydrophobicContact CB-CD1 4.41Å; L51-I55 HydrophobicContact CD1-CG2 4.24Å; L51-I55 HydrophobicContact CD2-CD1 3.89Å; L51-I55 HydrophobicContact CD2-CG2 4.35Å; N52-I55 PolarHBondContact O-N 3Å; N52-I55 VanDerWaalsContact O-N 3.1Å; S53-I55 PolarHBondContact O-N 3.03Å; S53-I55 VanDerWaalsContact O-N 3.11Å; I55-W57 VanDerWaalsContact C-N 3.28Å; I55-W57 PolarHBondContact O-N 3.16Å; I55-F58 HydrophobicContact CG2-CB 4.32Å; I55-F58 HydrophobicContact CG2-CD1 4.27Å; I55-F58 WeakPolarHBondContact O-CB 3.4Å; I55-F58 PolarHBondContact O-N 3.34Å; I55-I59 HydrophobicContact CG2-CG1 4.45Å; I55-I59 PolarHBondContact O-N 2.89Å
56	H	48.5	Very low	49.7	Very low	48 Å²	48	76.2 Å²	76.2	22%	0.222	36%	0.356	C	S	.	.	H	α-helix	trans	-60.3	-33.7	-175.8	-164.9	-80.9	0	0	0	113.3	S36 S53 R60	S36-H56 PolarHBondContact OG-CD2 3.28Å; S53-H56 WeakPolarHBondContact O-CB 3.41Å; S53-H56 PolarHBondContact O-N 3.11Å; H56-R60 PolarHBondContact CE1-NE 2.81Å; H56-R60 PolarHBondContact O-N 2.76Å; H56-R60 VanDerWaalsContact O-N 3.15Å
57	W	58.4	Low	49.4	Very low	78 Å²	78	74.6 Å²	74.6	30%	0.295	35%	0.353	S	S	.	.	H	α-helix	trans	-69.5	-34.1	174.2	69.9	-92.6	0	0	0	112.5	D54 I55 R60 K61 E358 L361	D54-W57 PolarHBondContact O-NE1 3.24Å; I55-W57 VanDerWaalsContact C-N 3.28Å; I55-W57 PolarHBondContact O-N 3.16Å; W57-R60 PolarHBondContact O-N 3.33Å; W57-K61 HydrophobicContact CE3-CD 3.8Å; W57-K61 HydrophobicContact CE3-CG 4.23Å; W57-K61 HydrophobicContact CZ3-CD 3.76Å; W57-K61 PolarHBondContact O-N 3.04Å; W57-E358 HydrophobicContact CH2-CB 3.72Å; W57-E358 HydrophobicContact CH2-CG 3.53Å; W57-E358 WeakPolarHBondContact CH2-OE2 3.49Å; W57-E358 HydrophobicContact CZ2-CB 4.23Å; W57-E358 HydrophobicContact CZ2-CG 3.85Å; W57-E358 HydrophobicContact CZ3-CG 4.19Å; W57-E358 VanDerWaalsContact CZ3-OE2 3.22Å; W57-E358 WeakPolarHBondContact CZ3-OE2 3.33Å; W57-L361 HydrophobicContact CZ2-CD2 4.15Å
58	F	49.9	Very low	49.6	Very low	34 Å²	34	72.8 Å²	72.8	15%	0.149	35%	0.351	C	S	.	.	H	α-helix	trans	-68.6	-41.6	-179.7	176.1	-107.1	0	0	0	110.3	I55 K61 L62 C362	I55-F58 HydrophobicContact CG2-CB 4.32Å; I55-F58 HydrophobicContact CG2-CD1 4.27Å; I55-F58 WeakPolarHBondContact O-CB 3.4Å; I55-F58 PolarHBondContact O-N 3.34Å; F58-K61 PolarHBondContact O-N 2.82Å; F58-L62 HydrophobicContact CD1-CD1 4.2Å; F58-L62 HydrophobicContact CE1-CD1 3.56Å; F58-L62 HydrophobicContact CE2-CD1 4.48Å; F58-L62 HydrophobicContact CZ-CD1 3.71Å; F58-L62 PolarHBondContact O-N 3.25Å; F58-C362 HydrophobicContact CE2-CB 3.87Å; F58-C362 WeakPolarHBondContact CE2-SG 3.24Å; F58-C362 HydrophobicContact CZ-CB 4.23Å; F58-C362 WeakPolarHBondContact CZ-SG 3.44Å
59	I	52.3	Low	49.2	Very low	7 Å²	7	71.5 Å²	71.5	4%	0.036	35%	0.346	C	S	.	.	H	α-helix	trans	-60.6	-47.3	172.1	-58.1	167.2	0	0	0	110.9	T29 L31 S36 L51 I55 K61 L62 L63	T29-I59 HydrophobicContact CG2-CG2 3.86Å; L31-I59 HydrophobicContact CD1-CG2 4.2Å; S36-I59 WeakPolarHBondContact OG-CD1 3.5Å; L51-I59 HydrophobicContact CD1-CD1 3.43Å; L51-I59 VanDerWaalsContact CD1-CD1 3.43Å; L51-I59 HydrophobicContact CD1-CG1 4.12Å; I55-I59 HydrophobicContact CG2-CG1 4.45Å; I55-I59 PolarHBondContact O-N 2.89Å; I59-K61 PolarHBondContact O-N 2.87Å; I59-L62 WeakPolarHBondContact O-CB 3.36Å; I59-L62 PolarHBondContact O-N 3.07Å; I59-L62 VanDerWaalsContact O-N 3.15Å; I59-L63 HydrophobicContact CG2-CD1 3.99Å; I59-L63 PolarHBondContact O-N 3.02Å
60	R	52.2	Low	49.2	Very low	141 Å²	141	70.9 Å²	70.9	53%	0.532	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-40.5	176	-77.9	-174.4	170.9	179.1	-1.9	112.2	H56 W57 L63 L64	H56-R60 PolarHBondContact CE1-NE 2.81Å; H56-R60 PolarHBondContact O-N 2.76Å; H56-R60 VanDerWaalsContact O-N 3.15Å; W57-R60 PolarHBondContact O-N 3.33Å; R60-L63 PolarHBondContact O-N 2.85Å; R60-L64 WeakPolarHBondContact O-CD1 3.43Å; R60-L64 VanDerWaalsContact O-CG 3.28Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 2.96Å
61	K	52.8	Low	48.6	Very low	51 Å²	51	71.2 Å²	71.2	22%	0.222	35%	0.351	C	S	.	.	H	α-helix	trans	-63.9	-40.2	172.6	-73.3	-167.9	-166.4	174.6	0	112	W57 F58 I59 L64 L65 C272 E358	W57-K61 HydrophobicContact CE3-CD 3.8Å; W57-K61 HydrophobicContact CE3-CG 4.23Å; W57-K61 HydrophobicContact CZ3-CD 3.76Å; W57-K61 PolarHBondContact O-N 3.04Å; F58-K61 PolarHBondContact O-N 2.82Å; I59-K61 PolarHBondContact O-N 2.87Å; K61-L64 PolarHBondContact O-N 3.42Å; K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 VanDerWaalsContact O-CG 3.27Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 3.02Å; K61-C272 HydrophobicContact CD-CB 4.18Å; K61-E358 IonicContact NZ-OE1 3.7Å; K61-E358 IonicContact NZ-OE2 3.59Å; K61-E358 PolarHBondContact NZ-OE2 2.63Å
62	L	50	Low	48.4	Very low	69 Å²	69	74.9 Å²	74.9	36%	0.361	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-44.6	176.3	-109.4	161.7	0	0	0	112.3	F58 I59 L65 S66	F58-L62 HydrophobicContact CD1-CD1 4.2Å; F58-L62 HydrophobicContact CE1-CD1 3.56Å; F58-L62 HydrophobicContact CE2-CD1 4.48Å; F58-L62 HydrophobicContact CZ-CD1 3.71Å; F58-L62 PolarHBondContact O-N 3.25Å; I59-L62 WeakPolarHBondContact O-CB 3.36Å; I59-L62 PolarHBondContact O-N 3.07Å; I59-L62 VanDerWaalsContact O-N 3.15Å; L62-L65 PolarHBondContact O-N 3.17Å; L62-S66 PolarHBondContact O-N 3.38Å; L62-S66 PolarHBondContact O-OG 3.33Å
63	L	52.6	Low	47.8	Very low	50 Å²	50	75.3 Å²	75.3	26%	0.262	37%	0.369	S	S	.	.	H	α-helix	trans	-61.4	-42.9	175.2	-76	162.5	0	0	0	112.3	L31 I59 R60 S66 N67 I201	L31-L63 HydrophobicContact CD1-CD1 4.17Å; I59-L63 HydrophobicContact CG2-CD1 3.99Å; I59-L63 PolarHBondContact O-N 3.02Å; R60-L63 PolarHBondContact O-N 2.85Å; L63-S66 WeakPolarHBondContact CA-OG 3.4Å; L63-S66 PolarHBondContact O-N 3.45Å; L63-S66 PolarHBondContact O-OG 2.86Å; L63-N67 PolarHBondContact O-N 3.34Å; L63-N67 PolarHBondContact O-OD1 3.07Å; L63-I201 HydrophobicContact CD2-CD1 3.93Å
64	L	51.6	Low	47.4	Very low	114 Å²	114	76.3 Å²	76.3	60%	0.597	36%	0.364	S	S	*	.	H	α-helix	trans	-63.4	-41.4	175.1	-71.7	165.8	0	0	0	112	R60 K61 N67 Q68	R60-L64 WeakPolarHBondContact O-CD1 3.43Å; R60-L64 VanDerWaalsContact O-CG 3.28Å; R60-L64 WeakPolarHBondContact O-CG 3.43Å; R60-L64 PolarHBondContact O-N 2.96Å; K61-L64 PolarHBondContact O-N 3.42Å; L64-N67 PolarHBondContact O-N 3.43Å; L64-Q68 PolarHBondContact O-N 3.31Å
65	L	48.9	Very low	47.1	Very low	27 Å²	27	77.4 Å²	77.4	14%	0.141	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-37.4	176.6	-73.4	165.7	0	0	0	112.4	K61 L62 N67 Q68 F69 L274 F351	K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 VanDerWaalsContact O-CG 3.27Å; K61-L65 WeakPolarHBondContact O-CG 3.49Å; K61-L65 PolarHBondContact O-N 3.02Å; L62-L65 PolarHBondContact O-N 3.17Å; L65-N67 VanDerWaalsContact C-N 3.34Å; L65-N67 PolarHBondContact O-N 3.49Å; L65-Q68 PolarHBondContact O-N 2.83Å; L65-F69 PolarHBondContact O-N 3.42Å; L65-F69 VanDerWaalsContact O-N 3.12Å; L65-L274 HydrophobicContact CD2-CB 4.35Å; L65-F351 HydrophobicContact CD1-CE1 4.48Å
66	S	46.6	Very low	46.7	Very low	22 Å²	22	81 Å²	81	15%	0.154	39%	0.389	C	S	.	.	H	α-helix	trans	-67.6	-32.7	176.6	50.3	0	0	0	0	113.3	L62 L63 F69 H70	L62-S66 PolarHBondContact O-N 3.38Å; L62-S66 PolarHBondContact O-OG 3.33Å; L63-S66 WeakPolarHBondContact CA-OG 3.4Å; L63-S66 PolarHBondContact O-N 3.45Å; L63-S66 PolarHBondContact O-OG 2.86Å; S66-F69 WeakPolarHBondContact O-CB 3.31Å; S66-F69 PolarHBondContact O-N 2.99Å; S66-H70 PolarHBondContact O-N 3.04Å
67	N	42.5	Very low	46.3	Very low	86 Å²	86	83.4 Å²	83.4	46%	0.46	40%	0.403	S	S	.	.	H	α-helix	trans	-67	-44.8	175.8	-68.6	1.2	0	0	0	110.9	L63 L64 L65 F69 H70 E71	L63-N67 PolarHBondContact O-N 3.34Å; L63-N67 PolarHBondContact O-OD1 3.07Å; L64-N67 PolarHBondContact O-N 3.43Å; L65-N67 VanDerWaalsContact C-N 3.34Å; L65-N67 PolarHBondContact O-N 3.49Å; N67-F69 PolarHBondContact O-N 3.05Å; N67-H70 PolarHBondContact O-N 3.42Å; N67-E71 PolarHBondContact O-N 3.18Å
68	Q	44.4	Very low	45.3	Very low	117 Å²	117	87 Å²	87	55%	0.547	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-31.6	174.2	-69.5	-177.2	-16.5	0	0	112.8	L64 L65 H70 N72	L64-Q68 PolarHBondContact O-N 3.31Å; L65-Q68 PolarHBondContact O-N 2.83Å; Q68-H70 VanDerWaalsContact C-N 3.32Å; Q68-N72 PolarHBondContact O-N 2.78Å; Q68-N72 PolarHBondContact O-ND2 3.46Å
69	F	40.1	Very low	44.5	Very low	78 Å²	78	87.6 Å²	87.6	34%	0.342	44%	0.439	S	S	.	.	H	α-helix	trans	-66.2	-31.7	173.2	-106.1	-66.5	0	0	0	113.4	L65 S66 N67 L274 F349	L65-F69 PolarHBondContact O-N 3.42Å; L65-F69 VanDerWaalsContact O-N 3.12Å; S66-F69 WeakPolarHBondContact O-CB 3.31Å; S66-F69 PolarHBondContact O-N 2.99Å; N67-F69 PolarHBondContact O-N 3.05Å; F69-L274 HydrophobicContact CD2-CD2 4.26Å; F69-L274 HydrophobicContact CE2-CD2 3.35Å; F69-L274 HydrophobicContact CZ-CD2 3.67Å; F69-F349 HydrophobicContact CZ-CE1 4.04Å
70	H	43.7	Very low	43.8	Very low	116 Å²	116	93.3 Å²	93.3	54%	0.537	47%	0.468	S	S	.	.	H	α-helix	trans	-78.4	-45.5	-176.2	-157.9	72.3	0	0	0	112.1	S66 N67 Q68 N72 Q73 Q74	S66-H70 PolarHBondContact O-N 3.04Å; N67-H70 PolarHBondContact O-N 3.42Å; Q68-H70 VanDerWaalsContact C-N 3.32Å; H70-N72 VanDerWaalsContact C-N 3.27Å; H70-N72 PolarHBondContact O-N 3.21Å; H70-Q73 PolarHBondContact O-N 2.64Å; H70-Q73 VanDerWaalsContact O-N 3.12Å; H70-Q74 PolarHBondContact CD2-NE2 3.36Å; H70-Q74 PolarHBondContact NE2-NE2 3.25Å; H70-Q74 PolarHBondContact O-N 2.76Å
71	E	40.3	Very low	43	Very low	121 Å²	121	93.8 Å²	93.8	57%	0.565	48%	0.477	S	S	*	.	H	α-helix	trans	-54.9	-42.6	174.2	-75.6	-175.9	105.6	0	0	112.2	N67 Q73 Q74 N75	N67-E71 PolarHBondContact O-N 3.18Å; E71-Q73 VanDerWaalsContact C-N 3.27Å; E71-Q73 PolarHBondContact O-N 3.1Å; E71-Q74 PolarHBondContact O-N 3.49Å; E71-N75 WeakPolarHBondContact O-CB 3.4Å; E71-N75 PolarHBondContact O-N 2.96Å; E71-N75 VanDerWaalsContact O-N 3.09Å; E71-N75 PolarHBondContact O-ND2 3.04Å
72	N	41.1	Very low	42.1	Very low	98 Å²	98	95.1 Å²	95.1	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-71.2	-16.8	-177.9	-78.9	-72.8	0	0	0	113.7	Q68 H70 N76	Q68-N72 PolarHBondContact O-N 2.78Å; Q68-N72 PolarHBondContact O-ND2 3.46Å; H70-N72 VanDerWaalsContact C-N 3.27Å; H70-N72 PolarHBondContact O-N 3.21Å; N72-N76 PolarHBondContact O-ND2 3.15Å
73	Q	40.5	Very low	41.3	Very low	109 Å²	109	98.5 Å²	98.5	51%	0.509	51%	0.514	S	S	.	.	H	α-helix	trans	-87.2	-40.5	171.2	-71	-169.3	39.2	0	0	112.2	H70 E71 N75 N76 N77	H70-Q73 PolarHBondContact O-N 2.64Å; H70-Q73 VanDerWaalsContact O-N 3.12Å; E71-Q73 VanDerWaalsContact C-N 3.27Å; E71-Q73 PolarHBondContact O-N 3.1Å; Q73-N75 PolarHBondContact O-N 2.94Å; Q73-N76 PolarHBondContact O-N 3.19Å; Q73-N77 PolarHBondContact O-N 3.01Å; Q73-N77 VanDerWaalsContact O-N 3.16Å
74	Q	40.7	Very low	40.2	Very low	114 Å²	114	100.3 Å²	100.3	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-61.6	-45.4	177.2	-64.7	-169.9	5.7	0	0	111.5	H70 E71 N76 N77 H78	H70-Q74 PolarHBondContact CD2-NE2 3.36Å; H70-Q74 PolarHBondContact NE2-NE2 3.25Å; H70-Q74 PolarHBondContact O-N 2.76Å; E71-Q74 PolarHBondContact O-N 3.49Å; Q74-N76 VanDerWaalsContact C-N 3.25Å; Q74-N76 PolarHBondContact O-N 2.88Å; Q74-N77 PolarHBondContact O-N 3.13Å; Q74-H78 PolarHBondContact O-N 3.32Å
75	N	40.7	Very low	39.1	Very low	119 Å²	119	100.7 Å²	100.7	64%	0.636	54%	0.543	S	S	*	.	H	α-helix	trans	-63.3	-24.6	178.5	-77.5	-54.4	0	0	0	114.4	E71 Q73	E71-N75 WeakPolarHBondContact O-CB 3.4Å; E71-N75 PolarHBondContact O-N 2.96Å; E71-N75 VanDerWaalsContact O-N 3.09Å; E71-N75 PolarHBondContact O-ND2 3.04Å; Q73-N75 PolarHBondContact O-N 2.94Å
76	N	42.2	Very low	38.2	Very low	103 Å²	103	105.9 Å²	105.9	55%	0.551	58%	0.576	S	S	*	*	H	α-helix	trans	-86.8	-35.3	177.5	-80.7	-49.4	0	0	0	112.6	N72 Q73 Q74 G79	N72-N76 PolarHBondContact O-ND2 3.15Å; Q73-N76 PolarHBondContact O-N 3.19Å; Q74-N76 VanDerWaalsContact C-N 3.25Å; Q74-N76 PolarHBondContact O-N 2.88Å; N76-G79 PolarHBondContact O-N 3.2Å
77	N	41.5	Very low	37.5	Very low	97 Å²	97	111.9 Å²	111.9	52%	0.519	61%	0.612	S	S	.	*	H	α-helix	trans	-72.9	-40.6	-178.8	-70.6	-11.3	0	0	0	112.5	Q73 Q74 G79 I80	Q73-N77 PolarHBondContact O-N 3.01Å; Q73-N77 VanDerWaalsContact O-N 3.16Å; Q74-N77 PolarHBondContact O-N 3.13Å; N77-G79 PolarHBondContact O-N 3.4Å; N77-G79 VanDerWaalsContact O-N 3.1Å; N77-I80 PolarHBondContact O-N 2.96Å; N77-I80 VanDerWaalsContact O-N 3.08Å
78	H	37	Very low	36.9	Very low	154 Å²	154	114.1 Å²	114.1	71%	0.713	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-12	173.5	-89	-3.9	0	0	0	114.1	Q74	Q74-H78 PolarHBondContact O-N 3.32Å
79	G	33.3	Very low	36.5	Very low	46 Å²	46	113.5 Å²	113.5	47%	0.474	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.9	-12.2	173	0	0	0	0	0	115	N76 N77	N76-G79 PolarHBondContact O-N 3.2Å; N77-G79 PolarHBondContact O-N 3.4Å; N77-G79 VanDerWaalsContact O-N 3.1Å
80	I	37.9	Very low	36.1	Very low	128 Å²	128	115.7 Å²	115.7	66%	0.656	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	-33.5	-169.4	-61.6	176.7	0	0	0	112.2	N77 A82	N77-I80 PolarHBondContact O-N 2.96Å; N77-I80 VanDerWaalsContact O-N 3.08Å; I80-A82 PolarHBondContact O-N 3.4Å
81	E	34	Very low	35.9	Very low	151 Å²	151	116.5 Å²	116.5	71%	0.706	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-8	-179.3	-66.5	176.2	142.6	0	0	113.8
82	A	33.5	Very low	35.7	Very low	78 Å²	78	118 Å²	118	65%	0.645	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	8.7	-171.8	0	0	0	0	0	116	I80	I80-A82 PolarHBondContact O-N 3.4Å
83	I	34.3	Very low	35.4	Very low	141 Å²	141	122.8 Å²	122.8	72%	0.723	71%	0.705	S	S	*	*	S	Bend	trans	-119.8	-2.9	-171	-62.2	179.2	0	0	0	112.9
84	A	30	Very low	35.2	Very low	87 Å²	87	122.3 Å²	122.3	72%	0.719	71%	0.711	S	S	*	*	S	Bend	trans	-102.9	15.8	-163.5	0	0	0	0	0	117
85	T	29	Very low	34.8	Very low	123 Å²	123	121.5 Å²	121.5	76%	0.755	72%	0.718	S	S	*	*			trans	-148.7	61.9	-168	34.5	0	0	0	0	116.6
86	T	28.4	Very low	34.5	Very low	136 Å²	136	122.2 Å²	122.2	83%	0.834	72%	0.722	S	S	*	*			trans	-169.3	101.5	151.3	31.1	0	0	0	0	113.1
87	T	31.7	Very low	34.2	Very low	147 Å²	147	123.9 Å²	123.9	90%	0.902	73%	0.729	S	S	*	*			trans	-153.2	76.8	154	-45.6	0	0	0	0	111.1
88	T	30.4	Very low	33.9	Very low	134 Å²	134	124.2 Å²	124.2	82%	0.822	74%	0.735	S	S	*	*			trans	-96.7	117.4	168.1	23.2	0	0	0	0	110
89	A	35.6	Very low	33.8	Very low	103 Å²	103	123.6 Å²	123.6	85%	0.851	74%	0.737	S	S	*	*			trans	-91.6	131.5	175	0	0	0	0	0	110.7
90	T	31.6	Very low	34	Very low	125 Å²	125	127.5 Å²	127.5	77%	0.767	75%	0.752	S	S	*	*			trans	-118.5	124.3	-176.4	50.2	0	0	0	0	112.5
91	T	39.3	Very low	33.9	Very low	132 Å²	132	125.6 Å²	125.6	81%	0.81	76%	0.755	S	S	*	*			trans	-145.2	108.3	162.1	45.4	0	0	0	0	111.7
92	N	37.2	Very low	34.2	Very low	152 Å²	152	124.8 Å²	124.8	81%	0.813	76%	0.761	S	S	*	*				17.7	143.3	126.9	-52.5	-21.7	0	0	0	118.2
93	K	34.6	Very low	34.4	Very low	199 Å²	199	126.7 Å²	126.7	87%	0.865	77%	0.765	S	S	*	*			cis	-159.4	-175.6	-0.8	-122.1	-147.8	165.6	-177.3	0	107.8
94	P	35.8	Very low	34.6	Very low	99 Å²	99	126.4 Å²	126.4	64%	0.643	77%	0.765	S	S	*	*			trans	-117	-177.4	-148.8	45.1	-38.5	0	0	0	117.2
95	S	33	Very low	35	Very low	97 Å²	97	127.5 Å²	127.5	68%	0.678	76%	0.763	S	S	*	*			trans	97.5	141.7	140.3	75.2	0	0	0	0	120.9
96	N	34	Very low	35.6	Very low	135 Å²	135	127.2 Å²	127.2	72%	0.722	76%	0.761	S	S	*	*			trans	86.2	109.1	145.6	-73.1	4.2	0	0	0	122.5
97	I	35.6	Very low	36.1	Very low	137 Å²	137	127 Å²	127	70%	0.703	75%	0.754	S	S	*	*				121	128.4	104.1	-88.1	173.9	0	0	0	120.2
98	T	35.6	Very low	36.5	Very low	105 Å²	105	125.4 Å²	125.4	64%	0.644	75%	0.745	S	S	*	*			trans	65.2	117	158	48.8	0	0	0	0	124.6
99	N	35.7	Very low	37	Very low	140 Å²	140	124.6 Å²	124.6	75%	0.749	74%	0.74	S	S	*	*				66.6	160.4	120.2	-53.4	3.5	0	0	0	120.2
100	T	36.9	Very low	37.1	Very low	128 Å²	128	126.1 Å²	126.1	79%	0.785	73%	0.734	S	S	*	*			cis	-156.5	143.1	17.1	-29.3	0	0	0	0	113.1
101	A	36.7	Very low	37.5	Very low	88 Å²	88	125.9 Å²	125.9	73%	0.727	73%	0.732	S	S	*	*			trans	54.7	159.2	149.9	0	0	0	0	0	120.3
102	T	38.4	Very low	37.4	Very low	135 Å²	135	126 Å²	126	83%	0.828	73%	0.728	S	S	*	*			cis	-121.8	-123.7	22.3	54.4	0	0	0	0	116
103	T	38.9	Very low	37.3	Very low	117 Å²	117	124.1 Å²	124.1	72%	0.718	72%	0.722	S	S	*	*			trans	-159.7	-168.2	-135.3	-24.7	0	0	0	0	113.3
104	D	38.5	Very low	37.4	Very low	135 Å²	135	120.4 Å²	120.4	72%	0.722	72%	0.716	S	S	*	*			trans	83.9	128.3	158.4	-65.8	0.1	0	0	0	119.3
105	T	39.1	Very low	37.3	Very low	111 Å²	111	121.2 Å²	121.2	68%	0.681	72%	0.72	S	S	*	*			cis	-159.9	142.3	-10.1	3.2	0	0	0	0	113.3
106	T	40.3	Very low	37.4	Very low	116 Å²	116	122.1 Å²	122.1	71%	0.712	72%	0.721	S	S	*	*			trans	43.7	141	144.9	54.3	0	0	0	0	122.6
107	N	40.1	Very low	37.4	Very low	131 Å²	131	121.5 Å²	121.5	70%	0.701	72%	0.722	S	S	*	*			cis	-163.3	134.5	44.8	-97.7	-40.8	0	0	0	110.3
108	T	38.5	Very low	37.4	Very low	114 Å²	114	121.5 Å²	121.5	70%	0.699	72%	0.724	S	S	*	*				55.7	142.9	95.3	53.8	0	0	0	0	116.8
109	T	40.9	Very low	37.6	Very low	117 Å²	117	122.3 Å²	122.3	72%	0.718	73%	0.729	S	S	*	*			cis	-148.2	144.9	27.1	51	0	0	0	0	115.7
110	N	37.7	Very low	37.7	Very low	136 Å²	136	121 Å²	121	73%	0.727	73%	0.726	S	S	*	*				38.7	157.9	119.3	-53.3	9.9	0	0	0	121.6
111	T	39.9	Very low	37.9	Very low	120 Å²	120	120.1 Å²	120.1	74%	0.736	72%	0.72	S	S	*	*			cis	-178.9	167.7	-4.3	28.8	0	0	0	0	107.8
112	D	38	Very low	38	Very low	135 Å²	135	122 Å²	122	72%	0.722	72%	0.718	S	S	*	*			cis	-178.2	-179.2	-34.9	-145	-65.1	0	0	0	110.1
113	T	34.9	Very low	38.2	Very low	111 Å²	111	121.3 Å²	121.3	68%	0.681	71%	0.714	S	S	*	*			trans	71.7	153.2	156.5	53.8	0	0	0	0	124.1
114	T	36.6	Very low	38.4	Very low	122 Å²	122	122.4 Å²	122.4	75%	0.748	71%	0.714	S	S	*	*			trans	71.3	145.1	151.4	42.7	0	0	0	0	121.3
115	T	33.3	Very low	38.5	Very low	116 Å²	116	119.9 Å²	119.9	71%	0.712	71%	0.707	S	S	*	*			cis	-169.9	175	-25.3	17	0	0	0	0	110.9
116	T	35.1	Very low	38.6	Very low	115 Å²	115	121.1 Å²	121.1	71%	0.706	71%	0.71	S	S	*	*			trans	74.5	119.6	143.7	35.8	0	0	0	0	123.4
117	T	34.4	Very low	38.5	Very low	122 Å²	122	120.8 Å²	120.8	75%	0.748	71%	0.707	S	S	*	*			trans	47	136	132	60	0	0	0	0	121.5
118	D	36.2	Very low	38.4	Very low	138 Å²	138	119.5 Å²	119.5	74%	0.738	70%	0.704	S	S	*	*			cis	-145.6	-122.3	1.2	-141.7	65.2	0	0	0	113.4
119	T	39.6	Very low	38.3	Very low	121 Å²	121	120.6 Å²	120.6	74%	0.742	71%	0.706	S	S	*	*			cis	-160.4	-170.6	6	-27.5	0	0	0	0	111.2
120	T	37	Very low	38.2	Very low	114 Å²	114	120.4 Å²	120.4	70%	0.699	71%	0.705	S	S	*	*			trans	-86.9	179.5	-172.2	61.2	0	0	0	0	114.5
121	T	41.6	Very low	38.2	Very low	108 Å²	108	119.6 Å²	119.6	66%	0.663	71%	0.705	S	S	*	*			cis	-163.8	150.4	24.9	-18.5	0	0	0	0	112.7
122	D	38.2	Very low	37.8	Very low	128 Å²	128	120.8 Å²	120.8	68%	0.684	71%	0.707	S	S	*	*			trans	42.9	140.7	149.2	-58.3	-12.7	0	0	0	122.2
123	T	43.1	Very low	37.7	Very low	121 Å²	121	120.7 Å²	120.7	74%	0.742	71%	0.711	S	S	*	*				-167.4	114.4	66.8	-60.9	0	0	0	0	112.9
124	I	44.1	Very low	37.6	Very low	140 Å²	140	120.7 Å²	120.7	72%	0.718	71%	0.711	S	S	*	*				43.5	135.7	119.9	-69.6	161.4	0	0	0	118.8
125	S	40.6	Very low	37.5	Very low	81 Å²	81	121.5 Å²	121.5	57%	0.566	71%	0.711	S	S	*	*			cis	-178.7	159	-3.9	-109.4	0	0	0	0	114.1
126	N	40.7	Very low	37.5	Very low	138 Å²	138	121 Å²	121	74%	0.738	71%	0.708	S	S	*	*			trans	65.6	152.4	136.3	-62.6	16	0	0	0	121.8
127	T	38.7	Very low	37.5	Very low	108 Å²	108	121.4 Å²	121.4	66%	0.663	71%	0.706	S	S	*	*			cis	-166.1	159.2	-13.4	25.9	0	0	0	0	112.5
128	T	37.9	Very low	37.4	Very low	104 Å²	104	121.7 Å²	121.7	64%	0.638	70%	0.703	S	S	*	*			trans	63	121.4	141.7	55.1	0	0	0	0	124.1
129	D	36.3	Very low	37.4	Very low	137 Å²	137	125 Å²	125	73%	0.733	71%	0.706	S	S	*	*				71.4	160.1	120.4	-52.3	-8.2	0	0	0	121
130	T	38.3	Very low	37.1	Very low	114 Å²	114	124.7 Å²	124.7	70%	0.699	70%	0.704	S	S	*	*			cis	-152.5	151	5.4	-11.7	0	0	0	0	114.2
131	T	37.2	Very low	37.1	Very low	118 Å²	118	125.1 Å²	125.1	72%	0.724	71%	0.707	S	S	*	*			trans	32.5	126.7	148.5	51.7	0	0	0	0	125
132	N	33	Very low	36.7	Very low	145 Å²	145	127.2 Å²	127.2	78%	0.775	71%	0.714	S	S	*	*			trans	-1.1	137.9	130.3	-52.1	-23.7	0	0	0	119.9
133	T	35.6	Very low	36.6	Very low	134 Å²	134	128.1 Å²	128.1	82%	0.822	73%	0.725	S	S	*	*				-167.1	133.3	114	10.4	0	0	0	0	115.8
134	T	32.7	Very low	36.1	Very low	110 Å²	110	129.4 Å²	129.4	68%	0.675	73%	0.727	S	S	*	*			trans	2.4	162	147.3	56.5	0	0	0	0	124.3
135	N	34.7	Very low	35.7	Very low	140 Å²	140	128.8 Å²	128.8	75%	0.749	73%	0.73	S	S	*	*			trans	84.4	146.4	147	-72.8	-9.2	0	0	0	119.6
136	T	32.5	Very low	35.6	Very low	104 Å²	104	130.1 Å²	130.1	64%	0.638	74%	0.735	S	S	*	*			cis	-167.2	167.1	-35	7	0	0	0	0	110.2
137	N	35.5	Very low	35.3	Very low	125 Å²	125	129.3 Å²	129.3	67%	0.668	74%	0.735	S	S	*	*			trans	68.9	111.3	151.2	-63.6	-15.4	0	0	0	122.1
138	N	32.5	Very low	35.4	Very low	127 Å²	127	129 Å²	129	68%	0.679	73%	0.733	S	S	*	*				62.9	155.4	115.6	-57.9	-9.4	0	0	0	124.1
139	Y	36.7	Very low	35.5	Very low	209 Å²	209	131.4 Å²	131.4	82%	0.82	74%	0.742	S	S	*	*			trans	84.4	122.5	169.5	-57.9	-77.9	0	0	0	115.8
140	T	32.8	Very low	35.7	Very low	114 Å²	114	128.9 Å²	128.9	70%	0.699	74%	0.74	S	S	*	*			cis	120.8	150.8	17	-74.1	0	0	0	0	108.7
141	T	35.9	Very low	35.9	Very low	123 Å²	123	128.4 Å²	128.4	76%	0.755	74%	0.737	S	S	*	*			trans	75.4	126.6	-172	69.5	0	0	0	0	114.1
142	N	32.9	Very low	36.3	Very low	151 Å²	151	132 Å²	132	81%	0.807	74%	0.739	S	S	*	*			cis	69.8	106.9	49.8	-77.7	-3.7	0	0	0	114.7
143	T	36.7	Very low	36.7	Very low	148 Å²	148	131.3 Å²	131.3	91%	0.908	74%	0.735	S	S	*	*				-161.8	161.4	121.1	12.9	0	0	0	0	112.2
144	N	33.4	Very low	37	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	73%	0.732	S	S	*	*			trans	-93.7	-167.9	178.7	-70.2	-41	0	0	0	111.9
145	T	35.6	Very low	37.3	Very low	128 Å²	128	131.6 Å²	131.6	79%	0.785	74%	0.737	S	S	*	*			trans	82.8	143.8	158.7	74.3	0	0	0	0	116.7
146	T	37.6	Very low	37.5	Very low	109 Å²	109	130 Å²	130	67%	0.669	74%	0.736	S	S	*	*			cis	-164.8	154.3	-11	15.6	0	0	0	0	111.2
147	T	35.7	Very low	37.8	Very low	120 Å²	120	131.7 Å²	131.7	74%	0.736	74%	0.741	S	S	*	*			trans	61.1	171.3	150.5	57.1	0	0	0	0	118.1
148	T	40.4	Very low	38	Very low	103 Å²	103	131.9 Å²	131.9	63%	0.632	74%	0.742	S	S	*	*			cis	-153.9	152.2	13.1	-19.4	0	0	0	0	111.8
149	D	40	Very low	38.2	Very low	154 Å²	154	131.6 Å²	131.6	82%	0.824	75%	0.745	S	S	*	*			trans	60.3	160.6	154	-54	-28.2	0	0	0	120.4
150	A	40.7	Very low	38.4	Very low	83 Å²	83	127.5 Å²	127.5	69%	0.686	74%	0.744	S	S	*	*			cis	-147.5	151.4	9.9	0	0	0	0	0	114.1
151	T	41.6	Very low	38.7	Very low	104 Å²	104	127.8 Å²	127.8	64%	0.638	75%	0.75	S	S	*	*			trans	11.5	153.2	147.4	20.3	0	0	0	0	122.7
152	Y	45	Very low	38.8	Very low	195 Å²	195	128.9 Å²	128.9	77%	0.765	75%	0.752	S	S	*	*			cis	-152.3	152.5	35.6	-97.7	-68.4	0	0	0	115.8
153	N	42.7	Very low	39.2	Very low	130 Å²	130	128 Å²	128	70%	0.695	75%	0.745	S	S	*	*			trans	9.6	145.7	148.1	-54.3	-6.1	0	0	0	120.6
154	T	41.3	Very low	39.2	Very low	124 Å²	124	126.7 Å²	126.7	76%	0.761	74%	0.738	S	S	*	*			cis	-152.9	138.4	47.4	31.9	0	0	0	0	116.7
155	T	39.8	Very low	39.1	Very low	126 Å²	126	126.4 Å²	126.4	77%	0.773	74%	0.736	S	S	*	*			trans	4.6	135	135.3	56.6	0	0	0	0	118.2
156	S	38.3	Very low	39.1	Very low	106 Å²	106	127.1 Å²	127.1	74%	0.741	74%	0.74	S	S	*	*				176.4	173.9	51.2	54	0	0	0	0	109.7
157	L	39.7	Very low	38.9	Very low	140 Å²	140	128 Å²	128	73%	0.733	74%	0.741	S	S	*	*			cis	-155.9	152.4	-0.8	-150	77.6	0	0	0	109.4
158	N	39.6	Very low	38.8	Very low	128 Å²	128	129 Å²	129	68%	0.684	74%	0.742	S	S	*	*			trans	38.9	143	143.1	-69.4	7.6	0	0	0	123.3
159	T	36.8	Very low	38.4	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	75%	0.745	S	S	*	*			cis	-163.2	151.5	-8.1	10.1	0	0	0	0	109.9
160	P	39.5	Very low	37.8	Very low	123 Å²	123	128.1 Å²	128.1	80%	0.799	74%	0.742	S	S	*	*			trans	-102.7	163.9	178.6	39.3	-34.2	0	0	0	114.4
161	S	39.1	Very low	37.4	Very low	120 Å²	120	130.6 Å²	130.6	84%	0.839	75%	0.749	S	S	*	*			trans	-164.8	153.6	159.8	56.7	0	0	0	0	112
162	N	37.6	Very low	36.9	Very low	147 Å²	147	132.6 Å²	132.6	79%	0.786	76%	0.756	S	S	*	*			cis	-164.2	177.7	-34.6	-157.7	-4.1	0	0	0	109.4
163	I	41.7	Very low	36.3	Very low	131 Å²	131	130.1 Å²	130.1	67%	0.672	76%	0.761	S	S	*	*			trans	82.4	108	153.4	-65.5	154.3	0	0	0	118.8
164	T	37.3	Very low	35.8	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	76%	0.763	S	S	*	*			trans	52.4	118.9	153	55.1	0	0	0	0	119.5
165	N	31.6	Very low	35.4	Very low	141 Å²	141	129.8 Å²	129.8	75%	0.754	76%	0.759	S	S	*	*			cis	50.1	107.5	47.1	-71.1	-8.1	0	0	0	115.9
166	T	35.7	Very low	35.1	Very low	143 Å²	143	130.2 Å²	130.2	88%	0.877	76%	0.757	S	S	*	*				-157.1	139.6	118.4	-72.3	0	0	0	0	109.7
167	N	33	Very low	34.9	Very low	128 Å²	128	132.9 Å²	132.9	68%	0.684	76%	0.757	S	S	*	*			trans	-78.2	146.8	-168.1	-47.4	-43.5	0	0	0	112.8
168	N	34.3	Very low	34.6	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	74%	0.743	S	S	*	*				-176.5	130.4	100.2	-92.6	-22.7	0	0	0	115.5
169	T	31.5	Very low	34.5	Very low	112 Å²	112	127 Å²	127	69%	0.687	73%	0.732	S	S	*	*			trans	51.3	89.4	145.3	59.1	0	0	0	0	121.2
170	T	28.1	Very low	34.2	Very low	125 Å²	125	126.1 Å²	126.1	77%	0.767	72%	0.722	S	S	*	*				44.9	122.8	117.7	56.5	0	0	0	0	121.5
171	T	32.4	Very low	33.9	Very low	135 Å²	135	125.2 Å²	125.2	83%	0.828	71%	0.71	S	S	*	*				-164.7	155.1	105.2	12.9	0	0	0	0	113.3
172	D	30	Very low	33.6	Very low	147 Å²	147	124.3 Å²	124.3	79%	0.786	70%	0.696	S	S	*	*			trans	-75.2	141	-164.2	-46.8	-71.5	0	0	0	116.2
173	T	32.4	Very low	33.4	Very low	142 Å²	142	123.7 Å²	123.7	87%	0.871	69%	0.688	S	S	*	*			trans	-137	24.5	164.4	48.9	0	0	0	0	114.4
174	T	31.6	Very low	32.8	Very low	121 Å²	121	123.9 Å²	123.9	74%	0.742	69%	0.685	S	S	*	*			trans	-126.8	46.2	-175	50.2	0	0	0	0	114.7
175	N	33.8	Very low	32.6	Very low	127 Å²	127	121.8 Å²	121.8	68%	0.679	67%	0.669	S	S	*	*			trans	-156.8	90.8	168.4	-105.2	-45.9	0	0	0	113	T178	N175-T178 PolarHBondContact OD1-OG1 3.41Å
176	N	34.2	Very low	32.5	Very low	135 Å²	135	123.4 Å²	123.4	72%	0.722	67%	0.666	S	S	*	*	S	Bend	trans	-150.2	1.8	171.3	-104.7	-33.7	0	0	0	115.7	T179	N176-T179 PolarHBondContact O-OG1 3.37Å
177	H	32.7	Very low	32.2	Very low	161 Å²	161	125 Å²	125	75%	0.745	66%	0.657	S	S	*	*	S	Bend	trans	-95.8	-20.7	177	-117.9	-71.5	0	0	0	113.7
178	T	34.8	Very low	32.2	Very low	70 Å²	70	124.3 Å²	124.3	43%	0.429	65%	0.648	S	S	.	*	H	α-helix	trans	-81.9	-27.1	-179.7	38.3	0	0	0	0	113.4	N175 N182	N175-T178 PolarHBondContact OD1-OG1 3.41Å; T178-N182 WeakPolarHBondContact O-CB 3.34Å; T178-N182 PolarHBondContact O-N 3.1Å
179	T	35.9	Very low	32	Very low	74 Å²	74	122.1 Å²	122.1	45%	0.454	64%	0.636	S	S	.	*	H	α-helix	trans	-70.1	-39.7	179.6	43.2	0	0	0	0	113	N176 N182 Q183	N176-T179 PolarHBondContact O-OG1 3.37Å; T179-N182 PolarHBondContact O-N 3.48Å; T179-Q183 WeakPolarHBondContact O-CG 3.22Å; T179-Q183 PolarHBondContact O-N 2.93Å
180	L	31.9	Very low	32.1	Very low	103 Å²	103	123 Å²	123	54%	0.539	63%	0.632	S	S	.	*	H	α-helix	trans	-68.1	-42.1	173.1	-81.9	166.9	0	0	0	111.9	N182 Q183 F184	L180-N182 VanDerWaalsContact C-N 3.33Å; L180-N182 PolarHBondContact O-N 3.13Å; L180-Q183 PolarHBondContact O-N 3.31Å; L180-F184 WeakPolarHBondContact O-CD2 3.37Å; L180-F184 PolarHBondContact O-N 2.79Å
181	L	32.5	Very low	32.5	Very low	104 Å²	104	122 Å²	122	55%	0.545	62%	0.621	S	S	.	*	H	α-helix	trans	-62.6	-38.8	174.3	-91.8	158.1	0	0	0	112	F184 N185	L181-F184 PolarHBondContact O-N 3.3Å; L181-N185 WeakPolarHBondContact O-CB 3.49Å; L181-N185 VanDerWaalsContact O-CG 3.3Å; L181-N185 PolarHBondContact O-N 2.71Å
182	N	32.8	Very low	32.5	Very low	101 Å²	101	119.6 Å²	119.6	54%	0.54	60%	0.603	S	S	.	*	H	α-helix	trans	-74.1	-31	175.8	-75.2	-6.3	0	0	0	113.3	T178 T179 L180 N185 Y186	T178-N182 WeakPolarHBondContact O-CB 3.34Å; T178-N182 PolarHBondContact O-N 3.1Å; T179-N182 PolarHBondContact O-N 3.48Å; L180-N182 VanDerWaalsContact C-N 3.33Å; L180-N182 PolarHBondContact O-N 3.13Å; N182-N185 PolarHBondContact O-N 3.05Å; N182-Y186 WeakPolarHBondContact O-CB 3.34Å; N182-Y186 PolarHBondContact O-N 2.67Å
183	Q	33.1	Very low	32.6	Very low	135 Å²	135	119.5 Å²	119.5	63%	0.631	60%	0.603	S	S	*	*	H	α-helix	trans	-69.3	-35.7	170.3	-80.3	-173.6	-24.2	0	0	112.5	T179 L180 Y187	T179-Q183 WeakPolarHBondContact O-CG 3.22Å; T179-Q183 PolarHBondContact O-N 2.93Å; L180-Q183 PolarHBondContact O-N 3.31Å; Q183-Y187 PolarHBondContact O-N 3.47Å
184	F	29.8	Very low	32.7	Very low	135 Å²	135	116.7 Å²	116.7	59%	0.592	58%	0.582	S	S	*	*	H	α-helix	trans	-64.6	-47.4	168.7	-93.5	-87.6	0	0	0	111.2	L180 L181 Y186 Y187 F188	L180-F184 WeakPolarHBondContact O-CD2 3.37Å; L180-F184 PolarHBondContact O-N 2.79Å; L181-F184 PolarHBondContact O-N 3.3Å; F184-Y186 VanDerWaalsContact C-N 3.33Å; F184-Y186 PolarHBondContact O-N 3.2Å; F184-Y187 PolarHBondContact O-N 3.45Å; F184-Y187 VanDerWaalsContact O-N 3.17Å; F184-F188 HydrophobicContact CD1-CE2 4.39Å; F184-F188 WeakPolarHBondContact O-CD2 3.48Å; F184-F188 PolarHBondContact O-N 2.86Å
185	N	32.2	Very low	32.5	Very low	77 Å²	77	117.3 Å²	117.3	41%	0.412	57%	0.574	S	S	.	*	H	α-helix	trans	-63.1	-35.2	178.4	-73.1	-15.1	0	0	0	112.9	L181 N182 Y187 F188 N189	L181-N185 WeakPolarHBondContact O-CB 3.49Å; L181-N185 VanDerWaalsContact O-CG 3.3Å; L181-N185 PolarHBondContact O-N 2.71Å; N182-N185 PolarHBondContact O-N 3.05Å; N185-Y187 VanDerWaalsContact C-N 3.33Å; N185-Y187 PolarHBondContact O-N 2.94Å; N185-F188 PolarHBondContact O-N 3.19Å; N185-N189 WeakPolarHBondContact O-CB 3.38Å; N185-N189 PolarHBondContact O-N 2.91Å; N185-N189 PolarHBondContact O-OD1 3.44Å
186	Y	30.1	Very low	32.3	Very low	175 Å²	175	120.8 Å²	120.8	69%	0.686	59%	0.586	S	S	*	*	H	α-helix	trans	-61	-43.3	174.3	-137.5	-87.4	0	0	0	111.4	N182 F184 F188 N189 E190	N182-Y186 WeakPolarHBondContact O-CB 3.34Å; N182-Y186 PolarHBondContact O-N 2.67Å; F184-Y186 VanDerWaalsContact C-N 3.33Å; F184-Y186 PolarHBondContact O-N 3.2Å; Y186-F188 VanDerWaalsContact C-N 3.3Å; Y186-F188 PolarHBondContact O-N 2.63Å; Y186-N189 PolarHBondContact O-N 3.49Å; Y186-E190 PolarHBondContact O-N 2.96Å
187	Y	29.9	Very low	32.1	Very low	175 Å²	175	122.1 Å²	122.1	69%	0.686	59%	0.585	S	S	*	*	H	α-helix	trans	-71.8	-18.2	176.4	-114.7	-74.3	0	0	0	114.6	Q183 F184 N185 I191	Q183-Y187 PolarHBondContact O-N 3.47Å; F184-Y187 PolarHBondContact O-N 3.45Å; F184-Y187 VanDerWaalsContact O-N 3.17Å; N185-Y187 VanDerWaalsContact C-N 3.33Å; N185-Y187 PolarHBondContact O-N 2.94Å; Y187-I191 WeakPolarHBondContact O-CD1 3.38Å; Y187-I191 WeakPolarHBondContact O-CG1 3.35Å
188	F	32	Very low	31.9	Very low	115 Å²	115	120.3 Å²	120.3	50%	0.504	59%	0.586	S	S	.	*	H	α-helix	trans	-88.6	-36.6	171.7	-91.7	-89.1	0	0	0	112	F184 N185 Y186 E190 I191 D192	F184-F188 HydrophobicContact CD1-CE2 4.39Å; F184-F188 WeakPolarHBondContact O-CD2 3.48Å; F184-F188 PolarHBondContact O-N 2.86Å; N185-F188 PolarHBondContact O-N 3.19Å; Y186-F188 VanDerWaalsContact C-N 3.3Å; Y186-F188 PolarHBondContact O-N 2.63Å; F188-E190 PolarHBondContact O-N 3.18Å; F188-I191 WeakPolarHBondContact O-CB 3.38Å; F188-I191 PolarHBondContact O-N 3.34Å; F188-D192 PolarHBondContact O-N 3.48Å
189	N	30.9	Very low	31.7	Very low	96 Å²	96	122 Å²	122	51%	0.513	59%	0.592	S	S	.	*	H	α-helix	trans	-65.2	-39.9	-179.3	-71.3	-5.2	0	0	0	112.5	N185 Y186 I191 D192 D193	N185-N189 WeakPolarHBondContact O-CB 3.38Å; N185-N189 PolarHBondContact O-N 2.91Å; N185-N189 PolarHBondContact O-OD1 3.44Å; Y186-N189 PolarHBondContact O-N 3.49Å; N189-I191 PolarHBondContact O-N 3.48Å; N189-D192 PolarHBondContact O-N 3.29Å; N189-D193 PolarHBondContact O-N 3.44Å; N189-D193 VanDerWaalsContact O-N 3.17Å
190	E	33.4	Very low	31.4	Very low	129 Å²	129	123.2 Å²	123.2	60%	0.603	60%	0.6	S	S	*	*	H	α-helix	trans	-62.3	-20.8	172.6	-74.2	-168.2	138.3	0	0	113.5	Y186 F188	Y186-E190 PolarHBondContact O-N 2.96Å; F188-E190 PolarHBondContact O-N 3.18Å
191	I	36.5	Very low	31.4	Very low	105 Å²	105	120.9 Å²	120.9	54%	0.538	59%	0.588	S	S	.	*	H	α-helix	trans	-86.2	-31.6	175	-59.2	175.2	0	0	0	110.5	Y187 F188 N189 D193 I194	Y187-I191 WeakPolarHBondContact O-CD1 3.38Å; Y187-I191 WeakPolarHBondContact O-CG1 3.35Å; F188-I191 WeakPolarHBondContact O-CB 3.38Å; F188-I191 PolarHBondContact O-N 3.34Å; N189-I191 PolarHBondContact O-N 3.48Å; I191-D193 VanDerWaalsContact C-N 3.34Å; I191-I194 WeakPolarHBondContact O-CB 3.46Å; I191-I194 WeakPolarHBondContact O-CG1 3.42Å; I191-I194 PolarHBondContact O-N 3.09Å; I191-I194 VanDerWaalsContact O-N 3.13Å
192	D	32.2	Very low	31.3	Very low	84 Å²	84	123.1 Å²	123.1	45%	0.449	60%	0.599	S	S	.	*	H	α-helix	trans	-72.7	-22	177.3	-105.8	-57.6	0	0	0	113.4	F188 N189 I194 K195	F188-D192 PolarHBondContact O-N 3.48Å; N189-D192 PolarHBondContact O-N 3.29Å; D192-I194 PolarHBondContact O-N 2.9Å; D192-K195 VanDerWaalsContact O-CG 3.23Å; D192-K195 WeakPolarHBondContact O-CG 3.49Å; D192-K195 PolarHBondContact O-N 3.37Å; D192-K195 PolarHBondContact O-NZ 2.91Å; D192-K195 IonicContact OD1-NZ 2.92Å; D192-K195 PolarHBondContact OD1-NZ 2.89Å
193	D	31.6	Very low	31.6	Very low	145 Å²	145	121 Å²	121	78%	0.775	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	-1.5	168	-84.3	-19.4	0	0	0	113.7	N189 I191 K195	N189-D193 PolarHBondContact O-N 3.44Å; N189-D193 VanDerWaalsContact O-N 3.17Å; I191-D193 VanDerWaalsContact C-N 3.34Å; D193-K195 PolarHBondContact O-N 3.06Å
194	I	34.3	Very low	32.4	Very low	83 Å²	83	119.3 Å²	119.3	43%	0.426	58%	0.578	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	16.2	166.1	-41.2	178.8	0	0	0	110.8	I191 D192 Q196 K197	I191-I194 WeakPolarHBondContact O-CB 3.46Å; I191-I194 WeakPolarHBondContact O-CG1 3.42Å; I191-I194 PolarHBondContact O-N 3.09Å; I191-I194 VanDerWaalsContact O-N 3.13Å; D192-I194 PolarHBondContact O-N 2.9Å; I194-Q196 PolarHBondContact O-N 2.96Å; I194-K197 HydrophobicContact CG2-CB 4.26Å
195	K	27.8	Very low	33.7	Very low	135 Å²	135	114.7 Å²	114.7	59%	0.587	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56	133.1	164	-80.7	172.7	-165.5	81.5	0	109.9	D192 D193 K197	D192-K195 VanDerWaalsContact O-CG 3.23Å; D192-K195 WeakPolarHBondContact O-CG 3.49Å; D192-K195 PolarHBondContact O-N 3.37Å; D192-K195 PolarHBondContact O-NZ 2.91Å; D192-K195 IonicContact OD1-NZ 2.92Å; D192-K195 PolarHBondContact OD1-NZ 2.89Å; D193-K195 PolarHBondContact O-N 3.06Å; K195-K197 VanDerWaalsContact C-N 3.35Å; K195-K197 PolarHBondContact O-N 3.48Å
196	Q	30.2	Very low	35.7	Very low	199 Å²	199	112.7 Å²	112.7	93%	0.93	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.1	-7.3	177.8	-47.2	-170.3	19.8	0	0	118.6	I194 T198	I194-Q196 PolarHBondContact O-N 2.96Å; Q196-T198 PolarHBondContact O-N 3.13Å
197	K	28.3	Very low	38.1	Very low	163 Å²	163	105.9 Å²	105.9	71%	0.709	53%	0.528	S	S	*	.			trans	-85.2	99.8	172.7	-131.6	172.5	-168.8	170.9	0	111.2	I194 K195 N199	I194-K197 HydrophobicContact CG2-CB 4.26Å; K195-K197 VanDerWaalsContact C-N 3.35Å; K195-K197 PolarHBondContact O-N 3.48Å; K197-N199 VanDerWaalsContact C-N 3.34Å; K197-N199 PolarHBondContact O-N 3.15Å
198	T	29.5	Very low	40.7	Very low	124 Å²	124	100.4 Å²	100.4	76%	0.761	51%	0.51	S	S	*	.			trans	-66.4	91.1	172.3	49.1	0	0	0	0	110.3	Q196 T200	Q196-T198 PolarHBondContact O-N 3.13Å; T198-T200 VanDerWaalsContact C-N 3.27Å; T198-T200 PolarHBondContact O-N 3.45Å
199	N	30.3	Very low	43.4	Very low	104 Å²	104	95 Å²	95	56%	0.556	49%	0.486	S	S	*	.			trans	-71.4	84.1	173.2	-72.8	-23.2	0	0	0	109.6	K197 I201	K197-N199 VanDerWaalsContact C-N 3.34Å; K197-N199 PolarHBondContact O-N 3.15Å; N199-I201 HydrophobicContact CB-CG1 4.31Å; N199-I201 PolarHBondContact O-N 3.17Å
200	T	30.3	Very low	46.3	Very low	100 Å²	100	90.8 Å²	90.8	61%	0.613	46%	0.464	S	S	*	.			trans	-70.6	70.4	172.6	-48.1	0	0	0	0	109.9	T198 I202	T198-T200 VanDerWaalsContact C-N 3.27Å; T198-T200 PolarHBondContact O-N 3.45Å; T200-I202 PolarHBondContact O-N 3.05Å
201	I	31.1	Very low	49	Very low	55 Å²	55	85.5 Å²	85.5	28%	0.282	44%	0.439	S	S	.	.			trans	-66.2	116	176.8	-67.2	171.5	0	0	0	107.8	L63 N199 I203	L63-I201 HydrophobicContact CD2-CD1 3.93Å; N199-I201 HydrophobicContact CB-CG1 4.31Å; N199-I201 PolarHBondContact O-N 3.17Å; I201-I203 HydrophobicContact CG2-CG1 4.38Å; I201-I203 PolarHBondContact O-N 3.01Å
202	I	30.3	Very low	51.6	Low	151 Å²	151	80.9 Å²	80.9	77%	0.774	42%	0.416	S	S	*	.			trans	-73.3	82.5	173.7	-53	177.2	0	0	0	108.4	T200 Q204	T200-I202 PolarHBondContact O-N 3.05Å; I202-Q204 PolarHBondContact O-N 2.89Å; I202-Q204 VanDerWaalsContact O-N 3.17Å
203	I	39.1	Very low	54.4	Low	56 Å²	56	77.5 Å²	77.5	29%	0.287	40%	0.398	S	S	.	.			trans	-57.1	115.2	154.5	-58.9	174.5	0	0	0	105.2	I201 S205	I201-I203 HydrophobicContact CG2-CG1 4.38Å; I201-I203 PolarHBondContact O-N 3.01Å; I203-S205 PolarHBondContact O-N 3.4Å; I203-S205 VanDerWaalsContact O-N 3.14Å
204	Q	50.3	Low	57.2	Low	99 Å²	99	72 Å²	72	46%	0.463	37%	0.369	S	S	.	.			trans	-54.3	125	174.7	-77.4	-174.5	-14	0	0	108.1	I202 L206	I202-Q204 PolarHBondContact O-N 2.89Å; I202-Q204 VanDerWaalsContact O-N 3.17Å; Q204-L206 PolarHBondContact O-N 3.44Å; Q204-L206 VanDerWaalsContact O-N 3.15Å
205	S	57.6	Low	59.7	Low	39 Å²	39	68.2 Å²	68.2	27%	0.273	35%	0.349	S	S	.	.			trans	-57.2	124.1	-160.4	-166.6	0	0	0	0	110	I25 I203 N207 D208	I25-S205 PolarHBondContact O-OG 3.5Å; I203-S205 PolarHBondContact O-N 3.4Å; I203-S205 VanDerWaalsContact O-N 3.14Å; S205-N207 PolarHBondContact O-N 3.29Å; S205-N207 VanDerWaalsContact OG-CG 3.26Å; S205-N207 PolarHBondContact OG-OD1 3.27Å; S205-D208 PolarHBondContact O-N 2.9Å
206	L	73.8	Confident	62.3	Low	35 Å²	35	64.5 Å²	64.5	18%	0.183	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-68	3.1	-179.6	-66.3	-178.2	0	0	0	112.6	I27 Q204 D208 L209 I369 N373	I27-L206 HydrophobicContact CD1-CB 4.07Å; I27-L206 HydrophobicContact CD1-CD1 3.79Å; I27-L206 HydrophobicContact CD1-CG 4.02Å; Q204-L206 PolarHBondContact O-N 3.44Å; Q204-L206 VanDerWaalsContact O-N 3.15Å; L206-D208 PolarHBondContact O-N 2.84Å; L206-L209 WeakPolarHBondContact O-CB 3.44Å; L206-L209 PolarHBondContact O-N 3Å; L206-I369 HydrophobicContact CB-CG2 4.06Å; L206-I369 HydrophobicContact CD1-CD1 3.84Å; L206-N373 PolarHBondContact O-ND2 3.21Å
207	N	80.8	Confident	64.6	Low	32 Å²	32	56.9 Å²	56.9	17%	0.171	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-52.2	-39.3	170.4	-68.4	6.4	0	0	0	112.7	I25 S205 L209 N373 N377 Y379	I25-N207 VanDerWaalsContact CB-OD1 3.26Å; I25-N207 WeakPolarHBondContact CB-OD1 3.46Å; I25-N207 WeakPolarHBondContact CD1-OD1 3.23Å; S205-N207 PolarHBondContact O-N 3.29Å; S205-N207 VanDerWaalsContact OG-CG 3.26Å; S205-N207 PolarHBondContact OG-OD1 3.27Å; N207-L209 PolarHBondContact O-N 3.23Å; N207-N373 PolarHBondContact O-ND2 3.15Å; N207-N377 PolarHBondContact O-ND2 2.83Å; N207-Y379 PolarHBondContact O-OH 3.12Å
208	D	84.2	Confident	66.3	Low	60 Å²	60	52.9 Å²	52.9	32%	0.321	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-71.7	-14.2	179.8	-62.9	19.1	0	0	0	112.6	S205 L206 F210 L343 E344	S205-D208 PolarHBondContact O-N 2.9Å; L206-D208 PolarHBondContact O-N 2.84Å; D208-F210 PolarHBondContact O-N 3.38Å; D208-F210 VanDerWaalsContact O-N 3.14Å; D208-L343 HydrophobicContact CB-CB 4.06Å; D208-L343 HydrophobicContact CB-CD2 4.19Å; D208-L343 HydrophobicContact CB-CG 4.34Å; D208-L343 CarbonylContact O-C 3.53Å; D208-L343 VanDerWaalsContact O-CA 3.26Å; D208-L343 WeakPolarHBondContact O-CA 3.46Å; D208-E344 HydrophobicContact CB-CB 4.34Å; D208-E344 PolarHBondContact O-N 3.31Å
209	L	89.1	Confident	67.4	Low	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	104.8	-177.6	-177.2	72.3	0	0	0	109.9	L206 N207 L341 L343 L366 I370 N373	L206-L209 WeakPolarHBondContact O-CB 3.44Å; L206-L209 PolarHBondContact O-N 3Å; N207-L209 PolarHBondContact O-N 3.23Å; L209-L341 HydrophobicContact CD1-CB 3.76Å; L209-L341 HydrophobicContact CD1-CD2 3.98Å; L209-L341 HydrophobicContact CD1-CG 3.94Å; L209-L341 HydrophobicContact CD2-CD2 4.49Å; L209-L343 HydrophobicContact CD1-CD1 4.24Å; L209-L366 HydrophobicContact CD2-CD2 3.93Å; L209-I370 HydrophobicContact CD2-CD1 4.05Å; L209-I370 HydrophobicContact CD2-CG1 3.88Å; L209-I370 HydrophobicContact CG-CD1 4.08Å; L209-I370 HydrophobicContact CG-CG1 3.83Å; L209-N373 PolarHBondContact O-ND2 3.41Å
210	F	90.7	Very high	68	Low	8 Å²	8	51.4 Å²	51.4	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-25.3	-177.3	73.3	-89.8	0	0	0	113.5	D208 F342 I370 Y379 I382 A385 Y411 L426	D208-F210 PolarHBondContact O-N 3.38Å; D208-F210 VanDerWaalsContact O-N 3.14Å; F210-F342 HydrophobicContact CD1-CB 4.18Å; F210-F342 WeakPolarHBondContact CD1-O 3.44Å; F210-F342 VanDerWaalsContact CE1-C 3.44Å; F210-F342 HydrophobicContact CE1-CB 3.4Å; F210-F342 WeakPolarHBondContact CE1-O 3.48Å; F210-F342 HydrophobicContact CE2-CB 4.17Å; F210-F342 HydrophobicContact CZ-CB 3.39Å; F210-F342 HydrophobicContact CZ-CG 4.31Å; F210-F342 PolarHBondContact N-O 2.93Å; F210-I370 WeakPolarHBondContact O-CG2 3.48Å; F210-Y379 HydrophobicContact CB-CD2 3.63Å; F210-Y379 HydrophobicContact CB-CE2 3.56Å; F210-Y379 HydrophobicContact CB-CG 4.19Å; F210-I382 HydrophobicContact CD2-CD1 3.79Å; F210-I382 HydrophobicContact CE2-CD1 3.91Å; F210-A385 HydrophobicContact CE2-CB 4.23Å; F210-Y411 AromaticContact CE1-CD2 3.99Å; F210-Y411 HydrophobicContact CE1-CD2 3.99Å; F210-Y411 AromaticContact CE1-CE2 3.64Å; F210-Y411 HydrophobicContact CE1-CE2 3.64Å; F210-Y411 AromaticContact CZ-CD2 3.69Å; F210-Y411 HydrophobicContact CZ-CD2 3.69Å; F210-Y411 AromaticContact CZ-CE2 3.82Å; F210-Y411 HydrophobicContact CZ-CE2 3.82Å; F210-Y411 HydrophobicContact CZ-CG 4.26Å; F210-L426 HydrophobicContact CB-CD1 3.42Å; F210-L426 VanDerWaalsContact CB-CD1 3.42Å; F210-L426 HydrophobicContact CB-CD2 4.47Å; F210-L426 HydrophobicContact CD1-CD1 3.5Å; F210-L426 VanDerWaalsContact CD1-CD1 3.5Å; F210-L426 HydrophobicContact CD1-CD2 3.85Å; F210-L426 HydrophobicContact CD1-CG 4.24Å; F210-L426 HydrophobicContact CD2-CD1 4.15Å; F210-L426 HydrophobicContact CD2-CD2 3.63Å; F210-L426 HydrophobicContact CE1-CD1 4.25Å; F210-L426 HydrophobicContact CE1-CD2 3.85Å; F210-L426 HydrophobicContact CE2-CD2 3.67Å; F210-L426 HydrophobicContact CG-CD1 3.42Å; F210-L426 VanDerWaalsContact CG-CD1 3.42Å; F210-L426 HydrophobicContact CG-CD2 3.72Å; F210-L426 HydrophobicContact CG-CG 4.23Å; F210-L426 HydrophobicContact CZ-CD2 3.77Å
211	H	91.9	Very high	68.3	Low	18 Å²	18	52.5 Å²	52.5	8%	0.083	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.2	-178	-169	79.7	0	0	0	112	F342 E383 A385	H211-F342 HydrophobicContact CB-CD2 4.28Å; H211-F342 AromaticContact CD2-CD2 3.83Å; H211-F342 PolarHBondContact O-N 3.23Å; H211-E383 PolarHBondContact CE1-O 3.35Å; H211-A385 HydrophobicContact CB-CB 4.27Å; H211-A385 PolarHBondContact CD2-N 3.15Å; H211-A385 PolarHBondContact NE2-N 3.16Å; H211-A385 VanDerWaalsContact NE2-N 3.18Å
212	V	90.9	Very high	68.2	Low	9 Å²	9	57.5 Å²	57.5	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.1	171.8	64.6	0	0	0	0	108.5	L339 G340 L341 L363 L366 N367 I370	V212-L339 HydrophobicContact CG2-CD1 3.98Å; V212-L339 HydrophobicContact CG2-CD2 3.99Å; V212-L339 HydrophobicContact CG2-CG 3.77Å; V212-G340 CarbonylContact C-O 3.54Å; V212-G340 VanDerWaalsContact CA-O 3.28Å; V212-G340 WeakPolarHBondContact CA-O 3.27Å; V212-G340 WeakPolarHBondContact CG2-O 3.28Å; V212-L341 HydrophobicContact CG2-CD1 3.95Å; V212-L341 HydrophobicContact CG2-CG 4.12Å; V212-L363 HydrophobicContact CG1-CD1 3.54Å; V212-L363 HydrophobicContact CG2-CD1 4.26Å; V212-L366 HydrophobicContact CG1-CB 4.22Å; V212-L366 HydrophobicContact CG2-CD1 3.91Å; V212-N367 WeakPolarHBondContact CG1-OD1 3.34Å; V212-I370 HydrophobicContact CB-CD1 3.72Å; V212-I370 HydrophobicContact CG1-CD1 3.4Å
213	T	90.8	Very high	68.1	Low	12 Å²	12	56.4 Å²	56.4	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	162	-178.3	-156.9	0	0	0	0	112.3	L215 L339 G340 F342	T213-L215 HydrophobicContact CG2-CD2 3.51Å; T213-L215 HydrophobicContact CG2-CG 3.96Å; T213-L339 WeakPolarHBondContact O-CA 3.23Å; T213-L339 WeakPolarHBondContact O-CD1 3.38Å; T213-G340 PolarHBondContact N-O 3.03Å; T213-G340 PolarHBondContact O-N 3.38Å; T213-F342 HydrophobicContact CG2-CE2 3.6Å; T213-F342 HydrophobicContact CG2-CZ 4Å
214	I	89.9	Confident	67.4	Low	31 Å²	31	61.6 Å²	61.6	16%	0.159	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	124.5	169.5	-60.2	155.2	0	0	0	107	Y216 L339 L363	I214-Y216 HydrophobicContact CB-CE2 3.89Å; I214-Y216 HydrophobicContact CG2-CD2 4.25Å; I214-Y216 HydrophobicContact CG2-CE1 4.38Å; I214-Y216 HydrophobicContact CG2-CE2 3.66Å; I214-Y216 WeakPolarHBondContact O-CD2 3.39Å; I214-L339 HydrophobicContact CG1-CD1 4.34Å; I214-L363 HydrophobicContact CD1-CD2 3.92Å; I214-L363 HydrophobicContact CG1-CD2 4.08Å
215	L	86.9	Confident	66.2	Low	3 Å²	3	62.3 Å²	62.3	2%	0.016	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	107.9	-176.2	-68.2	176.2	0	0	0	111	T213 R217 S335 L338 I350	T213-L215 HydrophobicContact CG2-CD2 3.51Å; T213-L215 HydrophobicContact CG2-CG 3.96Å; L215-R217 PolarHBondContact O-N 3.3Å; L215-S335 VanDerWaalsContact O-O 3.13Å; L215-L338 HydrophobicContact CB-CB 3.96Å; L215-L338 PolarHBondContact N-O 2.88Å; L215-I350 HydrophobicContact CD1-CB 4.48Å; L215-I350 HydrophobicContact CD1-CD1 3.56Å; L215-I350 HydrophobicContact CD1-CG1 3.67Å; L215-I350 HydrophobicContact CD1-CG2 4.12Å
216	Y	81.9	Confident	64.6	Low	57 Å²	57	65 Å²	65	22%	0.224	33%	0.333	C	S	.	.			trans	-84.8	91	-180	-64.3	-93.3	0	0	0	110.7	I214 N336 E473 Y476	I214-Y216 HydrophobicContact CB-CE2 3.89Å; I214-Y216 HydrophobicContact CG2-CD2 4.25Å; I214-Y216 HydrophobicContact CG2-CE1 4.38Å; I214-Y216 HydrophobicContact CG2-CE2 3.66Å; I214-Y216 WeakPolarHBondContact O-CD2 3.39Å; Y216-N336 VanDerWaalsContact CD1-OD1 3.23Å; Y216-N336 WeakPolarHBondContact CD1-OD1 3.41Å; Y216-N336 VanDerWaalsContact CE1-OD1 3.3Å; Y216-N336 WeakPolarHBondContact CE1-OD1 3.26Å; Y216-E473 PolarHBondContact O-N 2.88Å; Y216-Y476 AromaticContact CD2-CD1 3.68Å; Y216-Y476 HydrophobicContact CD2-CD1 3.68Å; Y216-Y476 HydrophobicContact CD2-CD2 4.06Å; Y216-Y476 AromaticContact CD2-CE1 3.48Å; Y216-Y476 HydrophobicContact CD2-CE1 3.48Å; Y216-Y476 VanDerWaalsContact CD2-CE1 3.48Å; Y216-Y476 AromaticContact CD2-CE2 3.88Å; Y216-Y476 HydrophobicContact CD2-CE2 3.88Å; Y216-Y476 AromaticContact CD2-CG 3.96Å; Y216-Y476 HydrophobicContact CD2-CG 3.96Å; Y216-Y476 AromaticContact CD2-CZ 3.59Å; Y216-Y476 HydrophobicContact CE2-CD1 4.34Å; Y216-Y476 HydrophobicContact CE2-CD2 4.41Å; Y216-Y476 AromaticContact CE2-CE1 3.69Å; Y216-Y476 HydrophobicContact CE2-CE1 3.69Å; Y216-Y476 AromaticContact CE2-CE2 3.78Å; Y216-Y476 HydrophobicContact CE2-CE2 3.78Å; Y216-Y476 AromaticContact CE2-CZ 3.38Å; Y216-Y476 HydrophobicContact CG-CD1 4.38Å; Y216-Y476 HydrophobicContact CG-CD2 4.32Å; Y216-Y476 HydrophobicContact CG-CE2 4.47Å; Y216-Y476 HydrophobicContact CG-CG 4.28Å
217	R	79.7	Confident	62.2	Low	39 Å²	39	72.1 Å²	72.1	15%	0.147	36%	0.363	C	S	.	.			trans	-122	144	178.3	-66.3	-176.2	176.1	166.5	6.6	110.9	L215 N219 S335 L338 I350 E473	L215-R217 PolarHBondContact O-N 3.3Å; R217-N219 PolarHBondContact O-N 3.16Å; R217-S335 VanDerWaalsContact O-CA 3.26Å; R217-S335 WeakPolarHBondContact O-CA 3.4Å; R217-L338 HydrophobicContact CB-CD1 4.12Å; R217-L338 HydrophobicContact CG-CD1 4.47Å; R217-I350 VanDerWaalsContact NH1-CD1 3.27Å; R217-E473 IonicContact CZ-OE1 3.51Å; R217-E473 IonicContact CZ-OE2 3.41Å; R217-E473 VanDerWaalsContact CZ-OE2 3.24Å; R217-E473 IonicContact NE-OE1 2.74Å; R217-E473 IonicContact NE-OE2 3.8Å; R217-E473 PolarHBondContact NE-OE2 3.28Å; R217-E473 VanDerWaalsContact NH2-CD 3.34Å; R217-E473 IonicContact NH2-OE1 2.85Å; R217-E473 PolarHBondContact NH2-OE1 2.9Å; R217-E473 IonicContact NH2-OE2 2.75Å; R217-E473 PolarHBondContact NH2-OE2 3.02Å
218	N	63	Low	59.5	Low	79 Å²	79	79.1 Å²	79.1	42%	0.422	39%	0.392	S	S	.	.			trans	-73.6	97.7	177	-161.4	-43.9	0	0	0	109.6	K220 D470 T472	N218-K220 PolarHBondContact O-N 2.9Å; N218-K220 WeakPolarHBondContact OD1-CG 3.28Å; N218-D470 PolarHBondContact N-OD2 3Å; N218-T472 PolarHBondContact N-OG1 3.39Å
219	N	52.8	Low	56.7	Low	26 Å²	26	83.4 Å²	83.4	14%	0.139	41%	0.414	C	S	.	.			trans	-76.6	37.5	-166.7	-143.5	24.4	0	0	0	113.9	R217 F221 E352	R217-N219 PolarHBondContact O-N 3.16Å; N219-F221 PolarHBondContact O-N 2.95Å; N219-F221 VanDerWaalsContact OD1-CD2 3.24Å; N219-F221 WeakPolarHBondContact OD1-CD2 3.49Å; N219-F221 WeakPolarHBondContact OD1-CE2 3.48Å; N219-E352 PolarHBondContact ND2-OE1 3.41Å
220	K	42.8	Very low	53.7	Low	171 Å²	171	89.7 Å²	89.7	74%	0.743	45%	0.453	S	S	*	.			trans	-75.1	58	170	-76.9	-176.6	177.5	-176	0	111.5	N218 N222	N218-K220 PolarHBondContact O-N 2.9Å; N218-K220 WeakPolarHBondContact OD1-CG 3.28Å; K220-N222 PolarHBondContact O-N 3.44Å
221	F	37.3	Very low	50.9	Low	123 Å²	123	98.4 Å²	98.4	54%	0.539	49%	0.491	S	S	.	.			trans	-70.9	65.6	162.4	-80.3	-72.7	0	0	0	110.5	N219 N223	N219-F221 PolarHBondContact O-N 2.95Å; N219-F221 VanDerWaalsContact OD1-CD2 3.24Å; N219-F221 WeakPolarHBondContact OD1-CD2 3.49Å; N219-F221 WeakPolarHBondContact OD1-CE2 3.48Å; F221-N223 PolarHBondContact O-N 3.38Å
222	N	29	Very low	48	Very low	159 Å²	159	103.5 Å²	103.5	85%	0.85	53%	0.525	S	S	*	.			trans	-77.3	24.6	178.7	-128.5	34.6	0	0	0	112.6	K220	K220-N222 PolarHBondContact O-N 3.44Å
223	N	27.9	Very low	44.9	Very low	129 Å²	129	113 Å²	113	69%	0.69	57%	0.566	S	S	*	*	S	Bend	trans	-135.6	128.1	173.8	-89.8	-40.2	0	0	0	108	F221 L225	F221-N223 PolarHBondContact O-N 3.38Å; N223-L225 PolarHBondContact O-N 2.91Å
224	N	24	Very low	42.1	Very low	165 Å²	165	120.2 Å²	120.2	88%	0.882	60%	0.603	S	S	*	*			trans	-67.4	86	166.8	-79.6	-49.2	0	0	0	109	S226	N224-S226 PolarHBondContact O-N 3.45Å
225	L	24.9	Very low	39.1	Very low	114 Å²	114	128.1 Å²	128.1	60%	0.597	64%	0.636	S	S	*	*			trans	-75	63.8	170.6	-143.3	83.3	0	0	0	109.9	N223 F227	N223-L225 PolarHBondContact O-N 2.91Å; L225-F227 HydrophobicContact CD2-CE2 4Å; L225-F227 HydrophobicContact CD2-CZ 4.12Å; L225-F227 PolarHBondContact O-N 3.46Å
226	S	23.4	Very low	36.6	Very low	95 Å²	95	139.2 Å²	139.2	66%	0.664	68%	0.678	S	S	*	*			trans	-64.5	110.9	164.3	58.2	0	0	0	0	107.7	N224 K228	N224-S226 PolarHBondContact O-N 3.45Å; S226-K228 PolarHBondContact O-N 2.94Å
227	F	24.7	Very low	34.1	Very low	184 Å²	184	142 Å²	142	81%	0.807	70%	0.696	S	S	*	*			trans	-66.6	84.5	168.5	-81.8	-88.2	0	0	0	109.1	L225 L229	L225-F227 HydrophobicContact CD2-CE2 4Å; L225-F227 HydrophobicContact CD2-CZ 4.12Å; L225-F227 PolarHBondContact O-N 3.46Å; F227-L229 VanDerWaalsContact C-N 3.35Å; F227-L229 PolarHBondContact O-N 3.48Å
228	K	23.5	Very low	31.6	Very low	179 Å²	179	148.1 Å²	148.1	78%	0.778	73%	0.726	S	S	*	*			trans	-74.7	92.3	173.7	-152.6	177.7	-168.8	-179.3	0	106.7	S226 T230	S226-K228 PolarHBondContact O-N 2.94Å; K228-T230 PolarHBondContact O-N 3.42Å
229	L	26.1	Very low	30	Very low	150 Å²	150	150.6 Å²	150.6	79%	0.785	74%	0.739	S	S	*	*			trans	-59.1	103.5	-178	-151.6	80.7	0	0	0	109.1	F227 K231	F227-L229 VanDerWaalsContact C-N 3.35Å; F227-L229 PolarHBondContact O-N 3.48Å; L229-K231 PolarHBondContact O-N 2.91Å
230	T	25.1	Very low	29	Very low	133 Å²	133	155.3 Å²	155.3	82%	0.816	76%	0.763	S	S	*	*			trans	-73.5	95.8	-177.9	45.2	0	0	0	0	109	K228	K228-T230 PolarHBondContact O-N 3.42Å
231	K	31.9	Very low	28.5	Very low	191 Å²	191	157.8 Å²	157.8	83%	0.83	77%	0.77	S	S	*	*			trans	-50.7	128	177.1	-68	-169.8	175.8	-169.9	0	110.4	L229	L229-K231 PolarHBondContact O-N 2.91Å
232	P	30.8	Very low	28.1	Very low	125 Å²	125	156.6 Å²	156.6	81%	0.812	78%	0.777	S	S	*	*			trans	-62.8	149.6	169.4	27.4	-33.3	0	0	0	110	L234	P232-L234 PolarHBondContact O-N 3.41Å
233	K	27.2	Very low	28.4	Very low	207 Å²	207	154.7 Å²	154.7	90%	0.9	78%	0.776	S	S	*	*			trans	-79.6	112.6	-176.7	-65.8	172.9	-177.7	169.6	0	110.6
234	L	31.5	Very low	28.6	Very low	164 Å²	164	157.8 Å²	157.8	86%	0.859	78%	0.783	S	S	*	*			trans	-121.4	123.2	153.5	-76.6	169.5	0	0	0	108.3	P232	P232-L234 PolarHBondContact O-N 3.41Å
235	K	27.3	Very low	29.1	Very low	198 Å²	198	155.3 Å²	155.3	86%	0.861	78%	0.778	S	S	*	*			trans	-100.8	142.9	170.7	-71.9	-179	173.3	-175.5	0	107.7
236	W	33.3	Very low	29.4	Very low	235 Å²	235	154.7 Å²	154.7	89%	0.89	78%	0.784	S	S	*	*			trans	-153.6	148.3	133.9	-123	60.5	0	0	0	110.1
237	L	30	Very low	29.9	Very low	115 Å²	115	157.5 Å²	157.5	60%	0.602	79%	0.791	S	S	*	*			trans	3.1	124	168.1	-61.9	-177.5	0	0	0	119.2
238	H	28.2	Very low	30.4	Very low	168 Å²	168	154 Å²	154	78%	0.778	79%	0.789	S	S	*	*				67	138.1	88.4	-92	-112.8	0	0	0	113.3
239	N	29.1	Very low	30.8	Very low	131 Å²	131	150.9 Å²	150.9	70%	0.701	79%	0.79	S	S	*	*			cis	-170.1	164.8	0.6	-175.9	22.5	0	0	0	109.5
240	I	31.3	Very low	31.4	Very low	125 Å²	125	149.5 Å²	149.5	64%	0.641	79%	0.79	S	S	*	*			trans	143.8	131.5	130.1	-74	-179	0	0	0	115.6
241	Y	32.6	Very low	31.9	Very low	224 Å²	224	148.5 Å²	148.5	88%	0.878	79%	0.788	S	S	*	*			trans	63.2	147.8	167.1	-70.5	-49.2	0	0	0	123.3
242	S	29.6	Very low	31.8	Very low	98 Å²	98	144 Å²	144	69%	0.685	78%	0.78	S	S	*	*			trans	-165.4	142.4	-173.2	88	0	0	0	0	112.9
243	S	35.3	Very low	32	Very low	119 Å²	119	148 Å²	148	83%	0.832	79%	0.785	S	S	*	*			trans	-169.8	133.3	154.2	43.8	0	0	0	0	108
244	K	31.7	Very low	32.2	Very low	193 Å²	193	146.5 Å²	146.5	84%	0.839	78%	0.781	S	S	*	*			cis	100.6	84.8	19.8	-77.1	-162.6	171.8	-176.5	0	116.5
245	S	34.2	Very low	32.3	Very low	113 Å²	113	144 Å²	144	79%	0.79	78%	0.778	S	S	*	*			trans	171.5	147.3	134.1	50.5	0	0	0	0	109.3
246	S	31.2	Very low	32.5	Very low	101 Å²	101	140.2 Å²	140.2	71%	0.706	77%	0.771	S	S	*	*			cis	109.3	99.2	-2.5	80.2	0	0	0	0	117.4
247	L	33.4	Very low	32.5	Very low	155 Å²	155	136 Å²	136	81%	0.812	77%	0.766	S	S	*	*				175.2	158.7	112.1	-121.8	66.2	0	0	0	116.2
248	S	35.6	Very low	32.5	Very low	111 Å²	111	136.6 Å²	136.6	78%	0.776	77%	0.769	S	S	*	*			trans	76.4	158	148.6	67.7	0	0	0	0	122
249	S	31.1	Very low	32.7	Very low	113 Å²	113	140 Å²	140	79%	0.79	78%	0.777	S	S	*	*			trans	-164.1	-156.5	-166.6	-59.1	0	0	0	0	108.8
250	P	39.2	Very low	32.7	Very low	121 Å²	121	140 Å²	140	79%	0.786	78%	0.782	S	S	*	*				-129.1	170.2	-78.6	39	-23.2	0	0	0	115.6
251	S	35	Very low	32.6	Very low	111 Å²	111	139.2 Å²	139.2	78%	0.776	79%	0.788	S	S	*	*			trans	-171.5	122	159.4	27.9	0	0	0	0	109.4
252	S	31.4	Very low	32.6	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	78%	0.781	S	S	*	*				80.6	119.2	69	75.5	0	0	0	0	115.5
253	F	34.1	Very low	32.6	Very low	210 Å²	210	137 Å²	137	92%	0.921	79%	0.79	S	S	*	*			trans	-174.7	170.9	135.8	-99.4	-60.5	0	0	0	112.5
254	H	30.6	Very low	32.5	Very low	175 Å²	175	137.3 Å²	137.3	81%	0.81	79%	0.788	S	S	*	*			trans	-122.3	141.6	-164.5	-80.9	-76.7	0	0	0	115.4
255	S	35.2	Very low	32.4	Very low	113 Å²	113	136.4 Å²	136.4	79%	0.79	78%	0.784	S	S	*	*			trans	178.2	139.7	136.5	48	0	0	0	0	107.6
256	V	30.2	Very low	32.1	Very low	117 Å²	117	136.3 Å²	136.3	71%	0.709	78%	0.783	S	S	*	*			cis	81.4	86.6	22.6	-169.2	0	0	0	0	114.7
257	N	33	Very low	31.8	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	79%	0.787	S	S	*	*				-161.5	165.7	110.9	-115.9	-44.4	0	0	0	114.5
258	N	30.4	Very low	31.5	Very low	126 Å²	126	143.2 Å²	143.2	67%	0.674	79%	0.79	S	S	*	*			trans	-84.1	151.5	-166.5	-54.3	-74.4	0	0	0	114.8
259	Y	32.4	Very low	31.2	Very low	241 Å²	241	144 Å²	144	95%	0.945	79%	0.79	S	S	*	*			trans	-143.5	154.6	134.8	-92.3	-70.5	0	0	0	110.5
260	T	29.7	Very low	31.2	Very low	129 Å²	129	148.5 Å²	148.5	79%	0.791	79%	0.789	S	S	*	*			trans	-118.1	125.7	-160.9	50.9	0	0	0	0	114.2
261	S	29.8	Very low	31.1	Very low	110 Å²	110	147.5 Å²	147.5	77%	0.769	79%	0.786	S	S	*	*			trans	-165.2	151.5	152.9	54.3	0	0	0	0	113.3
262	S	31.7	Very low	31.1	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	75%	0.754	S	S	*	*			trans	43.5	86.3	162.9	58.5	0	0	0	0	119.1	T264	S262-T264 PolarHBondContact O-N 3.09Å
263	L	29.5	Very low	31.6	Very low	170 Å²	170	143.5 Å²	143.5	89%	0.89	74%	0.744	S	S	*	*			trans	-76.8	101.1	155.2	-100.8	99.8	0	0	0	110.8	K265	L263-K265 PolarHBondContact O-N 3.44Å
264	T	32.9	Very low	31.9	Very low	126 Å²	126	135.7 Å²	135.7	77%	0.773	71%	0.712	S	S	*	*			trans	-67.1	117.4	157.7	41.7	0	0	0	0	108.9	S262 S266	S262-T264 PolarHBondContact O-N 3.09Å; T264-S266 PolarHBondContact O-N 2.83Å
265	K	29.8	Very low	32.9	Very low	175 Å²	175	128.8 Å²	128.8	76%	0.761	68%	0.681	S	S	*	*			trans	-68.3	93.9	178.1	-74.9	-179.3	178.3	174.2	0	110.1	L263 Y267	L263-K265 PolarHBondContact O-N 3.44Å; K265-Y267 WeakPolarHBondContact O-CD2 3.19Å; K265-Y267 PolarHBondContact O-N 3.23Å; K265-Y267 VanDerWaalsContact O-N 3.08Å
266	S	27.3	Very low	33.1	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	66%	0.661	S	S	*	*			trans	-67.8	105.3	171.2	53.4	0	0	0	0	109.7	T264 K268	T264-S266 PolarHBondContact O-N 2.83Å; S266-K268 VanDerWaalsContact C-N 3.33Å; S266-K268 PolarHBondContact O-N 3.48Å
267	Y	26.2	Very low	33.7	Very low	204 Å²	204	126.8 Å²	126.8	80%	0.8	65%	0.647	S	S	*	*			trans	-67.2	93.1	174.5	-76.9	-84.5	0	0	0	109.5	K265 T269	K265-Y267 WeakPolarHBondContact O-CD2 3.19Å; K265-Y267 PolarHBondContact O-N 3.23Å; K265-Y267 VanDerWaalsContact O-N 3.08Å; Y267-T269 PolarHBondContact O-N 3.05Å
268	K	27	Very low	33.7	Very low	198 Å²	198	124.3 Å²	124.3	86%	0.861	63%	0.634	S	S	*	*			trans	-70.4	80.6	174.2	-165.2	167.5	-171.2	168.5	0	109.2	S266 R270	S266-K268 VanDerWaalsContact C-N 3.33Å; S266-K268 PolarHBondContact O-N 3.48Å; K268-R270 PolarHBondContact O-N 2.91Å
269	T	28.2	Very low	33.8	Very low	127 Å²	127	120.8 Å²	120.8	78%	0.779	62%	0.619	S	S	*	*			trans	-60.3	93.8	-173	47.4	0	0	0	0	111.7	Y267	Y267-T269 PolarHBondContact O-N 3.05Å
270	R	32.7	Very low	33.7	Very low	207 Å²	207	116.4 Å²	116.4	78%	0.781	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-63.3	137.3	160.9	-70.4	-176	172.6	-177.8	-2.2	108.4	K268 N354	K268-R270 PolarHBondContact O-N 2.91Å; R270-N354 PolarHBondContact O-ND2 2.95Å; R270-N354 PolarHBondContact O-OD1 3.49Å
271	S	36.3	Very low	33.5	Very low	101 Å²	101	114.2 Å²	114.2	71%	0.706	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-73.3	151.6	-174.5	35	0	0	0	0	111.8	K273	S271-K273 PolarHBondContact O-N 3.07Å
272	C	35.2	Very low	33.5	Very low	18 Å²	18	115.9 Å²	115.9	12%	0.122	60%	0.601	C	S	.	*	P	Polyproline II helix	trans	-61.3	133.5	161	176.9	0	0	0	0	107.9	K61 E352	K61-C272 HydrophobicContact CD-CB 4.18Å; C272-E352 WeakPolarHBondContact CA-O 3.43Å; C272-E352 PolarHBondContact SG-O 2.99Å; C272-E352 VanDerWaalsContact SG-O 3.36Å
273	K	41.4	Very low	33.2	Very low	105 Å²	105	118.3 Å²	118.3	46%	0.457	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.3	126.4	178.5	-170.5	-174.2	-179.9	-171.1	0	109.3	S271 E352	S271-K273 PolarHBondContact O-N 3.07Å; K273-E352 HydrophobicContact CB-CB 4.17Å; K273-E352 WeakPolarHBondContact CD-OE2 3.47Å; K273-E352 PolarHBondContact N-O 2.88Å; K273-E352 PolarHBondContact O-N 3.42Å
274	L	41.2	Very low	33.3	Very low	45 Å²	45	114 Å²	114	24%	0.236	59%	0.59	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.2	130.6	167.8	173.1	61.5	0	0	0	108.8	L65 F69 F349 F351	L65-L274 HydrophobicContact CD2-CB 4.35Å; F69-L274 HydrophobicContact CD2-CD2 4.26Å; F69-L274 HydrophobicContact CE2-CD2 3.35Å; F69-L274 HydrophobicContact CZ-CD2 3.67Å; L274-F349 HydrophobicContact CD1-CB 4.16Å; L274-F349 HydrophobicContact CD1-CD1 4.44Å; L274-F351 HydrophobicContact CD1-CD1 3.98Å; L274-F351 HydrophobicContact CD1-CE1 3.89Å
275	I	51.8	Low	33	Very low	31 Å²	31	116.3 Å²	116.3	16%	0.159	60%	0.598	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	122.5	167.3	-48.6	-179.3	0	0	0	107.5	Y277 I350	I275-Y277 HydrophobicContact CB-CE2 4.3Å; I275-Y277 HydrophobicContact CG2-CD2 4.16Å; I275-Y277 HydrophobicContact CG2-CE2 3.41Å; I275-Y277 VanDerWaalsContact CG2-CE2 3.41Å; I275-I350 HydrophobicContact CB-CB 4.44Å; I275-I350 PolarHBondContact N-O 3.06Å; I275-I350 PolarHBondContact O-N 3.48Å
276	H	39.6	Very low	33.1	Very low	83 Å²	83	113.2 Å²	113.2	38%	0.384	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.2	121.7	-171.8	-174.2	-88.6	0	0	0	110.7	N278 F349	H276-N278 PolarHBondContact CE1-OD1 3.36Å; H276-N278 VanDerWaalsContact CE1-OD1 3.3Å; H276-F349 AromaticContact CD2-CD1 3.8Å; H276-F349 AromaticContact CD2-CE1 3.57Å; H276-F349 AromaticContact NE2-CE1 3.71Å
277	Y	42.3	Very low	32.9	Very low	105 Å²	105	113.1 Å²	113.1	41%	0.412	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.6	111.6	175.8	-69	-81	0	0	0	109.5	I275 I350	I275-Y277 HydrophobicContact CB-CE2 4.3Å; I275-Y277 HydrophobicContact CG2-CD2 4.16Å; I275-Y277 HydrophobicContact CG2-CE2 3.41Å; I275-Y277 VanDerWaalsContact CG2-CE2 3.41Å; Y277-I350 HydrophobicContact CD2-CD1 4.1Å; Y277-I350 HydrophobicContact CE2-CD1 3.97Å
278	N	32.8	Very low	33.1	Very low	95 Å²	95	111.4 Å²	111.4	51%	0.508	59%	0.593	S	S	.	*			trans	-81.7	121.5	169.3	-96.5	-17.9	0	0	0	109.4	H276 Q280	H276-N278 PolarHBondContact CE1-OD1 3.36Å; H276-N278 VanDerWaalsContact CE1-OD1 3.3Å; N278-Q280 PolarHBondContact O-N 3.21Å
279	S	32.9	Very low	33	Very low	53 Å²	53	106.6 Å²	106.6	37%	0.371	59%	0.585	S	S	.	*			trans	-73.4	62.3	168.8	-50.7	0	0	0	0	111.3	G346	S279-G346 PolarHBondContact OG-O 2.92Å; S279-G346 VanDerWaalsContact OG-O 3.06Å
280	Q	28.9	Very low	33.2	Very low	149 Å²	149	107.6 Å²	107.6	70%	0.696	59%	0.586	S	S	*	*			trans	-81	139.1	166.2	-80.8	-177.4	-43.7	0	0	109.8	N278 I282	N278-Q280 PolarHBondContact O-N 3.21Å; Q280-I282 PolarHBondContact O-N 2.96Å
281	A	26.4	Very low	32.9	Very low	82 Å²	82	106.7 Å²	106.7	68%	0.678	59%	0.59	S	S	*	*			trans	-67	122.7	172.5	0	0	0	0	0	109.1	D283	A281-D283 PolarHBondContact O-N 3.28Å
282	I	29	Very low	32.7	Very low	145 Å²	145	107.3 Å²	107.3	74%	0.744	60%	0.595	S	S	*	*			trans	-93.4	87.9	170.5	-55.3	179.8	0	0	0	106.6	Q280 S284	Q280-I282 PolarHBondContact O-N 2.96Å; I282-S284 PolarHBondContact O-N 3.39Å
283	D	25.6	Very low	32.5	Very low	155 Å²	155	113.4 Å²	113.4	83%	0.829	63%	0.626	S	S	*	*			trans	-72.3	68.8	171.7	-73	-38.7	0	0	0	110.3	A281 N285	A281-D283 PolarHBondContact O-N 3.28Å; D283-N285 PolarHBondContact O-N 2.83Å
284	S	31.9	Very low	31.8	Very low	81 Å²	81	114.9 Å²	114.9	57%	0.566	64%	0.644	S	S	*	*			trans	-90.9	84.1	178.3	56.9	0	0	0	0	111	I282 V286	I282-S284 PolarHBondContact O-N 3.39Å; S284-V286 PolarHBondContact O-N 3.19Å
285	N	26.7	Very low	31.2	Very low	174 Å²	174	118.3 Å²	118.3	93%	0.93	67%	0.672	S	S	*	*			trans	-65.6	77	160.8	-86	-29.2	0	0	0	110.1	D283	D283-N285 PolarHBondContact O-N 2.83Å
286	V	31.7	Very low	30.1	Very low	110 Å²	110	126.2 Å²	126.2	67%	0.667	71%	0.708	S	S	*	*			trans	-107.9	101.2	172.2	179.3	0	0	0	0	108.2	S284 M288	S284-V286 PolarHBondContact O-N 3.19Å; V286-M288 PolarHBondContact O-N 3.39Å
287	S	24.2	Very low	29.6	Very low	107 Å²	107	131.6 Å²	131.6	75%	0.748	73%	0.733	S	S	*	*			trans	-69	90.8	-179.3	53.3	0	0	0	0	111.6	S289	S287-S289 PolarHBondContact O-N 3.32Å
288	M	28.7	Very low	28.7	Very low	168 Å²	168	134.4 Å²	134.4	83%	0.828	75%	0.752	S	S	*	*			trans	-75.6	64.2	170.4	-81.4	-63.5	-61.4	0	0	111.8	V286 N290	V286-M288 PolarHBondContact O-N 3.39Å; M288-N290 PolarHBondContact O-N 2.93Å
289	S	25.3	Very low	28.6	Very low	97 Å²	97	136.4 Å²	136.4	68%	0.678	77%	0.772	S	S	*	*			trans	-78.8	103.9	165	54.5	0	0	0	0	109.7	S287	S287-S289 PolarHBondContact O-N 3.32Å
290	N	32.4	Very low	28.5	Very low	149 Å²	149	138.9 Å²	138.9	80%	0.797	79%	0.785	S	S	*	*			trans	-155	124.4	155.2	-105.2	-29.8	0	0	0	110.9	M288	M288-N290 PolarHBondContact O-N 2.93Å
291	Q	27.6	Very low	28.5	Very low	187 Å²	187	138.5 Å²	138.5	87%	0.874	79%	0.788	S	S	*	*			trans	-81.5	127	171.8	-65.4	166.4	-46.9	0	0	108.9
292	S	31.9	Very low	28.8	Very low	115 Å²	115	142.7 Å²	142.7	80%	0.804	80%	0.799	S	S	*	*			trans	-145.3	97.4	167.7	-71.3	0	0	0	0	110.9
293	N	30.5	Very low	28.9	Very low	145 Å²	145	144 Å²	144	78%	0.775	80%	0.802	S	S	*	*			trans	-23.8	127.4	175.1	-59.6	-19	0	0	0	117.7
294	T	27.1	Very low	29.2	Very low	137 Å²	137	141.6 Å²	141.6	84%	0.84	80%	0.803	S	S	*	*			trans	-2.9	119.8	137.4	51.1	0	0	0	0	117.6
295	S	29.1	Very low	29	Very low	117 Å²	117	142.7 Å²	142.7	82%	0.818	81%	0.807	S	S	*	*			trans	-148	122.5	139	41.3	0	0	0	0	109.8
296	Q	27.3	Very low	29.3	Very low	197 Å²	197	142.6 Å²	142.6	92%	0.921	81%	0.806	S	S	*	*			trans	-87	127.5	164.7	-65.5	176.1	-3.3	0	0	107.3
297	Q	29.1	Very low	29	Very low	196 Å²	196	143 Å²	143	92%	0.916	81%	0.809	S	S	*	*			trans	-149.9	145.3	159.2	-124.7	173	11	0	0	111.5
298	M	23.9	Very low	29.3	Very low	164 Å²	164	144.3 Å²	144.3	81%	0.808	81%	0.813	S	S	*	*			trans	-90.6	145.9	-176.9	-58.5	-159.8	-60	0	0	111.1
299	C	30.1	Very low	29.5	Very low	137 Å²	137	141.9 Å²	141.9	93%	0.926	81%	0.808	S	S	*	*			trans	-124.1	81.4	165.4	-74.5	0	0	0	0	109.4
300	T	30.6	Very low	29.7	Very low	105 Å²	105	144.3 Å²	144.3	64%	0.644	81%	0.813	S	S	*	*			trans	-83.2	130.7	168	46.8	0	0	0	0	110.4
301	N	30.3	Very low	29.9	Very low	141 Å²	141	143.4 Å²	143.4	75%	0.754	81%	0.813	S	S	*	*			trans	52.9	120.5	155.5	-57.5	-8.2	0	0	0	118.9
302	N	32.7	Very low	29.9	Very low	170 Å²	170	141 Å²	141	91%	0.909	81%	0.812	S	S	*	*				-142.4	152	108.4	-104.5	-35.5	0	0	0	110.7
303	Q	30.6	Very low	30.1	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.804	81%	0.812	S	S	*	*			trans	-89	150.6	-169.2	-64.7	168.9	-50.4	0	0	112.3
304	A	32.1	Very low	30.2	Very low	104 Å²	104	140.4 Å²	140.4	86%	0.86	81%	0.808	S	S	*	*			trans	-130.7	110.6	148.1	0	0	0	0	0	107.2
305	T	27.7	Very low	30.6	Very low	104 Å²	104	140.4 Å²	140.4	64%	0.638	80%	0.803	S	S	*	*			trans	-79.1	140.1	-178	45.4	0	0	0	0	111.9
306	N	32	Very low	30.9	Very low	173 Å²	173	140.4 Å²	140.4	93%	0.925	80%	0.798	S	S	*	*			trans	-153	138.3	143.9	-98.5	-29.1	0	0	0	108.9
307	T	25.5	Very low	31.3	Very low	119 Å²	119	136.5 Å²	136.5	73%	0.73	79%	0.788	S	S	*	*			trans	-137.7	107	-158.6	-47.8	0	0	0	0	111.5
308	T	31.7	Very low	31.6	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	78%	0.778	S	S	*	*			trans	-146.6	94.8	165	-32.8	0	0	0	0	109.2
309	T	32.7	Very low	32.3	Very low	118 Å²	118	131.6 Å²	131.6	72%	0.724	77%	0.771	S	S	*	*				53.1	130.1	98.2	0.8	0	0	0	0	117.4
310	N	29.2	Very low	32.8	Very low	147 Å²	147	132.5 Å²	132.5	79%	0.786	77%	0.767	S	S	*	*			trans	-54.2	166.2	173.8	-38.5	-28.3	0	0	0	113.9
311	T	35.4	Very low	33	Very low	130 Å²	130	131 Å²	131	80%	0.798	77%	0.772	S	S	*	*				-176.4	145.7	112.9	-73.3	0	0	0	0	111.5
312	T	29.2	Very low	33.3	Very low	138 Å²	138	130.7 Å²	130.7	85%	0.847	78%	0.781	S	S	*	*			trans	-97.3	125	176.9	-40.2	0	0	0	0	110.9
313	T	36.2	Very low	33.4	Very low	131 Å²	131	126 Å²	126	80%	0.804	77%	0.773	S	S	*	*			trans	-158.1	140.1	160.1	4.7	0	0	0	0	113.2
314	T	31.6	Very low	33.6	Very low	115 Å²	115	125.7 Å²	125.7	71%	0.706	78%	0.777	S	S	*	*			trans	-92.5	151.2	161.4	51.7	0	0	0	0	110.1
315	N	35.3	Very low	33.9	Very low	138 Å²	138	128 Å²	128	74%	0.738	78%	0.775	S	S	*	*				162.6	141.6	122.8	-81.8	-5.5	0	0	0	115.3
316	T	35	Very low	34.4	Very low	116 Å²	116	129.6 Å²	129.6	71%	0.712	78%	0.78	S	S	*	*			trans	31.8	115.4	148.8	49.4	0	0	0	0	122.8
317	T	35.8	Very low	34.6	Very low	115 Å²	115	126.8 Å²	126.8	71%	0.706	77%	0.774	S	S	*	*				42.3	127.3	123.7	63.3	0	0	0	0	119.8
318	N	37.4	Very low	35	Very low	134 Å²	134	127.1 Å²	127.1	72%	0.717	77%	0.771	S	S	*	*				-172.3	153.5	68.5	-108.8	-27.1	0	0	0	115
319	N	38.6	Very low	35	Very low	123 Å²	123	129.2 Å²	129.2	66%	0.658	77%	0.771	S	S	*	*			trans	61.8	121.6	144	-65.9	-5.6	0	0	0	124.6
320	N	40.3	Very low	35	Very low	156 Å²	156	127.3 Å²	127.3	83%	0.834	76%	0.763	S	S	*	*			trans	85	138.7	135.9	-59.4	-7.8	0	0	0	121.5
321	G	34.8	Very low	35.3	Very low	73 Å²	73	127 Å²	127	75%	0.753	76%	0.76	S	S	*	*			trans	93.2	68.6	169.9	0	0	0	0	0	115
322	S	36.5	Very low	35.5	Very low	135 Å²	135	126.2 Å²	126.2	94%	0.944	75%	0.751	S	S	*	*				60.9	80.1	83.9	-171.9	0	0	0	0	115
323	G	34.7	Very low	36.3	Very low	72 Å²	72	125 Å²	125	74%	0.742	74%	0.739	S	S	*	*			trans	-168.8	132.9	168.2	0	0	0	0	0	110.7
324	N	35	Very low	37.1	Very low	165 Å²	165	121.2 Å²	121.2	88%	0.882	72%	0.715	S	S	*	*			trans	-76.5	123.6	177	-85.1	-32.2	0	0	0	110.4
325	D	38	Very low	38.3	Very low	153 Å²	153	117.1 Å²	117.1	82%	0.818	69%	0.691	S	S	*	*			trans	-173.5	76.2	132.8	-98.3	-19.9	0	0	0	110.7
326	N	37.1	Very low	39.9	Very low	137 Å²	137	112.3 Å²	112.3	73%	0.733	67%	0.666	S	S	*	*			trans	-109.8	67	175.8	-101.1	-41.2	0	0	0	110.9	N328	N326-N328 PolarHBondContact O-N 2.87Å; N326-N328 PolarHBondContact OD1-ND2 3.28Å
327	S	36.2	Very low	42.1	Very low	115 Å²	115	108.1 Å²	108.1	80%	0.804	64%	0.639	S	S	*	*			trans	-72.3	54.8	162.5	52.7	0	0	0	0	110.6	H329	S327-H329 PolarHBondContact O-N 2.75Å
328	N	35.2	Very low	44.6	Very low	126 Å²	126	103 Å²	103	67%	0.674	61%	0.607	S	S	*	*			trans	-56	102.8	-177.4	-93.2	-37.8	0	0	0	110	N326 S330	N326-N328 PolarHBondContact O-N 2.87Å; N326-N328 PolarHBondContact OD1-ND2 3.28Å; N328-S330 PolarHBondContact O-N 2.96Å
329	H	30.9	Very low	47.1	Very low	176 Å²	176	96.6 Å²	96.6	82%	0.815	57%	0.573	S	S	*	*			trans	-74.3	72.3	173.3	-166	66.6	0	0	0	108.3	S327 I331	S327-H329 PolarHBondContact O-N 2.75Å; H329-I331 PolarHBondContact O-N 3.02Å
330	S	32.2	Very low	49.6	Very low	78 Å²	78	90.8 Å²	90.8	55%	0.545	54%	0.542	S	S	.	.			trans	-58.5	109.8	175.7	60.2	0	0	0	0	108	N328 N332	N328-S330 PolarHBondContact O-N 2.96Å; S330-N332 PolarHBondContact O-N 3.25Å; S330-N332 PolarHBondContact O-OD1 3.37Å; S330-N332 PolarHBondContact OG-OD1 2.91Å; S330-N332 VanDerWaalsContact OG-OD1 3.04Å
331	I	37	Very low	52.1	Low	141 Å²	141	83.8 Å²	83.8	72%	0.723	50%	0.504	S	S	*	.			trans	-63.8	94.4	169.5	-61.6	175.5	0	0	0	105.4	H329 D333	H329-I331 PolarHBondContact O-N 3.02Å; I331-D333 PolarHBondContact O-N 3.26Å; I331-D333 VanDerWaalsContact O-N 3.1Å
332	N	38.3	Very low	54.7	Low	114 Å²	114	80.4 Å²	80.4	61%	0.61	47%	0.469	S	S	*	.			trans	-70.4	109.8	-180	-67.2	-26.4	0	0	0	107.1	S330 T334	S330-N332 PolarHBondContact O-N 3.25Å; S330-N332 PolarHBondContact O-OD1 3.37Å; S330-N332 PolarHBondContact OG-OD1 2.91Å; S330-N332 VanDerWaalsContact OG-OD1 3.04Å; N332-T334 HydrophobicContact CB-CG2 3.79Å; N332-T334 PolarHBondContact O-N 3.2Å; N332-T334 PolarHBondContact O-OG1 3.42Å
333	D	46.9	Very low	57.3	Low	113 Å²	113	74.2 Å²	74.2	60%	0.604	43%	0.425	S	S	*	.			trans	-68.3	61	169.9	-74.5	-29.9	0	0	0	111.2	I331 S335 N336	I331-D333 PolarHBondContact O-N 3.26Å; I331-D333 VanDerWaalsContact O-N 3.1Å; D333-S335 PolarHBondContact O-N 3.32Å; D333-N336 PolarHBondContact O-N 3.4Å
334	T	52.9	Low	59.7	Low	50 Å²	50	72.4 Å²	72.4	31%	0.307	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-65.3	-12.8	177.2	53.2	0	0	0	0	112.5	N332 N336 I337	N332-T334 HydrophobicContact CB-CG2 3.79Å; N332-T334 PolarHBondContact O-N 3.2Å; N332-T334 PolarHBondContact O-OG1 3.42Å; T334-N336 PolarHBondContact O-N 3.45Å; T334-N336 VanDerWaalsContact O-N 3.09Å; T334-I337 WeakPolarHBondContact O-CG1 3.4Å; T334-I337 PolarHBondContact O-N 3.06Å
335	S	55.9	Low	61.9	Low	29 Å²	29	67.4 Å²	67.4	20%	0.203	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-58.7	-22	176.4	55.6	0	0	0	0	113.8	L215 R217 D333	L215-S335 VanDerWaalsContact O-O 3.13Å; R217-S335 VanDerWaalsContact O-CA 3.26Å; R217-S335 WeakPolarHBondContact O-CA 3.4Å; D333-S335 PolarHBondContact O-N 3.32Å
336	N	68.9	Low	64	Low	38 Å²	38	61 Å²	61	20%	0.203	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-104.6	10	-168.2	-58.5	-8.5	0	0	0	112.6	Y216 D333 T334 I356 R359	Y216-N336 VanDerWaalsContact CD1-OD1 3.23Å; Y216-N336 WeakPolarHBondContact CD1-OD1 3.41Å; Y216-N336 VanDerWaalsContact CE1-OD1 3.3Å; Y216-N336 WeakPolarHBondContact CE1-OD1 3.26Å; D333-N336 PolarHBondContact O-N 3.4Å; T334-N336 PolarHBondContact O-N 3.45Å; T334-N336 VanDerWaalsContact O-N 3.09Å; N336-I356 HydrophobicContact CB-CD1 4.31Å; N336-R359 PolarHBondContact O-NE 3.28Å; N336-R359 PolarHBondContact O-NH2 3.45Å
337	I	81.8	Confident	66.1	Low	28 Å²	28	57.8 Å²	57.8	14%	0.144	33%	0.325	C	S	.	.			trans	-95.3	-5.1	-174.7	75.1	-173.6	0	0	0	114.6	T334 E352 F353	T334-I337 WeakPolarHBondContact O-CG1 3.4Å; T334-I337 PolarHBondContact O-N 3.06Å; I337-E352 HydrophobicContact CD1-CG 4Å; I337-E352 HydrophobicContact CG1-CG 4.17Å; I337-F353 WeakPolarHBondContact CB-O 3.44Å; I337-F353 PolarHBondContact O-N 3.44Å
338	L	87.8	Confident	68.5	Low	6 Å²	6	53.1 Å²	53.1	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	138.1	-176.5	-55.2	-179.8	0	0	0	112.1	L215 R217 I350 F351 E352	L215-L338 HydrophobicContact CB-CB 3.96Å; L215-L338 PolarHBondContact N-O 2.88Å; R217-L338 HydrophobicContact CB-CD1 4.12Å; R217-L338 HydrophobicContact CG-CD1 4.47Å; L338-I350 HydrophobicContact CB-CG2 4.23Å; L338-I350 HydrophobicContact CD2-CG2 4.3Å; L338-F351 WeakPolarHBondContact CA-O 3.3Å; L338-E352 HydrophobicContact CD2-CB 3.69Å; L338-E352 HydrophobicContact CD2-CG 3.87Å
339	L	90.1	Very high	70.9	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.7	175.6	-163.7	75.5	0	0	0	109.7	V212 T213 I214 L341 I350 F351 F353 R359 C362 L363 L366	V212-L339 HydrophobicContact CG2-CD1 3.98Å; V212-L339 HydrophobicContact CG2-CD2 3.99Å; V212-L339 HydrophobicContact CG2-CG 3.77Å; T213-L339 WeakPolarHBondContact O-CA 3.23Å; T213-L339 WeakPolarHBondContact O-CD1 3.38Å; I214-L339 HydrophobicContact CG1-CD1 4.34Å; L339-L341 HydrophobicContact CD2-CD1 4.19Å; L339-L341 HydrophobicContact CG-CD1 4.29Å; L339-I350 WeakPolarHBondContact O-CA 3.13Å; L339-F351 PolarHBondContact N-O 3.47Å; L339-F351 PolarHBondContact O-N 3.48Å; L339-F353 HydrophobicContact CB-CD2 4.31Å; L339-F353 HydrophobicContact CB-CE2 3.75Å; L339-F353 HydrophobicContact CD2-CE2 3.96Å; L339-F353 HydrophobicContact CD2-CZ 4.37Å; L339-R359 HydrophobicContact CB-CG 4.27Å; L339-R359 HydrophobicContact CD1-CG 4.23Å; L339-C362 HydrophobicContact CD2-CB 4.27Å; L339-L363 HydrophobicContact CD1-CB 4.11Å; L339-L363 HydrophobicContact CD1-CD1 4.3Å; L339-L366 HydrophobicContact CD2-CD1 3.91Å
340	G	90.5	Very high	73.6	Confident	1 Å²	1	40 Å²	40	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.6	177	0	0	0	0	0	111.5	V212 T213 F349	V212-G340 CarbonylContact C-O 3.54Å; V212-G340 VanDerWaalsContact CA-O 3.28Å; V212-G340 WeakPolarHBondContact CA-O 3.27Å; V212-G340 WeakPolarHBondContact CG2-O 3.28Å; T213-G340 PolarHBondContact N-O 3.03Å; T213-G340 PolarHBondContact O-N 3.38Å; G340-F349 CarbonylContact C-O 3.6Å; G340-F349 WeakPolarHBondContact CA-O 3.48Å
341	L	92.6	Very high	76.2	Confident	9 Å²	9	37.9 Å²	37.9	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.8	171.9	-78.8	71.2	0	0	0	109	L209 V212 L339 H348 F349 F351 L366	L209-L341 HydrophobicContact CD1-CB 3.76Å; L209-L341 HydrophobicContact CD1-CD2 3.98Å; L209-L341 HydrophobicContact CD1-CG 3.94Å; L209-L341 HydrophobicContact CD2-CD2 4.49Å; V212-L341 HydrophobicContact CG2-CD1 3.95Å; V212-L341 HydrophobicContact CG2-CG 4.12Å; L339-L341 HydrophobicContact CD2-CD1 4.19Å; L339-L341 HydrophobicContact CG-CD1 4.29Å; L341-H348 CarbonylContact O-C 3.58Å; L341-H348 WeakPolarHBondContact O-CA 3.36Å; L341-H348 WeakPolarHBondContact O-CB 3.43Å; L341-F349 PolarHBondContact N-O 2.89Å; L341-F349 PolarHBondContact O-N 3.21Å; L341-F351 HydrophobicContact CD1-CD2 3.53Å; L341-F351 HydrophobicContact CD1-CE2 3.56Å; L341-F351 HydrophobicContact CD2-CE2 3.76Å; L341-F351 HydrophobicContact CG-CE2 4.31Å; L341-L366 HydrophobicContact CD1-CD1 3.84Å; L341-L366 HydrophobicContact CD2-CD1 3.89Å; L341-L366 HydrophobicContact CD2-CD2 4.17Å; L341-L366 HydrophobicContact CG-CD1 3.97Å
342	F	91.1	Very high	78.5	Confident	3 Å²	3	33 Å²	33	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.5	-179.8	-54.6	-87.7	0	0	0	111.2	F210 H211 T213 H348 A385 Y411	F210-F342 HydrophobicContact CD1-CB 4.18Å; F210-F342 WeakPolarHBondContact CD1-O 3.44Å; F210-F342 VanDerWaalsContact CE1-C 3.44Å; F210-F342 HydrophobicContact CE1-CB 3.4Å; F210-F342 WeakPolarHBondContact CE1-O 3.48Å; F210-F342 HydrophobicContact CE2-CB 4.17Å; F210-F342 HydrophobicContact CZ-CB 3.39Å; F210-F342 HydrophobicContact CZ-CG 4.31Å; F210-F342 PolarHBondContact N-O 2.93Å; H211-F342 HydrophobicContact CB-CD2 4.28Å; H211-F342 AromaticContact CD2-CD2 3.83Å; H211-F342 PolarHBondContact O-N 3.23Å; T213-F342 HydrophobicContact CG2-CE2 3.6Å; T213-F342 HydrophobicContact CG2-CZ 4Å; F342-H348 HydrophobicContact CD1-CB 3.69Å; F342-H348 HydrophobicContact CE1-CB 4.06Å; F342-A385 HydrophobicContact CD2-CB 4.02Å; F342-A385 HydrophobicContact CE2-CB 4.09Å; F342-A385 VanDerWaalsContact CE2-O 3.25Å; F342-A385 WeakPolarHBondContact CE2-O 3.38Å; F342-A385 HydrophobicContact CG-CB 4.34Å; F342-A385 HydrophobicContact CZ-CB 4.49Å; F342-A385 WeakPolarHBondContact CZ-O 3.44Å; F342-Y411 AromaticContact CD1-CD1 3.91Å; F342-Y411 HydrophobicContact CD1-CD1 3.91Å; F342-Y411 AromaticContact CD1-CE1 3.66Å; F342-Y411 HydrophobicContact CD1-CE1 3.66Å; F342-Y411 HydrophobicContact CE1-CD1 4.46Å; F342-Y411 HydrophobicContact CE1-CE1 4.45Å
343	L	89.8	Confident	80.7	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.4	-179.1	-67.6	77.7	0	0	0	111.2	D208 L209 S345 G346 K347 F349 Y411	D208-L343 HydrophobicContact CB-CB 4.06Å; D208-L343 HydrophobicContact CB-CD2 4.19Å; D208-L343 HydrophobicContact CB-CG 4.34Å; D208-L343 CarbonylContact O-C 3.53Å; D208-L343 VanDerWaalsContact O-CA 3.26Å; D208-L343 WeakPolarHBondContact O-CA 3.46Å; L209-L343 HydrophobicContact CD1-CD1 4.24Å; L343-S345 PolarHBondContact O-N 3.33Å; L343-S345 VanDerWaalsContact O-N 3.16Å; L343-G346 PolarHBondContact O-N 3.23Å; L343-G346 VanDerWaalsContact O-N 3.13Å; L343-K347 PolarHBondContact N-O 2.78Å; L343-F349 HydrophobicContact CD1-CD2 3.62Å; L343-F349 HydrophobicContact CD1-CE2 3.62Å; L343-F349 HydrophobicContact CD2-CE2 4.04Å; L343-Y411 WeakPolarHBondContact O-CE2 3.32Å; L343-Y411 PolarHBondContact O-OH 2.92Å
344	E	86.1	Confident	82.3	Confident	34 Å²	34	26 Å²	26	16%	0.159	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.7	177.4	-174.9	157.7	-155.3	0	0	112.8	D208 G346 Y379 N425 L426	D208-E344 HydrophobicContact CB-CB 4.34Å; D208-E344 PolarHBondContact O-N 3.31Å; E344-G346 PolarHBondContact O-N 3.45Å; E344-Y379 VanDerWaalsContact OE2-CE1 3.24Å; E344-Y379 WeakPolarHBondContact OE2-CE1 3.47Å; E344-Y379 PolarHBondContact OE2-OH 3.35Å; E344-N425 WeakPolarHBondContact OE1-CA 3.46Å; E344-N425 PolarHBondContact OE1-OD1 2.93Å; E344-L426 HydrophobicContact CB-CD1 3.63Å; E344-L426 HydrophobicContact CB-CG 4.37Å; E344-L426 HydrophobicContact CG-CD1 3.77Å; E344-L426 HydrophobicContact CG-CG 4.11Å; E344-L426 PolarHBondContact OE1-N 2.83Å
345	S	80.7	Confident	83.6	Confident	60 Å²	60	26.6 Å²	26.6	42%	0.42	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	12.7	173.4	52.2	0	0	0	0	115.5	L343 K347	L343-S345 PolarHBondContact O-N 3.33Å; L343-S345 VanDerWaalsContact O-N 3.16Å; S345-K347 PolarHBondContact O-N 3.14Å
346	G	80.9	Confident	85.1	Confident	18 Å²	18	28.8 Å²	28.8	19%	0.186	16%	0.155	C	C	.	.	S	Bend	trans	72.3	4.1	178.9	0	0	0	0	0	114.9	S279 L343 E344 Y411	S279-G346 PolarHBondContact OG-O 2.92Å; S279-G346 VanDerWaalsContact OG-O 3.06Å; L343-G346 PolarHBondContact O-N 3.23Å; L343-G346 VanDerWaalsContact O-N 3.13Å; E344-G346 PolarHBondContact O-N 3.45Å; G346-Y411 WeakPolarHBondContact CA-OH 3.45Å; G346-Y411 PolarHBondContact O-OH 2.87Å
347	K	82.4	Confident	85.9	Confident	70 Å²	70	34 Å²	34	30%	0.304	18%	0.178	S	C	.	.			trans	-95.5	136.8	177.4	-64.6	178.9	-176.8	175.5	0	111.3	L343 S345 F349 Y411	L343-K347 PolarHBondContact N-O 2.78Å; S345-K347 PolarHBondContact O-N 3.14Å; K347-F349 HydrophobicContact CB-CZ 4.47Å; K347-Y411 PolarHBondContact N-OH 3.04Å; K347-Y411 PolarHBondContact O-OH 3.33Å
348	H	85.9	Confident	85.8	Confident	17 Å²	17	34.1 Å²	34.1	8%	0.079	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.7	168.5	69.7	-83.5	0	0	0	110.8	L341 F342 S387 Y411	L341-H348 CarbonylContact O-C 3.58Å; L341-H348 WeakPolarHBondContact O-CA 3.36Å; L341-H348 WeakPolarHBondContact O-CB 3.43Å; F342-H348 HydrophobicContact CD1-CB 3.69Å; F342-H348 HydrophobicContact CE1-CB 4.06Å; H348-S387 PolarHBondContact CE1-OG 3.46Å; H348-Y411 HydrophobicContact CB-CE1 4.35Å
349	F	86.6	Confident	85.8	Confident	23 Å²	23	34.5 Å²	34.5	10%	0.101	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.3	179.6	-56.6	-74.9	0	0	0	109.8	F69 L274 H276 G340 L341 L343 K347	F69-F349 HydrophobicContact CZ-CE1 4.04Å; L274-F349 HydrophobicContact CD1-CB 4.16Å; L274-F349 HydrophobicContact CD1-CD1 4.44Å; H276-F349 AromaticContact CD2-CD1 3.8Å; H276-F349 AromaticContact CD2-CE1 3.57Å; H276-F349 AromaticContact NE2-CE1 3.71Å; G340-F349 CarbonylContact C-O 3.6Å; G340-F349 WeakPolarHBondContact CA-O 3.48Å; L341-F349 PolarHBondContact N-O 2.89Å; L341-F349 PolarHBondContact O-N 3.21Å; L343-F349 HydrophobicContact CD1-CD2 3.62Å; L343-F349 HydrophobicContact CD1-CE2 3.62Å; L343-F349 HydrophobicContact CD2-CE2 4.04Å; K347-F349 HydrophobicContact CB-CZ 4.47Å
350	I	87.7	Confident	85.7	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.6	177.2	-57.2	-179.1	0	0	0	109.2	L215 R217 I275 Y277 L338 L339	L215-I350 HydrophobicContact CD1-CB 4.48Å; L215-I350 HydrophobicContact CD1-CD1 3.56Å; L215-I350 HydrophobicContact CD1-CG1 3.67Å; L215-I350 HydrophobicContact CD1-CG2 4.12Å; R217-I350 VanDerWaalsContact NH1-CD1 3.27Å; I275-I350 HydrophobicContact CB-CB 4.44Å; I275-I350 PolarHBondContact N-O 3.06Å; I275-I350 PolarHBondContact O-N 3.48Å; Y277-I350 HydrophobicContact CD2-CD1 4.1Å; Y277-I350 HydrophobicContact CE2-CD1 3.97Å; L338-I350 HydrophobicContact CB-CG2 4.23Å; L338-I350 HydrophobicContact CD2-CG2 4.3Å; L339-I350 WeakPolarHBondContact O-CA 3.13Å
351	F	85.4	Confident	85.5	Confident	35 Å²	35	39.8 Å²	39.8	15%	0.154	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.7	171.5	-62.2	-54	0	0	0	110.6	L65 L274 L338 L339 L341 F353	L65-F351 HydrophobicContact CD1-CE1 4.48Å; L274-F351 HydrophobicContact CD1-CD1 3.98Å; L274-F351 HydrophobicContact CD1-CE1 3.89Å; L338-F351 WeakPolarHBondContact CA-O 3.3Å; L339-F351 PolarHBondContact N-O 3.47Å; L339-F351 PolarHBondContact O-N 3.48Å; L341-F351 HydrophobicContact CD1-CD2 3.53Å; L341-F351 HydrophobicContact CD1-CE2 3.56Å; L341-F351 HydrophobicContact CD2-CE2 3.76Å; L341-F351 HydrophobicContact CG-CE2 4.31Å; F351-F353 HydrophobicContact CB-CD2 4.27Å; F351-F353 HydrophobicContact CB-CE2 3.62Å; F351-F353 HydrophobicContact CB-CZ 4.13Å
352	E	86.3	Confident	85	Confident	38 Å²	38	39.5 Å²	39.5	18%	0.178	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	115.3	171.5	179.2	170.4	-132.7	0	0	109.9	N219 C272 K273 I337 L338	N219-E352 PolarHBondContact ND2-OE1 3.41Å; C272-E352 WeakPolarHBondContact CA-O 3.43Å; C272-E352 PolarHBondContact SG-O 2.99Å; C272-E352 VanDerWaalsContact SG-O 3.36Å; K273-E352 HydrophobicContact CB-CB 4.17Å; K273-E352 WeakPolarHBondContact CD-OE2 3.47Å; K273-E352 PolarHBondContact N-O 2.88Å; K273-E352 PolarHBondContact O-N 3.42Å; I337-E352 HydrophobicContact CD1-CG 4Å; I337-E352 HydrophobicContact CG1-CG 4.17Å; L338-E352 HydrophobicContact CD2-CB 3.69Å; L338-E352 HydrophobicContact CD2-CG 3.87Å
353	F	84.5	Confident	84.9	Confident	7 Å²	7	40.7 Å²	40.7	3%	0.031	21%	0.211	C	C	.	.			trans	-96.4	154.4	-179.6	-69.9	-89.9	0	0	0	112.2	I337 L339 F351 E358 R359 C362	I337-F353 WeakPolarHBondContact CB-O 3.44Å; I337-F353 PolarHBondContact O-N 3.44Å; L339-F353 HydrophobicContact CB-CD2 4.31Å; L339-F353 HydrophobicContact CB-CE2 3.75Å; L339-F353 HydrophobicContact CD2-CE2 3.96Å; L339-F353 HydrophobicContact CD2-CZ 4.37Å; F351-F353 HydrophobicContact CB-CD2 4.27Å; F351-F353 HydrophobicContact CB-CE2 3.62Å; F351-F353 HydrophobicContact CB-CZ 4.13Å; F353-E358 HydrophobicContact CD1-CB 3.78Å; F353-R359 HydrophobicContact CB-CB 3.91Å; F353-R359 HydrophobicContact CD1-CB 4.43Å; F353-R359 HydrophobicContact CD2-CB 3.66Å; F353-R359 HydrophobicContact CD2-CG 3.71Å; F353-R359 HydrophobicContact CE2-CB 4.3Å; F353-R359 HydrophobicContact CE2-CG 4.17Å; F353-R359 HydrophobicContact CG-CB 3.74Å; F353-R359 HydrophobicContact CG-CG 4.31Å; F353-C362 HydrophobicContact CE1-CB 3.95Å; F353-C362 HydrophobicContact CE2-CB 4.46Å; F353-C362 HydrophobicContact CZ-CB 3.59Å
354	N	80	Confident	84.8	Confident	73 Å²	73	44.2 Å²	44.2	39%	0.39	23%	0.234	S	C	.	.	S	Bend	trans	-73.1	-28.8	173.7	-62.2	-54.3	0	0	0	113	R270	R270-N354 PolarHBondContact O-ND2 2.95Å; R270-N354 PolarHBondContact O-OD1 3.49Å
355	T	81.2	Confident	84.7	Confident	62 Å²	62	44 Å²	44	38%	0.38	24%	0.236	S	C	.	.	S	Bend	trans	-140.5	151.5	-173.6	72.5	0	0	0	0	111.8	H357 E358 R359	T355-H357 PolarHBondContact O-N 3.33Å; T355-E358 PolarHBondContact O-N 2.77Å; T355-E358 WeakPolarHBondContact OG1-CG 3.48Å; T355-E358 PolarHBondContact OG1-N 2.94Å; T355-R359 PolarHBondContact O-N 3.45Å
356	I	87.3	Confident	85.1	Confident	75 Å²	75	41.8 Å²	41.8	39%	0.385	22%	0.219	S	C	.	.	H	α-helix	trans	-61	-32.5	173.1	-67.3	174.9	0	0	0	111	N336 R359 N360	N336-I356 HydrophobicContact CB-CD1 4.31Å; I356-R359 PolarHBondContact O-N 3.39Å; I356-N360 WeakPolarHBondContact O-CB 3.44Å; I356-N360 PolarHBondContact O-N 2.9Å; I356-N360 PolarHBondContact O-OD1 3.36Å
357	H	84.5	Confident	85.5	Confident	147 Å²	147	44.3 Å²	44.3	68%	0.681	23%	0.228	S	C	*	.	H	α-helix	trans	-68	-48.4	178.5	-173.7	88	0	0	0	112.5	T355 R359 N360 L361	T355-H357 PolarHBondContact O-N 3.33Å; H357-R359 VanDerWaalsContact C-N 3.28Å; H357-R359 PolarHBondContact O-N 2.8Å; H357-N360 PolarHBondContact O-N 2.97Å; H357-L361 PolarHBondContact O-N 3.33Å
358	E	81	Confident	85.7	Confident	32 Å²	32	45.9 Å²	45.9	15%	0.15	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-45.1	173.6	-76.3	-171.2	-129.2	0	0	111.3	W57 K61 F353 T355 L361 C362	W57-E358 HydrophobicContact CH2-CB 3.72Å; W57-E358 HydrophobicContact CH2-CG 3.53Å; W57-E358 WeakPolarHBondContact CH2-OE2 3.49Å; W57-E358 HydrophobicContact CZ2-CB 4.23Å; W57-E358 HydrophobicContact CZ2-CG 3.85Å; W57-E358 HydrophobicContact CZ3-CG 4.19Å; W57-E358 VanDerWaalsContact CZ3-OE2 3.22Å; W57-E358 WeakPolarHBondContact CZ3-OE2 3.33Å; K61-E358 IonicContact NZ-OE1 3.7Å; K61-E358 IonicContact NZ-OE2 3.59Å; K61-E358 PolarHBondContact NZ-OE2 2.63Å; F353-E358 HydrophobicContact CD1-CB 3.78Å; T355-E358 PolarHBondContact O-N 2.77Å; T355-E358 WeakPolarHBondContact OG1-CG 3.48Å; T355-E358 PolarHBondContact OG1-N 2.94Å; E358-L361 PolarHBondContact O-N 3.24Å; E358-C362 PolarHBondContact O-N 2.98Å; E358-C362 VanDerWaalsContact O-N 3.09Å
359	R	87.9	Confident	85.7	Confident	13 Å²	13	46.1 Å²	46.1	5%	0.049	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-42.1	179.2	-176	-98.7	-70.8	172.5	-5.5	112.3	N336 L339 F353 T355 I356 H357 C362 L363	N336-R359 PolarHBondContact O-NE 3.28Å; N336-R359 PolarHBondContact O-NH2 3.45Å; L339-R359 HydrophobicContact CB-CG 4.27Å; L339-R359 HydrophobicContact CD1-CG 4.23Å; F353-R359 HydrophobicContact CB-CB 3.91Å; F353-R359 HydrophobicContact CD1-CB 4.43Å; F353-R359 HydrophobicContact CD2-CB 3.66Å; F353-R359 HydrophobicContact CD2-CG 3.71Å; F353-R359 HydrophobicContact CE2-CB 4.3Å; F353-R359 HydrophobicContact CE2-CG 4.17Å; F353-R359 HydrophobicContact CG-CB 3.74Å; F353-R359 HydrophobicContact CG-CG 4.31Å; T355-R359 PolarHBondContact O-N 3.45Å; I356-R359 PolarHBondContact O-N 3.39Å; H357-R359 VanDerWaalsContact C-N 3.28Å; H357-R359 PolarHBondContact O-N 2.8Å; R359-C362 PolarHBondContact O-N 3.43Å; R359-L363 WeakPolarHBondContact O-CB 3.36Å; R359-L363 PolarHBondContact O-N 3.47Å
360	N	88.1	Confident	85.8	Confident	61 Å²	61	46.1 Å²	46.1	33%	0.326	24%	0.237	S	C	.	.	H	α-helix	trans	-69.6	-40	178.5	-74	-7.4	0	0	0	112.3	I356 H357 C362 L363 T364	I356-N360 WeakPolarHBondContact O-CB 3.44Å; I356-N360 PolarHBondContact O-N 2.9Å; I356-N360 PolarHBondContact O-OD1 3.36Å; H357-N360 PolarHBondContact O-N 2.97Å; N360-C362 VanDerWaalsContact C-N 3.31Å; N360-C362 PolarHBondContact O-N 2.9Å; N360-L363 PolarHBondContact O-N 3.25Å; N360-T364 PolarHBondContact O-N 2.9Å; N360-T364 PolarHBondContact O-OG1 3.44Å
361	L	84.8	Confident	85.8	Confident	52 Å²	52	49.7 Å²	49.7	27%	0.272	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-38.3	175.7	-171.9	67.4	0	0	0	111.8	W57 H357 E358 S365	W57-L361 HydrophobicContact CZ2-CD2 4.15Å; H357-L361 PolarHBondContact O-N 3.33Å; E358-L361 PolarHBondContact O-N 3.24Å; L361-S365 PolarHBondContact O-N 3.43Å; L361-S365 PolarHBondContact O-OG 3.01Å
362	C	83.7	Confident	85.8	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	27%	0.271	C	S	.	.	H	α-helix	trans	-63.1	-51.8	171.8	-177.7	0	0	0	0	111.7	F58 L339 F353 E358 R359 N360 T364 S365 L366	F58-C362 HydrophobicContact CE2-CB 3.87Å; F58-C362 WeakPolarHBondContact CE2-SG 3.24Å; F58-C362 HydrophobicContact CZ-CB 4.23Å; F58-C362 WeakPolarHBondContact CZ-SG 3.44Å; L339-C362 HydrophobicContact CD2-CB 4.27Å; F353-C362 HydrophobicContact CE1-CB 3.95Å; F353-C362 HydrophobicContact CE2-CB 4.46Å; F353-C362 HydrophobicContact CZ-CB 3.59Å; E358-C362 PolarHBondContact O-N 2.98Å; E358-C362 VanDerWaalsContact O-N 3.09Å; R359-C362 PolarHBondContact O-N 3.43Å; N360-C362 VanDerWaalsContact C-N 3.31Å; N360-C362 PolarHBondContact O-N 2.9Å; C362-T364 PolarHBondContact O-N 3.32Å; C362-S365 WeakPolarHBondContact O-CA 3.44Å; C362-S365 WeakPolarHBondContact O-CB 3.22Å; C362-S365 PolarHBondContact O-N 3.32Å; C362-L366 WeakPolarHBondContact O-CG 3.46Å; C362-L366 PolarHBondContact O-N 2.94Å
363	L	88.8	Confident	85.8	Confident	28 Å²	28	50.1 Å²	50.1	15%	0.147	26%	0.263	C	S	.	.	H	α-helix	trans	-54.4	-47.9	177.1	172.8	57.7	0	0	0	112.3	V212 I214 L339 R359 N360 S365 L366 N367	V212-L363 HydrophobicContact CG1-CD1 3.54Å; V212-L363 HydrophobicContact CG2-CD1 4.26Å; I214-L363 HydrophobicContact CD1-CD2 3.92Å; I214-L363 HydrophobicContact CG1-CD2 4.08Å; L339-L363 HydrophobicContact CD1-CB 4.11Å; L339-L363 HydrophobicContact CD1-CD1 4.3Å; R359-L363 WeakPolarHBondContact O-CB 3.36Å; R359-L363 PolarHBondContact O-N 3.47Å; N360-L363 PolarHBondContact O-N 3.25Å; L363-S365 PolarHBondContact O-N 3.29Å; L363-L366 PolarHBondContact O-N 3.39Å; L363-N367 WeakPolarHBondContact O-CB 3.29Å; L363-N367 VanDerWaalsContact O-CG 3.26Å; L363-N367 PolarHBondContact O-N 2.92Å
364	T	87.5	Confident	86	Confident	80 Å²	80	53.1 Å²	53.1	49%	0.491	28%	0.276	S	S	.	.	H	α-helix	trans	-60.4	-32	176.2	-58.1	0	0	0	0	112.6	N360 C362	N360-T364 PolarHBondContact O-N 2.9Å; N360-T364 PolarHBondContact O-OG1 3.44Å; C362-T364 PolarHBondContact O-N 3.32Å
365	S	83	Confident	86.2	Confident	30 Å²	30	57 Å²	57	21%	0.21	29%	0.292	C	S	.	.	H	α-helix	trans	-76.6	-43.1	177.3	-57.2	0	0	0	0	112	L361 C362 L363 K368	L361-S365 PolarHBondContact O-N 3.43Å; L361-S365 PolarHBondContact O-OG 3.01Å; C362-S365 WeakPolarHBondContact O-CA 3.44Å; C362-S365 WeakPolarHBondContact O-CB 3.22Å; C362-S365 PolarHBondContact O-N 3.32Å; L363-S365 PolarHBondContact O-N 3.29Å; S365-K368 PolarHBondContact O-N 2.93Å
366	L	89.7	Confident	86.4	Confident	12 Å²	12	58.2 Å²	58.2	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-67.6	-36.6	178	-68	171.1	0	0	0	112.4	L209 V212 L339 L341 C362 L363 K368 I369 I370	L209-L366 HydrophobicContact CD2-CD2 3.93Å; V212-L366 HydrophobicContact CG1-CB 4.22Å; V212-L366 HydrophobicContact CG2-CD1 3.91Å; L339-L366 HydrophobicContact CD2-CD1 3.91Å; L341-L366 HydrophobicContact CD1-CD1 3.84Å; L341-L366 HydrophobicContact CD2-CD1 3.89Å; L341-L366 HydrophobicContact CD2-CD2 4.17Å; L341-L366 HydrophobicContact CG-CD1 3.97Å; C362-L366 WeakPolarHBondContact O-CG 3.46Å; C362-L366 PolarHBondContact O-N 2.94Å; L363-L366 PolarHBondContact O-N 3.39Å; L366-K368 PolarHBondContact O-N 3.22Å; L366-I369 WeakPolarHBondContact O-CB 3.37Å; L366-I369 PolarHBondContact O-N 3.01Å; L366-I370 PolarHBondContact O-N 3.43Å
367	N	88.6	Confident	86.2	Confident	72 Å²	72	56.1 Å²	56.1	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-59.9	-31.8	176.4	-76.5	-10.4	0	0	0	113	V212 L363 T371	V212-N367 WeakPolarHBondContact CG1-OD1 3.34Å; L363-N367 WeakPolarHBondContact O-CB 3.29Å; L363-N367 VanDerWaalsContact O-CG 3.26Å; L363-N367 PolarHBondContact O-N 2.92Å; N367-T371 WeakPolarHBondContact O-CB 3.43Å; N367-T371 PolarHBondContact O-N 3.42Å; N367-T371 PolarHBondContact O-OG1 3.22Å
368	K	87	Confident	86.3	Confident	103 Å²	103	52.9 Å²	52.9	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-65.7	-42	173	-66.2	174.8	-179.5	177.9	0	111.6	Y49 S365 L366 T371 M372	Y49-K368 PolarHBondContact OH-NZ 3.44Å; S365-K368 PolarHBondContact O-N 2.93Å; L366-K368 PolarHBondContact O-N 3.22Å; K368-T371 PolarHBondContact O-N 2.85Å; K368-M372 PolarHBondContact O-N 3.5Å
369	I	86.2	Confident	86.4	Confident	22 Å²	22	51.8 Å²	51.8	11%	0.113	28%	0.278	C	S	.	.	H	α-helix	trans	-66.7	-46.8	177.9	-60.3	175	0	0	0	109.9	F38 L206 L366 T371 M372 N373	F38-I369 HydrophobicContact CE2-CD1 4.18Å; F38-I369 HydrophobicContact CZ-CD1 3.84Å; F38-I369 HydrophobicContact CZ-CG1 4.19Å; L206-I369 HydrophobicContact CB-CG2 4.06Å; L206-I369 HydrophobicContact CD1-CD1 3.84Å; L366-I369 WeakPolarHBondContact O-CB 3.37Å; L366-I369 PolarHBondContact O-N 3.01Å; I369-T371 VanDerWaalsContact C-N 3.28Å; I369-T371 PolarHBondContact O-N 2.88Å; I369-M372 WeakPolarHBondContact O-CB 3.48Å; I369-M372 PolarHBondContact O-N 3.31Å; I369-N373 VanDerWaalsContact O-CG 3.29Å; I369-N373 PolarHBondContact O-N 3.29Å; I369-N373 PolarHBondContact O-OD1 3.46Å
370	I	89	Confident	86.3	Confident	22 Å²	22	53.4 Å²	53.4	11%	0.113	29%	0.29	C	S	.	.	H	α-helix	trans	-59.7	-37.8	176.1	-72	158.9	0	0	0	111.6	L209 F210 V212 L366 M372 N373 K374	L209-I370 HydrophobicContact CD2-CD1 4.05Å; L209-I370 HydrophobicContact CD2-CG1 3.88Å; L209-I370 HydrophobicContact CG-CD1 4.08Å; L209-I370 HydrophobicContact CG-CG1 3.83Å; F210-I370 WeakPolarHBondContact O-CG2 3.48Å; V212-I370 HydrophobicContact CB-CD1 3.72Å; V212-I370 HydrophobicContact CG1-CD1 3.4Å; L366-I370 PolarHBondContact O-N 3.43Å; I370-M372 VanDerWaalsContact C-N 3.33Å; I370-M372 PolarHBondContact O-N 2.78Å; I370-N373 PolarHBondContact O-N 2.85Å; I370-K374 VanDerWaalsContact O-CB 3.23Å; I370-K374 WeakPolarHBondContact O-CB 3.37Å; I370-K374 PolarHBondContact O-N 3.48Å
371	T	87	Confident	86.3	Confident	78 Å²	78	55.4 Å²	55.4	48%	0.479	30%	0.301	S	S	.	.	H	α-helix	trans	-62.6	-39.7	175.2	-58.2	0	0	0	0	111.8	N367 K368 I369 Q375	N367-T371 WeakPolarHBondContact O-CB 3.43Å; N367-T371 PolarHBondContact O-N 3.42Å; N367-T371 PolarHBondContact O-OG1 3.22Å; K368-T371 PolarHBondContact O-N 2.85Å; I369-T371 VanDerWaalsContact C-N 3.28Å; I369-T371 PolarHBondContact O-N 2.88Å; T371-Q375 WeakPolarHBondContact O-CG 3.42Å; T371-Q375 PolarHBondContact O-N 3.5Å
372	M	85.7	Confident	86.6	Confident	77 Å²	77	54 Å²	54	38%	0.379	29%	0.293	S	S	.	.	H	α-helix	trans	-67.9	-47.4	173.8	-67	173.9	173.4	0	0	111.5	I40 K368 I369 I370 K374 Q375 I376	I40-M372 HydrophobicContact CD1-CE 4.19Å; I40-M372 HydrophobicContact CD1-SD 3.71Å; K368-M372 PolarHBondContact O-N 3.5Å; I369-M372 WeakPolarHBondContact O-CB 3.48Å; I369-M372 PolarHBondContact O-N 3.31Å; I370-M372 VanDerWaalsContact C-N 3.33Å; I370-M372 PolarHBondContact O-N 2.78Å; M372-K374 VanDerWaalsContact C-N 3.31Å; M372-K374 PolarHBondContact O-N 3.28Å; M372-Q375 WeakPolarHBondContact O-CB 3.44Å; M372-Q375 PolarHBondContact O-N 3.32Å; M372-Q375 VanDerWaalsContact O-N 3.11Å; M372-I376 VanDerWaalsContact O-CG1 3.31Å; M372-I376 WeakPolarHBondContact O-CG1 3.28Å; M372-I376 PolarHBondContact O-N 3.39Å
373	N	86.7	Confident	87	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-61	-40.1	179.1	-63.6	-16.1	0	0	0	112.1	L206 N207 L209 I369 I370 Q375 I376 N377 Y379	L206-N373 PolarHBondContact O-ND2 3.21Å; N207-N373 PolarHBondContact O-ND2 3.15Å; L209-N373 PolarHBondContact O-ND2 3.41Å; I369-N373 VanDerWaalsContact O-CG 3.29Å; I369-N373 PolarHBondContact O-N 3.29Å; I369-N373 PolarHBondContact O-OD1 3.46Å; I370-N373 PolarHBondContact O-N 2.85Å; N373-Q375 VanDerWaalsContact C-N 3.3Å; N373-Q375 PolarHBondContact O-N 3.43Å; N373-I376 PolarHBondContact O-N 3.33Å; N373-N377 WeakPolarHBondContact O-CB 3.39Å; N373-N377 PolarHBondContact O-N 3.18Å; N373-Y379 HydrophobicContact CB-CD2 4.49Å; N373-Y379 HydrophobicContact CB-CE2 4.11Å
374	K	87.5	Confident	87.3	Confident	70 Å²	70	57.3 Å²	57.3	30%	0.304	31%	0.307	S	S	.	.	H	α-helix	trans	-58.7	-41	175	-174.2	-175.4	178	-167.1	0	111.7	I370 M372 A378 Y379 D381	I370-K374 VanDerWaalsContact O-CB 3.23Å; I370-K374 WeakPolarHBondContact O-CB 3.37Å; I370-K374 PolarHBondContact O-N 3.48Å; M372-K374 VanDerWaalsContact C-N 3.31Å; M372-K374 PolarHBondContact O-N 3.28Å; K374-A378 VanDerWaalsContact O-CA 3.26Å; K374-A378 WeakPolarHBondContact O-CA 3.44Å; K374-A378 PolarHBondContact O-N 3.01Å; K374-Y379 PolarHBondContact O-N 2.93Å; K374-D381 WeakPolarHBondContact CE-OD1 3.42Å; K374-D381 IonicContact NZ-OD1 3.85Å; K374-D381 PolarHBondContact NZ-OD1 3.17Å; K374-D381 IonicContact NZ-OD2 3.68Å; K374-D381 PolarHBondContact NZ-OD2 3.38Å
375	Q	85	Confident	87.6	Confident	156 Å²	156	53.5 Å²	53.5	73%	0.729	28%	0.284	S	S	*	.	H	α-helix	trans	-69.8	-38.1	175.7	-69.9	175.5	-4.8	0	0	112.8	T371 M372 N373	T371-Q375 WeakPolarHBondContact O-CG 3.42Å; T371-Q375 PolarHBondContact O-N 3.5Å; M372-Q375 WeakPolarHBondContact O-CB 3.44Å; M372-Q375 PolarHBondContact O-N 3.32Å; M372-Q375 VanDerWaalsContact O-N 3.11Å; N373-Q375 VanDerWaalsContact C-N 3.3Å; N373-Q375 PolarHBondContact O-N 3.43Å
376	I	84.9	Confident	88.2	Confident	87 Å²	87	52.1 Å²	52.1	45%	0.446	27%	0.274	S	S	.	.	H	α-helix	trans	-76.1	-46.3	-178.1	-64.4	163.5	0	0	0	111.4	I25 M372 N373	I25-I376 HydrophobicContact CD1-CD1 4.06Å; M372-I376 VanDerWaalsContact O-CG1 3.31Å; M372-I376 WeakPolarHBondContact O-CG1 3.28Å; M372-I376 PolarHBondContact O-N 3.39Å; N373-I376 PolarHBondContact O-N 3.33Å
377	N	84.2	Confident	88.3	Confident	31 Å²	31	52.7 Å²	52.7	17%	0.166	28%	0.279	C	S	.	.	H	α-helix	trans	-97.3	-5.5	-171.5	-67.8	-21.1	0	0	0	114.1	N207 N373 Y379 R427	N207-N377 PolarHBondContact O-ND2 2.83Å; N373-N377 WeakPolarHBondContact O-CB 3.39Å; N373-N377 PolarHBondContact O-N 3.18Å; N377-Y379 HydrophobicContact CB-CD1 3.93Å; N377-Y379 HydrophobicContact CB-CD2 4.22Å; N377-Y379 HydrophobicContact CB-CE1 3.53Å; N377-Y379 HydrophobicContact CB-CE2 3.86Å; N377-Y379 HydrophobicContact CB-CG 4.27Å; N377-Y379 PolarHBondContact ND2-OH 2.74Å; N377-R427 PolarHBondContact O-NE 3.46Å; N377-R427 PolarHBondContact O-NH2 2.98Å
378	A	85.4	Confident	88.6	Confident	78 Å²	78	49.4 Å²	49.4	65%	0.645	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	45.9	-176.9	0	0	0	0	0	113.4	K374	K374-A378 VanDerWaalsContact O-CA 3.26Å; K374-A378 WeakPolarHBondContact O-CA 3.44Å; K374-A378 PolarHBondContact O-N 3.01Å
379	Y	84.3	Confident	88.9	Confident	9 Å²	9	47.9 Å²	47.9	4%	0.035	26%	0.256	C	S	.	.			trans	-69	145.6	175.9	-62.4	-37.1	0	0	0	112.1	N207 F210 E344 N373 K374 N377 L426	N207-Y379 PolarHBondContact O-OH 3.12Å; F210-Y379 HydrophobicContact CB-CD2 3.63Å; F210-Y379 HydrophobicContact CB-CE2 3.56Å; F210-Y379 HydrophobicContact CB-CG 4.19Å; E344-Y379 VanDerWaalsContact OE2-CE1 3.24Å; E344-Y379 WeakPolarHBondContact OE2-CE1 3.47Å; E344-Y379 PolarHBondContact OE2-OH 3.35Å; N373-Y379 HydrophobicContact CB-CD2 4.49Å; N373-Y379 HydrophobicContact CB-CE2 4.11Å; K374-Y379 PolarHBondContact O-N 2.93Å; N377-Y379 HydrophobicContact CB-CD1 3.93Å; N377-Y379 HydrophobicContact CB-CD2 4.22Å; N377-Y379 HydrophobicContact CB-CE1 3.53Å; N377-Y379 HydrophobicContact CB-CE2 3.86Å; N377-Y379 HydrophobicContact CB-CG 4.27Å; N377-Y379 PolarHBondContact ND2-OH 2.74Å; Y379-L426 HydrophobicContact CD1-CB 3.98Å; Y379-L426 HydrophobicContact CD1-CD1 3.72Å; Y379-L426 HydrophobicContact CE1-CB 4.09Å; Y379-L426 HydrophobicContact CE1-CD1 3.34Å; Y379-L426 HydrophobicContact CE1-CG 4.36Å; Y379-L426 HydrophobicContact CE2-CD1 4.33Å; Y379-L426 HydrophobicContact CG-CD1 4.37Å
380	P	84.5	Confident	89.3	Confident	47 Å²	47	46.9 Å²	46.9	31%	0.305	25%	0.251	S	S	.	.			trans	-66.3	161.8	176.2	27.1	-33.4	0	0	0	112.7	I382 L420	P380-I382 VanDerWaalsContact C-N 3.25Å; P380-I382 HydrophobicContact CG-CD1 4.05Å; P380-I382 HydrophobicContact CG-CG1 4.08Å; P380-I382 PolarHBondContact O-N 3.28Å; P380-L420 HydrophobicContact CB-CD1 4.4Å; P380-L420 HydrophobicContact CG-CD1 4.15Å
381	D	88.7	Confident	89.4	Confident	103 Å²	103	49.5 Å²	49.5	55%	0.551	26%	0.263	S	S	*	.			trans	-73.9	73.3	178.5	-79.1	56.7	0	0	0	111.8	K374 E383 T415	K374-D381 WeakPolarHBondContact CE-OD1 3.42Å; K374-D381 IonicContact NZ-OD1 3.85Å; K374-D381 PolarHBondContact NZ-OD1 3.17Å; K374-D381 IonicContact NZ-OD2 3.68Å; K374-D381 PolarHBondContact NZ-OD2 3.38Å; D381-E383 PolarHBondContact O-N 2.86Å; D381-T415 WeakPolarHBondContact O-CB 3.43Å; D381-T415 WeakPolarHBondContact O-CG2 3.36Å
382	I	92.1	Very high	89.7	Confident	22 Å²	22	46.7 Å²	46.7	11%	0.113	24%	0.244	C	C	.	.			trans	-79.8	111.3	176.8	-62	167	0	0	0	109.3	F210 P380 F384 A385 C413 L426	F210-I382 HydrophobicContact CD2-CD1 3.79Å; F210-I382 HydrophobicContact CE2-CD1 3.91Å; P380-I382 VanDerWaalsContact C-N 3.25Å; P380-I382 HydrophobicContact CG-CD1 4.05Å; P380-I382 HydrophobicContact CG-CG1 4.08Å; P380-I382 PolarHBondContact O-N 3.28Å; I382-F384 VanDerWaalsContact CG2-O 3.24Å; I382-F384 WeakPolarHBondContact CG2-O 3.32Å; I382-A385 HydrophobicContact CG2-CB 4.25Å; I382-C413 HydrophobicContact CD1-CB 4.06Å; I382-C413 HydrophobicContact CG1-CB 4.11Å; I382-C413 HydrophobicContact CG2-CB 3.93Å; I382-L426 HydrophobicContact CD1-CD2 4.48Å
383	E	92.4	Very high	89.9	Confident	77 Å²	77	47.8 Å²	47.8	36%	0.36	25%	0.247	S	C	.	.	S	Bend	trans	-75.6	-35.8	173.7	-71.3	-170.9	-133	0	0	112	H211 D381 L414 C416 R483 L484	H211-E383 PolarHBondContact CE1-O 3.35Å; D381-E383 PolarHBondContact O-N 2.86Å; E383-L414 PolarHBondContact N-O 3.31Å; E383-C416 WeakPolarHBondContact OE1-CA 3.22Å; E383-C416 VanDerWaalsContact OE1-CB 3.32Å; E383-C416 WeakPolarHBondContact OE1-CB 3.33Å; E383-C416 PolarHBondContact OE1-N 2.98Å; E383-R483 IonicContact OE2-NH2 3.65Å; E383-L484 WeakPolarHBondContact OE1-CD2 3.43Å; E383-L484 WeakPolarHBondContact OE2-CD2 3.39Å
384	F	94.2	Very high	89.9	Confident	23 Å²	23	50.1 Å²	50.1	10%	0.101	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.1	179.8	-56.3	-89.7	0	0	0	111.3	I382 W386 C413 L414 Q480 L484	I382-F384 VanDerWaalsContact CG2-O 3.24Å; I382-F384 WeakPolarHBondContact CG2-O 3.32Å; F384-W386 HydrophobicContact CB-CE3 4.15Å; F384-W386 HydrophobicContact CB-CH2 3.34Å; F384-W386 HydrophobicContact CB-CZ2 4.09Å; F384-W386 HydrophobicContact CB-CZ3 3.36Å; F384-W386 AromaticContact CD1-CH2 3.95Å; F384-W386 HydrophobicContact CD1-CH2 3.95Å; F384-W386 HydrophobicContact CD1-CZ2 4.19Å; F384-W386 HydrophobicContact CD2-CH2 4.48Å; F384-W386 AromaticContact CG-CH2 3.7Å; F384-W386 HydrophobicContact CG-CH2 3.7Å; F384-W386 HydrophobicContact CG-CZ2 4.37Å; F384-W386 HydrophobicContact CG-CZ3 4.2Å; F384-C413 CarbonylContact O-C 3.58Å; F384-C413 WeakPolarHBondContact O-CA 3.45Å; F384-L414 PolarHBondContact N-O 3.4Å; F384-L414 PolarHBondContact O-N 3.39Å; F384-Q480 HydrophobicContact CD1-CG 4.35Å; F384-Q480 HydrophobicContact CD2-CB 4.36Å; F384-Q480 HydrophobicContact CE1-CB 4.44Å; F384-Q480 HydrophobicContact CE1-CG 3.89Å; F384-Q480 HydrophobicContact CE2-CB 4.09Å; F384-Q480 HydrophobicContact CE2-CG 4.38Å; F384-Q480 HydrophobicContact CZ-CB 4.13Å; F384-Q480 HydrophobicContact CZ-CG 3.9Å; F384-L484 HydrophobicContact CD2-CD1 4.05Å; F384-L484 HydrophobicContact CE2-CD1 4.17Å
385	A	94.4	Very high	89.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.8	167.2	0	0	0	0	0	112	F210 H211 F342 I382 L412	F210-A385 HydrophobicContact CE2-CB 4.23Å; H211-A385 HydrophobicContact CB-CB 4.27Å; H211-A385 PolarHBondContact CD2-N 3.15Å; H211-A385 PolarHBondContact NE2-N 3.16Å; H211-A385 VanDerWaalsContact NE2-N 3.18Å; F342-A385 HydrophobicContact CD2-CB 4.02Å; F342-A385 HydrophobicContact CE2-CB 4.09Å; F342-A385 VanDerWaalsContact CE2-O 3.25Å; F342-A385 WeakPolarHBondContact CE2-O 3.38Å; F342-A385 HydrophobicContact CG-CB 4.34Å; F342-A385 HydrophobicContact CZ-CB 4.49Å; F342-A385 WeakPolarHBondContact CZ-O 3.44Å; I382-A385 HydrophobicContact CG2-CB 4.25Å; A385-L412 WeakPolarHBondContact CA-O 3.36Å
386	W	94.2	Very high	89.3	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	149.4	170.5	-64	-91.2	0	0	0	110.7	F384 V388 Y411 L412 L414 L468 Y476 V477 Q480	F384-W386 HydrophobicContact CB-CE3 4.15Å; F384-W386 HydrophobicContact CB-CH2 3.34Å; F384-W386 HydrophobicContact CB-CZ2 4.09Å; F384-W386 HydrophobicContact CB-CZ3 3.36Å; F384-W386 AromaticContact CD1-CH2 3.95Å; F384-W386 HydrophobicContact CD1-CH2 3.95Å; F384-W386 HydrophobicContact CD1-CZ2 4.19Å; F384-W386 HydrophobicContact CD2-CH2 4.48Å; F384-W386 AromaticContact CG-CH2 3.7Å; F384-W386 HydrophobicContact CG-CH2 3.7Å; F384-W386 HydrophobicContact CG-CZ2 4.37Å; F384-W386 HydrophobicContact CG-CZ3 4.2Å; W386-V388 HydrophobicContact CB-CG1 4.4Å; W386-Y411 CarbonylContact O-C 3.6Å; W386-Y411 VanDerWaalsContact O-CA 3.29Å; W386-Y411 WeakPolarHBondContact O-CA 3.36Å; W386-L412 PolarHBondContact N-O 3.37Å; W386-L412 PolarHBondContact O-N 2.87Å; W386-L414 HydrophobicContact CH2-CD1 4.3Å; W386-L414 HydrophobicContact CZ3-CD1 3.75Å; W386-L414 HydrophobicContact CZ3-CG 4.04Å; W386-L468 HydrophobicContact CB-CD2 4.03Å; W386-L468 HydrophobicContact CG-CD2 4.37Å; W386-Y476 AromaticContact CZ2-CD1 3.92Å; W386-Y476 HydrophobicContact CZ2-CD1 3.92Å; W386-Y476 AromaticContact CZ2-CE1 3.89Å; W386-Y476 HydrophobicContact CZ2-CE1 3.89Å; W386-V477 HydrophobicContact CD2-CG2 3.51Å; W386-V477 HydrophobicContact CE3-CG2 3.91Å; W386-V477 HydrophobicContact CG-CG2 3.92Å; W386-V477 HydrophobicContact CH2-CG2 4.04Å; W386-V477 HydrophobicContact CZ2-CG2 3.67Å; W386-V477 HydrophobicContact CZ3-CG2 4.15Å; W386-Q480 HydrophobicContact CH2-CB 4.21Å; W386-Q480 HydrophobicContact CH2-CG 4.4Å
387	S	92.3	Very high	88.3	Confident	24 Å²	24	54 Å²	54	17%	0.168	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.3	167	-167.8	0	0	0	0	109.4	H348 H410	H348-S387 PolarHBondContact CE1-OG 3.46Å; S387-H410 WeakPolarHBondContact CA-O 3.32Å
388	V	94.1	Very high	87.2	Confident	4 Å²	4	58 Å²	58	2%	0.024	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.5	-171.1	-71.2	0	0	0	0	110.6	W386 V390 S409 H410 L412 F466 L468	W386-V388 HydrophobicContact CB-CG1 4.4Å; V388-V390 HydrophobicContact CG2-CG2 3.97Å; V388-S409 CarbonylContact O-C 3.57Å; V388-S409 WeakPolarHBondContact O-CA 3.33Å; V388-H410 HydrophobicContact CG2-CB 4.33Å; V388-H410 WeakPolarHBondContact CG2-O 3.15Å; V388-H410 PolarHBondContact N-O 2.81Å; V388-H410 PolarHBondContact O-N 3.3Å; V388-L412 HydrophobicContact CG1-CB 4.02Å; V388-L412 HydrophobicContact CG1-CD2 4.37Å; V388-L412 HydrophobicContact CG2-CB 3.73Å; V388-F466 HydrophobicContact CB-CB 4.25Å; V388-F466 HydrophobicContact CB-CD1 4.25Å; V388-F466 HydrophobicContact CG1-CB 4.11Å; V388-F466 HydrophobicContact CG2-CD1 3.91Å; V388-L468 HydrophobicContact CG1-CD2 3.49Å; V388-L468 VanDerWaalsContact CG1-CD2 3.49Å; V388-L468 HydrophobicContact CG1-CG 4Å
389	H	93.8	Very high	86.1	Confident	71 Å²	71	54.3 Å²	54.3	33%	0.329	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.1	162.2	-161.5	-85.3	0	0	0	109.7	H391 G408 Q467	H389-H391 AromaticContact CE1-CE1 3.47Å; H389-H391 PolarHBondContact CE1-CE1 3.15Å; H389-H391 VanDerWaalsContact CE1-CE1 3.47Å; H389-H391 AromaticContact CE1-NE2 3.52Å; H389-H391 AromaticContact ND1-CD2 3.74Å; H389-H391 AromaticContact ND1-CE1 3.41Å; H389-H391 PolarHBondContact ND1-CE1 2.7Å; H389-H391 AromaticContact ND1-NE2 2.96Å; H389-H391 PolarHBondContact ND1-NE2 2.79Å; H389-G408 WeakPolarHBondContact NE2-CA 3.08Å; H389-Q467 HydrophobicContact CB-CB 4.23Å; H389-Q467 PolarHBondContact N-O 3.14Å; H389-Q467 PolarHBondContact O-N 2.94Å
390	V	94.3	Very high	85.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	136.6	-170.1	-168	0	0	0	0	110.9	V388 F392 N407 G408 H410 L421 I464 I465 F466	V388-V390 HydrophobicContact CG2-CG2 3.97Å; V390-F392 HydrophobicContact CG1-CD2 4.21Å; V390-F392 HydrophobicContact CG1-CE2 3.65Å; V390-F392 HydrophobicContact CG1-CZ 3.82Å; V390-N407 WeakPolarHBondContact O-CA 3.31Å; V390-G408 PolarHBondContact N-O 3.01Å; V390-G408 PolarHBondContact O-N 3.48Å; V390-H410 HydrophobicContact CG2-CB 3.74Å; V390-L421 HydrophobicContact CG1-CD2 4.06Å; V390-L421 HydrophobicContact CG2-CD1 3.88Å; V390-L421 HydrophobicContact CG2-CD2 4.1Å; V390-L421 HydrophobicContact CG2-CG 4.47Å; V390-I464 HydrophobicContact CG1-CG2 4.1Å; V390-I465 WeakPolarHBondContact CA-O 3.46Å; V390-F466 HydrophobicContact CG1-CD1 4.38Å; V390-F466 HydrophobicContact CG1-CE1 4.13Å; V390-F466 HydrophobicContact CG2-CD1 4.12Å; V390-F466 HydrophobicContact CG2-CE1 4.23Å
391	H	92.4	Very high	84	Confident	78 Å²	78	58.7 Å²	58.7	36%	0.361	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	129.7	167	-56.7	-87.8	0	0	0	110.8	H389 N407 I465	H389-H391 AromaticContact CE1-CE1 3.47Å; H389-H391 PolarHBondContact CE1-CE1 3.15Å; H389-H391 VanDerWaalsContact CE1-CE1 3.47Å; H389-H391 AromaticContact CE1-NE2 3.52Å; H389-H391 AromaticContact ND1-CD2 3.74Å; H389-H391 AromaticContact ND1-CE1 3.41Å; H389-H391 PolarHBondContact ND1-CE1 2.7Å; H389-H391 AromaticContact ND1-NE2 2.96Å; H389-H391 PolarHBondContact ND1-NE2 2.79Å; H391-N407 WeakPolarHBondContact CA-OD1 3.23Å; H391-I465 HydrophobicContact CB-CB 4.38Å; H391-I465 PolarHBondContact N-O 3.49Å; H391-I465 PolarHBondContact O-N 2.87Å
392	F	91.8	Very high	82.9	Confident	18 Å²	18	58.7 Å²	58.7	8%	0.079	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	140.3	174.2	-63.5	-85.3	0	0	0	111.8	V390 I403 N407 L421 L431 I459 I464	V390-F392 HydrophobicContact CG1-CD2 4.21Å; V390-F392 HydrophobicContact CG1-CE2 3.65Å; V390-F392 HydrophobicContact CG1-CZ 3.82Å; F392-I403 HydrophobicContact CB-CD1 4.16Å; F392-I403 HydrophobicContact CB-CG1 4.43Å; F392-I403 HydrophobicContact CB-CG2 3.58Å; F392-I403 HydrophobicContact CD1-CG2 4.36Å; F392-I403 HydrophobicContact CD2-CG2 4.05Å; F392-I403 HydrophobicContact CG-CG2 3.75Å; F392-N407 PolarHBondContact N-OD1 2.89Å; F392-N407 VanDerWaalsContact N-OD1 3.16Å; F392-L421 HydrophobicContact CE2-CD2 4.45Å; F392-L421 HydrophobicContact CZ-CD2 3.86Å; F392-L431 HydrophobicContact CE1-CD2 3.59Å; F392-L431 HydrophobicContact CZ-CD2 3.77Å; F392-I459 HydrophobicContact CD1-CD1 4.27Å; F392-I459 HydrophobicContact CE1-CD1 4.27Å; F392-I464 HydrophobicContact CD1-CB 4.45Å; F392-I464 HydrophobicContact CD1-CG1 4.02Å; F392-I464 HydrophobicContact CD1-CG2 3.94Å; F392-I464 HydrophobicContact CE1-CD1 4.13Å; F392-I464 HydrophobicContact CE1-CG1 4.08Å; F392-I464 HydrophobicContact CE1-CG2 3.74Å; F392-I464 HydrophobicContact CZ-CG2 4.4Å
393	K	90.5	Very high	81.8	Confident	101 Å²	101	58.8 Å²	58.8	44%	0.439	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	95	173.8	-73.9	179.6	178.9	-179.1	0	110.8	C462 E463 I465	K393-C462 VanDerWaalsContact C-SG 3.53Å; K393-C462 WeakPolarHBondContact O-CA 3.18Å; K393-C462 PolarHBondContact O-SG 3.01Å; K393-C462 VanDerWaalsContact O-SG 3.38Å; K393-E463 HydrophobicContact CB-CB 4.09Å; K393-E463 WeakPolarHBondContact CB-O 3.32Å; K393-E463 VanDerWaalsContact CD-OE2 3.27Å; K393-E463 WeakPolarHBondContact CD-OE2 3.43Å; K393-E463 PolarHBondContact N-O 3.14Å; K393-E463 IonicContact NZ-OE2 2.79Å; K393-E463 PolarHBondContact O-N 2.86Å; K393-I465 HydrophobicContact CD-CD1 3.9Å
394	P	87.5	Confident	80.6	Confident	52 Å²	52	56.9 Å²	56.9	34%	0.338	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	145.4	174	20.7	-25	0	0	0	110.7	S399 T400 I403	P394-S399 WeakPolarHBondContact CB-OG 3.26Å; P394-T400 HydrophobicContact CB-CG2 4.04Å; P394-T400 HydrophobicContact CG-CG2 3.58Å; P394-I403 HydrophobicContact CB-CD1 3.53Å; P394-I403 HydrophobicContact CG-CD1 3.67Å
395	K	83.2	Confident	79.3	Confident	113 Å²	113	63.9 Å²	63.9	49%	0.491	34%	0.34	S	S	.	.	S	Bend	trans	-89.8	-39.6	166.4	-61.2	-162.2	-158.3	164.6	0	112.3	E461	K395-E461 HydrophobicContact CB-CG 4.32Å; K395-E461 HydrophobicContact CD-CG 3.77Å; K395-E461 HydrophobicContact CG-CG 4.14Å; K395-E461 PolarHBondContact N-O 2.85Å; K395-E461 IonicContact NZ-OE1 3.91Å; K395-E461 PolarHBondContact NZ-OE1 3.45Å
396	D	75.5	Confident	78	Confident	59 Å²	59	65 Å²	65	32%	0.316	35%	0.346	S	S	.	.	S	Bend	trans	-104.5	138.8	-174.8	-60	-32.7	0	0	0	110.3	T398 S399	D396-T398 PolarHBondContact O-N 3.35Å; D396-S399 PolarHBondContact N-OG 3.34Å; D396-S399 PolarHBondContact O-N 2.74Å; D396-S399 PolarHBondContact O-OG 2.83Å
397	Y	63.6	Low	77.3	Confident	224 Å²	224	69.5 Å²	69.5	88%	0.878	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.6	176.7	-67.9	-81.2	0	0	0	114.3	T400	Y397-T400 PolarHBondContact O-OG1 3.09Å
398	T	62.6	Low	77.1	Confident	113 Å²	113	68.9 Å²	68.9	69%	0.693	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-25.6	172.2	50.6	0	0	0	0	113	D396	D396-T398 PolarHBondContact O-N 3.35Å
399	S	62.3	Low	76.8	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.007	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-18.7	-179.6	60.6	0	0	0	0	113.7	P394 D396 G401 L402 I403 I459	P394-S399 WeakPolarHBondContact CB-OG 3.26Å; D396-S399 PolarHBondContact N-OG 3.34Å; D396-S399 PolarHBondContact O-N 2.74Å; D396-S399 PolarHBondContact O-OG 2.83Å; S399-G401 VanDerWaalsContact C-N 3.3Å; S399-G401 PolarHBondContact O-N 2.66Å; S399-L402 PolarHBondContact O-N 2.79Å; S399-L402 VanDerWaalsContact O-N 3.14Å; S399-I403 WeakPolarHBondContact O-CG1 3.41Å; S399-I403 PolarHBondContact O-N 3.37Å; S399-I403 VanDerWaalsContact O-N 3.09Å; S399-I459 WeakPolarHBondContact CB-O 3.48Å
400	T	63.5	Low	76.7	Confident	78 Å²	78	67.7 Å²	67.7	48%	0.479	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-40	175.8	56.6	0	0	0	0	112.4	P394 Y397 L402	P394-T400 HydrophobicContact CB-CG2 4.04Å; P394-T400 HydrophobicContact CG-CG2 3.58Å; Y397-T400 PolarHBondContact O-OG1 3.09Å; T400-L402 VanDerWaalsContact C-N 3.34Å
401	G	61.5	Low	76.7	Confident	70 Å²	70	68 Å²	68	72%	0.722	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.8	178.7	0	0	0	0	0	115.1	S399	S399-G401 VanDerWaalsContact C-N 3.3Å; S399-G401 PolarHBondContact O-N 2.66Å
402	L	63.8	Low	76.8	Confident	104 Å²	104	64.3 Å²	64.3	55%	0.545	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-18.1	174.9	-61.8	177.4	0	0	0	112.5	S399 T400	S399-L402 PolarHBondContact O-N 2.79Å; S399-L402 VanDerWaalsContact O-N 3.14Å; T400-L402 VanDerWaalsContact C-N 3.34Å
403	I	69.7	Low	76.9	Confident	24 Å²	24	63.4 Å²	63.4	12%	0.123	35%	0.347	C	S	.	.	S	Bend	trans	-73.5	125.1	173.6	-74.5	164.2	0	0	0	108.3	F392 P394 S399 I459 C462	F392-I403 HydrophobicContact CB-CD1 4.16Å; F392-I403 HydrophobicContact CB-CG1 4.43Å; F392-I403 HydrophobicContact CB-CG2 3.58Å; F392-I403 HydrophobicContact CD1-CG2 4.36Å; F392-I403 HydrophobicContact CD2-CG2 4.05Å; F392-I403 HydrophobicContact CG-CG2 3.75Å; P394-I403 HydrophobicContact CB-CD1 3.53Å; P394-I403 HydrophobicContact CG-CD1 3.67Å; S399-I403 WeakPolarHBondContact O-CG1 3.41Å; S399-I403 PolarHBondContact O-N 3.37Å; S399-I403 VanDerWaalsContact O-N 3.09Å; I403-I459 HydrophobicContact CG1-CB 4.38Å; I403-C462 HydrophobicContact CD1-CB 4.49Å
404	P	67.5	Low	77.2	Confident	36 Å²	36	58.6 Å²	58.6	23%	0.234	33%	0.326	C	S	.	.			trans	-72.5	149.2	174.9	33.1	-36.2	0	0	0	110.1	N406	P404-N406 HydrophobicContact CB-CB 4.33Å; P404-N406 VanDerWaalsContact CB-ND2 3.34Å; P404-N406 WeakPolarHBondContact CB-ND2 3.47Å; P404-N406 HydrophobicContact CG-CB 4.22Å; P404-N406 PolarHBondContact O-N 3.35Å
405	N	65.8	Low	77.5	Confident	171 Å²	171	56.5 Å²	56.5	91%	0.914	31%	0.312	S	S	*	.	S	Bend	trans	-71	53.8	175.8	-83.1	-11.9	0	0	0	112.4
406	N	68.1	Low	77.9	Confident	24 Å²	24	53.9 Å²	53.9	13%	0.128	31%	0.308	C	S	.	.			trans	-120.5	41.7	-170.8	-67.6	-24.6	0	0	0	110.9	P404 H410 K430	P404-N406 HydrophobicContact CB-CB 4.33Å; P404-N406 VanDerWaalsContact CB-ND2 3.34Å; P404-N406 WeakPolarHBondContact CB-ND2 3.47Å; P404-N406 HydrophobicContact CG-CB 4.22Å; P404-N406 PolarHBondContact O-N 3.35Å; N406-H410 PolarHBondContact O-CE1 3.49Å; N406-K430 HydrophobicContact CB-CD 4.45Å; N406-K430 WeakPolarHBondContact ND2-CD 3.26Å; N406-K430 PolarHBondContact OD1-NZ 3.4Å
407	N	80.4	Confident	78.7	Confident	94 Å²	94	54.7 Å²	54.7	50%	0.503	32%	0.315	S	S	.	.			trans	-68	145.6	158.6	-67.2	-29	0	0	0	108	V390 H391 F392	V390-N407 WeakPolarHBondContact O-CA 3.31Å; H391-N407 WeakPolarHBondContact CA-OD1 3.23Å; F392-N407 PolarHBondContact N-OD1 2.89Å; F392-N407 VanDerWaalsContact N-OD1 3.16Å
408	G	86.3	Confident	80.1	Confident	12 Å²	12	46.4 Å²	46.4	12%	0.124	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132.9	-178.2	-178.3	0	0	0	0	0	114.5	H389 V390 H410	H389-G408 WeakPolarHBondContact NE2-CA 3.08Å; V390-G408 PolarHBondContact N-O 3.01Å; V390-G408 PolarHBondContact O-N 3.48Å; G408-H410 PolarHBondContact O-N 2.87Å; G408-H410 PolarHBondContact O-ND1 3.31Å
409	S	89.1	Confident	81.7	Confident	44 Å²	44	41.4 Å²	41.4	31%	0.308	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	123.3	175.7	-56.7	0	0	0	0	112	V388 Q423	V388-S409 CarbonylContact O-C 3.57Å; V388-S409 WeakPolarHBondContact O-CA 3.33Å; S409-Q423 WeakPolarHBondContact O-CG 3.49Å
410	H	91.8	Very high	83.2	Confident	5 Å²	5	41.6 Å²	41.6	2%	0.023	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	168.5	178.3	-71.3	73.8	0	0	0	110.6	S387 V388 V390 N406 G408 L421 I422 Q423	S387-H410 WeakPolarHBondContact CA-O 3.32Å; V388-H410 HydrophobicContact CG2-CB 4.33Å; V388-H410 WeakPolarHBondContact CG2-O 3.15Å; V388-H410 PolarHBondContact N-O 2.81Å; V388-H410 PolarHBondContact O-N 3.3Å; V390-H410 HydrophobicContact CG2-CB 3.74Å; N406-H410 PolarHBondContact O-CE1 3.49Å; G408-H410 PolarHBondContact O-N 2.87Å; G408-H410 PolarHBondContact O-ND1 3.31Å; H410-L421 HydrophobicContact CB-CD1 3.8Å; H410-L421 HydrophobicContact CB-CG 4.01Å; H410-I422 CarbonylContact C-O 3.58Å; H410-I422 WeakPolarHBondContact CA-O 3.25Å; H410-Q423 PolarHBondContact NE2-OE1 3.33Å
411	Y	93.2	Very high	84.6	Confident	6 Å²	6	38.2 Å²	38.2	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.7	154.9	-55.8	-44.6	0	0	0	110.1	F210 F342 L343 G346 K347 H348 W386 I422	F210-Y411 AromaticContact CE1-CD2 3.99Å; F210-Y411 HydrophobicContact CE1-CD2 3.99Å; F210-Y411 AromaticContact CE1-CE2 3.64Å; F210-Y411 HydrophobicContact CE1-CE2 3.64Å; F210-Y411 AromaticContact CZ-CD2 3.69Å; F210-Y411 HydrophobicContact CZ-CD2 3.69Å; F210-Y411 AromaticContact CZ-CE2 3.82Å; F210-Y411 HydrophobicContact CZ-CE2 3.82Å; F210-Y411 HydrophobicContact CZ-CG 4.26Å; F342-Y411 AromaticContact CD1-CD1 3.91Å; F342-Y411 HydrophobicContact CD1-CD1 3.91Å; F342-Y411 AromaticContact CD1-CE1 3.66Å; F342-Y411 HydrophobicContact CD1-CE1 3.66Å; F342-Y411 HydrophobicContact CE1-CD1 4.46Å; F342-Y411 HydrophobicContact CE1-CE1 4.45Å; L343-Y411 WeakPolarHBondContact O-CE2 3.32Å; L343-Y411 PolarHBondContact O-OH 2.92Å; G346-Y411 WeakPolarHBondContact CA-OH 3.45Å; G346-Y411 PolarHBondContact O-OH 2.87Å; K347-Y411 PolarHBondContact N-OH 3.04Å; K347-Y411 PolarHBondContact O-OH 3.33Å; H348-Y411 HydrophobicContact CB-CE1 4.35Å; W386-Y411 CarbonylContact O-C 3.6Å; W386-Y411 VanDerWaalsContact O-CA 3.29Å; W386-Y411 WeakPolarHBondContact O-CA 3.36Å; Y411-I422 PolarHBondContact N-O 3.2Å; Y411-I422 PolarHBondContact O-N 2.78Å
412	L	95.1	Very high	86	Confident	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111.3	161.6	171.5	63.5	0	0	0	107	A385 W386 V388 L414 I419 F449 F466 V477	A385-L412 WeakPolarHBondContact CA-O 3.36Å; W386-L412 PolarHBondContact N-O 3.37Å; W386-L412 PolarHBondContact O-N 2.87Å; V388-L412 HydrophobicContact CG1-CB 4.02Å; V388-L412 HydrophobicContact CG1-CD2 4.37Å; V388-L412 HydrophobicContact CG2-CB 3.73Å; L412-L414 HydrophobicContact CD1-CD2 4.12Å; L412-L414 HydrophobicContact CG-CD2 4.45Å; L412-I419 HydrophobicContact CD1-CG2 3.67Å; L412-F449 HydrophobicContact CD2-CD1 4.44Å; L412-F466 HydrophobicContact CD1-CE1 4.19Å; L412-F466 HydrophobicContact CD1-CZ 4.21Å; L412-F466 HydrophobicContact CD2-CD1 4.37Å; L412-F466 HydrophobicContact CD2-CG 4.29Å; L412-V477 HydrophobicContact CD2-CG1 4.18Å
413	C	95	Very high	86.9	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.4	178.1	-65.6	0	0	0	0	109.6	I382 F384 L420 I422	I382-C413 HydrophobicContact CD1-CB 4.06Å; I382-C413 HydrophobicContact CG1-CB 4.11Å; I382-C413 HydrophobicContact CG2-CB 3.93Å; F384-C413 CarbonylContact O-C 3.58Å; F384-C413 WeakPolarHBondContact O-CA 3.45Å; C413-L420 HydrophobicContact CB-CB 4.1Å; C413-L420 PolarHBondContact N-O 2.91Å; C413-L420 PolarHBondContact O-N 3.04Å; C413-I422 HydrophobicContact CB-CD1 4.38Å
414	L	96	Very high	87.1	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.1	178.1	-58.7	-173.9	0	0	0	110.4	E383 F384 W386 L412 I419 F481 L484	E383-L414 PolarHBondContact N-O 3.31Å; F384-L414 PolarHBondContact N-O 3.4Å; F384-L414 PolarHBondContact O-N 3.39Å; W386-L414 HydrophobicContact CH2-CD1 4.3Å; W386-L414 HydrophobicContact CZ3-CD1 3.75Å; W386-L414 HydrophobicContact CZ3-CG 4.04Å; L412-L414 HydrophobicContact CD1-CD2 4.12Å; L412-L414 HydrophobicContact CG-CD2 4.45Å; L414-I419 HydrophobicContact CD2-CB 4.39Å; L414-I419 HydrophobicContact CD2-CG1 4.23Å; L414-I419 HydrophobicContact CD2-CG2 3.99Å; L414-F481 HydrophobicContact CD1-CB 4.07Å; L414-F481 HydrophobicContact CD1-CD2 4Å; L414-F481 HydrophobicContact CD2-CD2 3.89Å; L414-F481 HydrophobicContact CD2-CE2 4.31Å; L414-L484 HydrophobicContact CB-CD1 3.83Å; L414-L484 HydrophobicContact CD1-CD1 4.01Å
415	T	94	Very high	87.5	Confident	7 Å²	7	36.3 Å²	36.3	4%	0.043	21%	0.209	C	C	.	.			trans	-111.9	-179.7	168.9	78.8	0	0	0	0	109.9	D381 T417 E418 L420 Y435	D381-T415 WeakPolarHBondContact O-CB 3.43Å; D381-T415 WeakPolarHBondContact O-CG2 3.36Å; T415-T417 PolarHBondContact O-N 3.04Å; T415-T417 PolarHBondContact OG1-N 2.97Å; T415-E418 HydrophobicContact CG2-CG 4.39Å; T415-E418 PolarHBondContact N-O 3.11Å; T415-E418 WeakPolarHBondContact OG1-CG 3.33Å; T415-E418 PolarHBondContact OG1-N 3.21Å; T415-E418 PolarHBondContact OG1-O 3.48Å; T415-L420 HydrophobicContact CG2-CD1 3.79Å; T415-L420 HydrophobicContact CG2-CG 4.3Å; T415-Y435 VanDerWaalsContact O-CE2 3.27Å; T415-Y435 WeakPolarHBondContact O-CE2 3.26Å; T415-Y435 PolarHBondContact O-OH 3.24Å
416	C	92.1	Very high	88.1	Confident	58 Å²	58	28.3 Å²	28.3	39%	0.392	17%	0.166	S	C	.	.	S	Bend	trans	-66.1	-13	175.2	60.4	0	0	0	0	115	E383	E383-C416 WeakPolarHBondContact OE1-CA 3.22Å; E383-C416 VanDerWaalsContact OE1-CB 3.32Å; E383-C416 WeakPolarHBondContact OE1-CB 3.33Å; E383-C416 PolarHBondContact OE1-N 2.98Å
417	T	91.2	Very high	88.5	Confident	76 Å²	76	34 Å²	34	47%	0.466	19%	0.185	S	C	.	.	S	Bend	trans	-131.5	-23.5	-175.3	52.1	0	0	0	0	115	T415 Y435	T415-T417 PolarHBondContact O-N 3.04Å; T415-T417 PolarHBondContact OG1-N 2.97Å; T417-Y435 VanDerWaalsContact C-CE2 3.41Å; T417-Y435 VanDerWaalsContact O-CD2 3.24Å; T417-Y435 WeakPolarHBondContact O-CD2 3.24Å; T417-Y435 PolarHBondContact O-N 3.47Å
418	E	93.9	Very high	88.6	Confident	50 Å²	50	35.6 Å²	35.6	23%	0.234	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	160.1	-168.9	63.8	-173.4	-166.6	0	0	114.6	T415 L420 I432 I433 L434	T415-E418 HydrophobicContact CG2-CG 4.39Å; T415-E418 PolarHBondContact N-O 3.11Å; T415-E418 WeakPolarHBondContact OG1-CG 3.33Å; T415-E418 PolarHBondContact OG1-N 3.21Å; T415-E418 PolarHBondContact OG1-O 3.48Å; E418-L420 HydrophobicContact CG-CD2 4.1Å; E418-L420 HydrophobicContact CG-CG 4.45Å; E418-I432 HydrophobicContact CB-CG2 4.17Å; E418-I432 HydrophobicContact CG-CG2 4.23Å; E418-I432 VanDerWaalsContact OE2-CG2 3.25Å; E418-I432 WeakPolarHBondContact OE2-CG2 3.37Å; E418-I433 WeakPolarHBondContact CA-O 3.35Å; E418-L434 HydrophobicContact CB-CD2 3.85Å; E418-L434 WeakPolarHBondContact OE2-CD2 3.36Å
419	I	95.1	Very high	88.7	Confident	9 Å²	9	36.7 Å²	36.7	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.6	-178.2	-51.5	157.3	0	0	0	106.5	L412 L414 I432 I433 Y435 V438 I451 F481	L412-I419 HydrophobicContact CD1-CG2 3.67Å; L414-I419 HydrophobicContact CD2-CB 4.39Å; L414-I419 HydrophobicContact CD2-CG1 4.23Å; L414-I419 HydrophobicContact CD2-CG2 3.99Å; I419-I432 WeakPolarHBondContact O-CA 3.07Å; I419-I433 HydrophobicContact CB-CB 4.36Å; I419-I433 WeakPolarHBondContact CB-O 3.2Å; I419-I433 HydrophobicContact CD1-CB 4.23Å; I419-I433 HydrophobicContact CD1-CG2 4.06Å; I419-I433 WeakPolarHBondContact CG1-O 3.16Å; I419-I433 PolarHBondContact N-O 3.46Å; I419-I433 PolarHBondContact O-N 2.95Å; I419-Y435 HydrophobicContact CD1-CD1 3.95Å; I419-Y435 HydrophobicContact CD1-CE1 4.08Å; I419-Y435 HydrophobicContact CG1-CD1 3.82Å; I419-Y435 HydrophobicContact CG1-CE1 3.5Å; I419-Y435 VanDerWaalsContact CG1-CE1 3.5Å; I419-V438 HydrophobicContact CD1-CG2 3.75Å; I419-I451 HydrophobicContact CD1-CD1 4.18Å; I419-F481 HydrophobicContact CD1-CE2 3.46Å; I419-F481 VanDerWaalsContact CD1-CE2 3.46Å; I419-F481 HydrophobicContact CD1-CZ 3.62Å; I419-F481 HydrophobicContact CG1-CE2 3.72Å; I419-F481 HydrophobicContact CG1-CZ 4.33Å
420	L	94.3	Very high	88.6	Confident	5 Å²	5	38.9 Å²	38.9	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.5	-178.3	-58.3	177.9	0	0	0	109.8	P380 C413 T415 E418 I422 P429 I432	P380-L420 HydrophobicContact CB-CD1 4.4Å; P380-L420 HydrophobicContact CG-CD1 4.15Å; C413-L420 HydrophobicContact CB-CB 4.1Å; C413-L420 PolarHBondContact N-O 2.91Å; C413-L420 PolarHBondContact O-N 3.04Å; T415-L420 HydrophobicContact CG2-CD1 3.79Å; T415-L420 HydrophobicContact CG2-CG 4.3Å; E418-L420 HydrophobicContact CG-CD2 4.1Å; E418-L420 HydrophobicContact CG-CG 4.45Å; L420-I422 HydrophobicContact CB-CD1 4.31Å; L420-I422 HydrophobicContact CB-CG1 4.38Å; L420-P429 HydrophobicContact CB-CB 4.47Å; L420-P429 HydrophobicContact CD2-CB 4.25Å; L420-P429 HydrophobicContact CD2-CG 4.21Å; L420-I432 HydrophobicContact CD2-CB 4.27Å; L420-I432 HydrophobicContact CD2-CD1 4.24Å; L420-I432 HydrophobicContact CD2-CG1 3.78Å; L420-I432 HydrophobicContact CD2-CG2 3.96Å
421	L	93.5	Very high	88.6	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125	172.6	-160.2	68.8	0	0	0	110.3	V390 F392 H410 P429 K430 L431 F466	V390-L421 HydrophobicContact CG1-CD2 4.06Å; V390-L421 HydrophobicContact CG2-CD1 3.88Å; V390-L421 HydrophobicContact CG2-CD2 4.1Å; V390-L421 HydrophobicContact CG2-CG 4.47Å; F392-L421 HydrophobicContact CE2-CD2 4.45Å; F392-L421 HydrophobicContact CZ-CD2 3.86Å; H410-L421 HydrophobicContact CB-CD1 3.8Å; H410-L421 HydrophobicContact CB-CG 4.01Å; L421-P429 CarbonylContact O-C 3.51Å; L421-K430 PolarHBondContact O-N 2.88Å; L421-L431 HydrophobicContact CB-CB 3.93Å; L421-L431 HydrophobicContact CD2-CB 4.5Å; L421-L431 PolarHBondContact N-O 3.18Å; L421-L431 PolarHBondContact O-N 3.04Å; L421-F466 HydrophobicContact CD1-CE1 3.84Å
422	I	89.9	Confident	88.5	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.1	-166.8	-49.1	-177.3	0	0	0	109.7	H410 Y411 C413 L420 G424 L426 P429	H410-I422 CarbonylContact C-O 3.58Å; H410-I422 WeakPolarHBondContact CA-O 3.25Å; Y411-I422 PolarHBondContact N-O 3.2Å; Y411-I422 PolarHBondContact O-N 2.78Å; C413-I422 HydrophobicContact CB-CD1 4.38Å; L420-I422 HydrophobicContact CB-CD1 4.31Å; L420-I422 HydrophobicContact CB-CG1 4.38Å; I422-G424 WeakPolarHBondContact CG2-O 3.38Å; I422-L426 HydrophobicContact CD1-CD2 3.82Å; I422-L426 HydrophobicContact CG2-CD2 4.26Å; I422-P429 HydrophobicContact CG1-CB 4.09Å
423	Q	82.6	Confident	88.5	Confident	88 Å²	88	42.6 Å²	42.6	41%	0.411	22%	0.221	S	C	.	.	S	Bend	trans	-119	3.4	176	-156.4	174	11.6	0	0	113	S409 H410 K430	S409-Q423 WeakPolarHBondContact O-CG 3.49Å; H410-Q423 PolarHBondContact NE2-OE1 3.33Å; Q423-K430 HydrophobicContact CB-CD 3.77Å
424	G	73.6	Confident	88.5	Confident	26 Å²	26	44.6 Å²	44.6	27%	0.268	23%	0.232	S	C	.	.	S	Bend	trans	-174.1	-128.4	-176.2	0	0	0	0	0	110.2	I422 L426	I422-G424 WeakPolarHBondContact CG2-O 3.38Å; G424-L426 PolarHBondContact O-N 3.38Å
425	N	76.3	Confident	88.5	Confident	80 Å²	80	44.9 Å²	44.9	43%	0.428	23%	0.233	S	C	.	.			trans	-46	120.5	-179.3	-174.2	-42	0	0	0	112.7	E344 R427 I428	E344-N425 WeakPolarHBondContact OE1-CA 3.46Å; E344-N425 PolarHBondContact OE1-OD1 2.93Å; N425-R427 PolarHBondContact O-N 2.81Å; N425-R427 VanDerWaalsContact OD1-CB 3.24Å; N425-R427 WeakPolarHBondContact OD1-CB 3.16Å; N425-R427 PolarHBondContact OD1-N 2.78Å; N425-I428 PolarHBondContact O-N 3.19Å
426	L	78.2	Confident	88.5	Confident	3 Å²	3	54 Å²	54	2%	0.016	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.4	-171.1	-68.9	150.8	0	0	0	113.1	F210 E344 Y379 I382 I422 G424 I428	F210-L426 HydrophobicContact CB-CD1 3.42Å; F210-L426 VanDerWaalsContact CB-CD1 3.42Å; F210-L426 HydrophobicContact CB-CD2 4.47Å; F210-L426 HydrophobicContact CD1-CD1 3.5Å; F210-L426 VanDerWaalsContact CD1-CD1 3.5Å; F210-L426 HydrophobicContact CD1-CD2 3.85Å; F210-L426 HydrophobicContact CD1-CG 4.24Å; F210-L426 HydrophobicContact CD2-CD1 4.15Å; F210-L426 HydrophobicContact CD2-CD2 3.63Å; F210-L426 HydrophobicContact CE1-CD1 4.25Å; F210-L426 HydrophobicContact CE1-CD2 3.85Å; F210-L426 HydrophobicContact CE2-CD2 3.67Å; F210-L426 HydrophobicContact CG-CD1 3.42Å; F210-L426 VanDerWaalsContact CG-CD1 3.42Å; F210-L426 HydrophobicContact CG-CD2 3.72Å; F210-L426 HydrophobicContact CG-CG 4.23Å; F210-L426 HydrophobicContact CZ-CD2 3.77Å; E344-L426 HydrophobicContact CB-CD1 3.63Å; E344-L426 HydrophobicContact CB-CG 4.37Å; E344-L426 HydrophobicContact CG-CD1 3.77Å; E344-L426 HydrophobicContact CG-CG 4.11Å; E344-L426 PolarHBondContact OE1-N 2.83Å; Y379-L426 HydrophobicContact CD1-CB 3.98Å; Y379-L426 HydrophobicContact CD1-CD1 3.72Å; Y379-L426 HydrophobicContact CE1-CB 4.09Å; Y379-L426 HydrophobicContact CE1-CD1 3.34Å; Y379-L426 HydrophobicContact CE1-CG 4.36Å; Y379-L426 HydrophobicContact CE2-CD1 4.33Å; Y379-L426 HydrophobicContact CG-CD1 4.37Å; I382-L426 HydrophobicContact CD1-CD2 4.48Å; I422-L426 HydrophobicContact CD1-CD2 3.82Å; I422-L426 HydrophobicContact CG2-CD2 4.26Å; G424-L426 PolarHBondContact O-N 3.38Å; L426-I428 VanDerWaalsContact C-N 3.28Å
427	R	76.6	Confident	88.6	Confident	142 Å²	142	53.4 Å²	53.4	54%	0.536	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.1	179.8	-55	176.2	175.5	148.1	3	112.7	N377 N425	N377-R427 PolarHBondContact O-NE 3.46Å; N377-R427 PolarHBondContact O-NH2 2.98Å; N425-R427 PolarHBondContact O-N 2.81Å; N425-R427 VanDerWaalsContact OD1-CB 3.24Å; N425-R427 WeakPolarHBondContact OD1-CB 3.16Å; N425-R427 PolarHBondContact OD1-N 2.78Å
428	I	83.1	Confident	88.8	Confident	129 Å²	129	50.7 Å²	50.7	66%	0.662	24%	0.24	S	C	*	.	S	Bend	trans	-128.5	75.8	-179.6	-48.4	-178.6	0	0	0	109.1	N425 L426 K430	N425-I428 PolarHBondContact O-N 3.19Å; L426-I428 VanDerWaalsContact C-N 3.28Å; I428-K430 PolarHBondContact O-N 2.82Å
429	P	87.5	Confident	88.8	Confident	35 Å²	35	56.2 Å²	56.2	23%	0.227	26%	0.259	C	S	.	.			trans	-60	135.8	172.9	27	-35.7	0	0	0	110.6	L420 L421 I422 L431 I432	L420-P429 HydrophobicContact CB-CB 4.47Å; L420-P429 HydrophobicContact CD2-CB 4.25Å; L420-P429 HydrophobicContact CD2-CG 4.21Å; L421-P429 CarbonylContact O-C 3.51Å; I422-P429 HydrophobicContact CG1-CB 4.09Å; P429-L431 PolarHBondContact O-N 2.96Å; P429-I432 HydrophobicContact CB-CG1 4.19Å; P429-I432 HydrophobicContact CG-CD1 3.7Å; P429-I432 HydrophobicContact CG-CG1 3.66Å
430	K	88.2	Confident	88.8	Confident	90 Å²	90	61.1 Å²	61.1	39%	0.391	28%	0.282	S	S	.	.	S	Bend	trans	-70	-19.8	179.8	-88.3	-178	160.3	-150.6	0	113.5	N406 L421 Q423 I428	N406-K430 HydrophobicContact CB-CD 4.45Å; N406-K430 WeakPolarHBondContact ND2-CD 3.26Å; N406-K430 PolarHBondContact OD1-NZ 3.4Å; L421-K430 PolarHBondContact O-N 2.88Å; Q423-K430 HydrophobicContact CB-CD 3.77Å; I428-K430 PolarHBondContact O-N 2.82Å
431	L	90.6	Very high	88.9	Confident	18 Å²	18	61.5 Å²	61.5	9%	0.094	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	139.1	174.1	178.1	58.6	0	0	0	109.4	F392 L421 P429 I433 I459 I464	F392-L431 HydrophobicContact CE1-CD2 3.59Å; F392-L431 HydrophobicContact CZ-CD2 3.77Å; L421-L431 HydrophobicContact CB-CB 3.93Å; L421-L431 HydrophobicContact CD2-CB 4.5Å; L421-L431 PolarHBondContact N-O 3.18Å; L421-L431 PolarHBondContact O-N 3.04Å; P429-L431 PolarHBondContact O-N 2.96Å; L431-I433 HydrophobicContact CD1-CD1 4.23Å; L431-I433 HydrophobicContact CD1-CG1 4.02Å; L431-I433 HydrophobicContact CD2-CD1 3.8Å; L431-I433 HydrophobicContact CD2-CG1 4.39Å; L431-I433 HydrophobicContact CG-CD1 4.02Å; L431-I433 HydrophobicContact CG-CG1 4.06Å; L431-I459 HydrophobicContact CD1-CG2 3.6Å; L431-I459 HydrophobicContact CD2-CD1 4.4Å; L431-I464 HydrophobicContact CD2-CD1 4.46Å
432	I	92.8	Very high	89	Confident	67 Å²	67	63.2 Å²	63.2	34%	0.344	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.7	171.8	-52.9	-176.9	0	0	0	107.9	E418 I419 L420 P429	E418-I432 HydrophobicContact CB-CG2 4.17Å; E418-I432 HydrophobicContact CG-CG2 4.23Å; E418-I432 VanDerWaalsContact OE2-CG2 3.25Å; E418-I432 WeakPolarHBondContact OE2-CG2 3.37Å; I419-I432 WeakPolarHBondContact O-CA 3.07Å; L420-I432 HydrophobicContact CD2-CB 4.27Å; L420-I432 HydrophobicContact CD2-CD1 4.24Å; L420-I432 HydrophobicContact CD2-CG1 3.78Å; L420-I432 HydrophobicContact CD2-CG2 3.96Å; P429-I432 HydrophobicContact CB-CG1 4.19Å; P429-I432 HydrophobicContact CG-CD1 3.7Å; P429-I432 HydrophobicContact CG-CG1 3.66Å
433	I	94	Very high	89.3	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.021	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.5	173.7	-64.8	167	0	0	0	109.1	E418 I419 L431 F437 V438 T453 I459 I464	E418-I433 WeakPolarHBondContact CA-O 3.35Å; I419-I433 HydrophobicContact CB-CB 4.36Å; I419-I433 WeakPolarHBondContact CB-O 3.2Å; I419-I433 HydrophobicContact CD1-CB 4.23Å; I419-I433 HydrophobicContact CD1-CG2 4.06Å; I419-I433 WeakPolarHBondContact CG1-O 3.16Å; I419-I433 PolarHBondContact N-O 3.46Å; I419-I433 PolarHBondContact O-N 2.95Å; L431-I433 HydrophobicContact CD1-CD1 4.23Å; L431-I433 HydrophobicContact CD1-CG1 4.02Å; L431-I433 HydrophobicContact CD2-CD1 3.8Å; L431-I433 HydrophobicContact CD2-CG1 4.39Å; L431-I433 HydrophobicContact CG-CD1 4.02Å; L431-I433 HydrophobicContact CG-CG1 4.06Å; I433-F437 HydrophobicContact CG2-CB 4.19Å; I433-V438 HydrophobicContact CG2-CG2 4.18Å; I433-T453 HydrophobicContact CD1-CG2 3.9Å; I433-T453 HydrophobicContact CG2-CG2 4.46Å; I433-I459 HydrophobicContact CD1-CD1 4.18Å; I433-I464 HydrophobicContact CD1-CD1 3.43Å; I433-I464 VanDerWaalsContact CD1-CD1 3.43Å
434	L	95.3	Very high	89.9	Confident	43 Å²	43	65.3 Å²	65.3	23%	0.225	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	139.8	170	-54.4	-176.4	0	0	0	110	E418 R436 F437	E418-L434 HydrophobicContact CB-CD2 3.85Å; E418-L434 WeakPolarHBondContact OE2-CD2 3.36Å; L434-R436 HydrophobicContact CB-CG 3.92Å; L434-R436 HydrophobicContact CD1-CG 4.42Å; L434-R436 PolarHBondContact O-N 3.42Å; L434-F437 HydrophobicContact CB-CD2 3.82Å; L434-F437 HydrophobicContact CB-CE2 3.88Å; L434-F437 HydrophobicContact CD1-CE2 3.84Å; L434-F437 HydrophobicContact CD1-CZ 4.22Å; L434-F437 HydrophobicContact CG-CD2 4.26Å; L434-F437 HydrophobicContact CG-CE2 3.85Å; L434-F437 PolarHBondContact O-N 3.31Å
435	Y	95.4	Very high	90.8	Very high	5 Å²	5	75.5 Å²	75.5	2%	0.02	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-53.1	-32.7	179.6	-67.3	-60	0	0	0	113.6	T415 T417 I419 F437 V438 F481 L484 M485 S488	T415-Y435 VanDerWaalsContact O-CE2 3.27Å; T415-Y435 WeakPolarHBondContact O-CE2 3.26Å; T415-Y435 PolarHBondContact O-OH 3.24Å; T417-Y435 VanDerWaalsContact C-CE2 3.41Å; T417-Y435 VanDerWaalsContact O-CD2 3.24Å; T417-Y435 WeakPolarHBondContact O-CD2 3.24Å; T417-Y435 PolarHBondContact O-N 3.47Å; I419-Y435 HydrophobicContact CD1-CD1 3.95Å; I419-Y435 HydrophobicContact CD1-CE1 4.08Å; I419-Y435 HydrophobicContact CG1-CD1 3.82Å; I419-Y435 HydrophobicContact CG1-CE1 3.5Å; I419-Y435 VanDerWaalsContact CG1-CE1 3.5Å; Y435-F437 PolarHBondContact O-N 3.37Å; Y435-V438 WeakPolarHBondContact O-CB 3.13Å; Y435-V438 PolarHBondContact O-N 2.87Å; Y435-F481 HydrophobicContact CD1-CE2 4.34Å; Y435-F481 HydrophobicContact CD1-CZ 4.26Å; Y435-F481 HydrophobicContact CE1-CD2 4.16Å; Y435-F481 AromaticContact CE1-CE2 3.95Å; Y435-F481 HydrophobicContact CE1-CE2 3.95Å; Y435-F481 HydrophobicContact CE1-CZ 4.31Å; Y435-L484 HydrophobicContact CE1-CB 4.33Å; Y435-L484 HydrophobicContact CE2-CB 3.94Å; Y435-M485 HydrophobicContact CD1-CG 3.64Å; Y435-M485 HydrophobicContact CE1-CG 4.41Å; Y435-M485 HydrophobicContact CG-CG 4.07Å; Y435-S488 WeakPolarHBondContact CB-OG 3.24Å
436	R	94.1	Very high	91.6	Very high	198 Å²	198	75.2 Å²	75.2	75%	0.747	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-56.5	-18.8	176	75.8	176.1	73.6	162.1	2.3	115.1	L434	L434-R436 HydrophobicContact CB-CG 3.92Å; L434-R436 HydrophobicContact CD1-CG 4.42Å; L434-R436 PolarHBondContact O-N 3.42Å
437	F	94.6	Very high	92.3	Very high	47 Å²	47	75.1 Å²	75.1	21%	0.206	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-94.6	-4.3	179.5	-57.7	-46	0	0	0	113.2	I433 L434 Y435 T453 G454 A456	I433-F437 HydrophobicContact CG2-CB 4.19Å; L434-F437 HydrophobicContact CB-CD2 3.82Å; L434-F437 HydrophobicContact CB-CE2 3.88Å; L434-F437 HydrophobicContact CD1-CE2 3.84Å; L434-F437 HydrophobicContact CD1-CZ 4.22Å; L434-F437 HydrophobicContact CG-CD2 4.26Å; L434-F437 HydrophobicContact CG-CE2 3.85Å; L434-F437 PolarHBondContact O-N 3.31Å; Y435-F437 PolarHBondContact O-N 3.37Å; F437-T453 CarbonylContact O-C 3.53Å; F437-T453 WeakPolarHBondContact O-CA 3.38Å; F437-G454 PolarHBondContact O-N 3Å; F437-A456 HydrophobicContact CD1-CB 3.91Å; F437-A456 WeakPolarHBondContact CD1-O 3.43Å; F437-A456 HydrophobicContact CE1-CB 4.02Å; F437-A456 VanDerWaalsContact CE1-O 3.23Å; F437-A456 WeakPolarHBondContact CE1-O 3.37Å
438	V	95.4	Very high	93.2	Very high	18 Å²	18	70.1 Å²	70.1	11%	0.109	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.5	176.3	176.7	0	0	0	0	109.1	I419 I433 Y435 I451 F481 M485	I419-V438 HydrophobicContact CD1-CG2 3.75Å; I433-V438 HydrophobicContact CG2-CG2 4.18Å; Y435-V438 WeakPolarHBondContact O-CB 3.13Å; Y435-V438 PolarHBondContact O-N 2.87Å; V438-I451 HydrophobicContact CB-CG2 4.28Å; V438-I451 HydrophobicContact CG1-CG2 3.73Å; V438-I451 HydrophobicContact CG2-CG2 3.63Å; V438-F481 HydrophobicContact CG1-CE1 4.23Å; V438-F481 HydrophobicContact CG1-CZ 4.26Å; V438-F481 HydrophobicContact CG2-CZ 4.2Å; V438-M485 HydrophobicContact CB-SD 4.08Å; V438-M485 HydrophobicContact CG1-SD 3.84Å
439	R	94.2	Very high	93.9	Very high	167 Å²	167	64 Å²	64	63%	0.63	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	-33.4	178.3	-62.2	-179.2	69.2	174.8	7.9	112.2	Y452 E461	R439-Y452 PolarHBondContact N-O 2.93Å; R439-E461 IonicContact NH1-OE1 2.92Å; R439-E461 PolarHBondContact NH1-OE1 2.92Å; R439-E461 IonicContact NH1-OE2 3.24Å
440	Q	94.7	Very high	94.3	Very high	112 Å²	112	63.6 Å²	63.6	52%	0.523	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	149.3	-176.6	-177.9	176.6	14.8	0	0	109.4	V442 Y452	Q440-V442 HydrophobicContact CG-CG2 4.17Å; Q440-Y452 HydrophobicContact CB-CD2 3.97Å; Q440-Y452 HydrophobicContact CG-CD2 4.17Å; Q440-Y452 PolarHBondContact O-N 2.77Å
441	C	96.6	Very high	94.8	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.088	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	155.3	165.6	59.5	0	0	0	0	110.2	F449 R450 H478 F481 M485	C441-F449 HydrophobicContact CB-CE2 3.78Å; C441-F449 HydrophobicContact CB-CZ 3.85Å; C441-R450 CarbonylContact C-O 3.56Å; C441-R450 WeakPolarHBondContact CA-O 3.42Å; C441-H478 PolarHBondContact O-NE2 2.86Å; C441-H478 PolarHBondContact SG-CD2 3.46Å; C441-F481 HydrophobicContact CB-CD1 4.02Å; C441-F481 HydrophobicContact CB-CE1 3.72Å; C441-M485 VanDerWaalsContact SG-CE 3.51Å
442	V	96.2	Very high	95	Very high	41 Å²	41	60.5 Å²	60.5	25%	0.248	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	125.4	-176.9	-178	0	0	0	0	110.8	Q440 R444 R450 Y452	Q440-V442 HydrophobicContact CG-CG2 4.17Å; V442-R444 HydrophobicContact CG1-CG 4.39Å; V442-R450 PolarHBondContact N-O 2.92Å; V442-R450 PolarHBondContact O-N 2.96Å; V442-Y452 HydrophobicContact CG2-CE2 4.21Å
443	S	96.3	Very high	95.1	Very high	31 Å²	31	57.3 Å²	57.3	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	140.1	162.2	55	0	0	0	0	111.7	A474 H478	S443-A474 WeakPolarHBondContact CB-O 3.44Å; S443-H478 WeakPolarHBondContact CB-ND1 3.49Å; S443-H478 PolarHBondContact N-ND1 2.89Å; S443-H478 PolarHBondContact OG-ND1 3.22Å
444	R	94.4	Very high	95	Very high	102 Å²	102	57.5 Å²	57.5	39%	0.385	25%	0.25	S	C	.	.			trans	-120.7	159.3	177	-71.2	179.5	172.5	-129	-3.2	112.3	V442 D446 G447 Q448 R450	V442-R444 HydrophobicContact CG1-CG 4.39Å; R444-D446 WeakPolarHBondContact CB-OD1 3.33Å; R444-D446 PolarHBondContact O-N 3.5Å; R444-G447 PolarHBondContact O-N 2.8Å; R444-Q448 HydrophobicContact CB-CB 4.4Å; R444-Q448 PolarHBondContact N-O 3.5Å; R444-R450 VanDerWaalsContact CZ-CZ 3.47Å
445	R	92.7	Very high	94.8	Very high	240 Å²	240	64.3 Å²	64.3	91%	0.906	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.4	-180	-65.6	-177	-178.7	166.2	-0.1	114.4	G447	R445-G447 VanDerWaalsContact C-N 3.32Å
446	D	92.8	Very high	94.6	Very high	75 Å²	75	67.6 Å²	67.6	40%	0.401	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	6.4	176.7	53.6	18.2	0	0	0	112.8	R444 Q448 Q467	R444-D446 WeakPolarHBondContact CB-OD1 3.33Å; R444-D446 PolarHBondContact O-N 3.5Å; D446-Q448 VanDerWaalsContact C-N 3.31Å; D446-Q448 WeakPolarHBondContact OD1-CB 3.27Å; D446-Q448 WeakPolarHBondContact OD1-CG 3.24Å; D446-Q448 PolarHBondContact OD1-N 3.31Å; D446-Q467 PolarHBondContact O-NE2 3.31Å
447	G	93	Very high	94.5	Very high	1 Å²	1	58.5 Å²	58.5	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	80	8	-174.8	0	0	0	0	0	114	R444 R445 Q467 L468	R444-G447 PolarHBondContact O-N 2.8Å; R445-G447 VanDerWaalsContact C-N 3.32Å; G447-Q467 PolarHBondContact O-NE2 3.12Å; G447-L468 WeakPolarHBondContact O-CB 3.38Å; G447-L468 PolarHBondContact O-N 2.68Å
448	Q	96	Very high	94.1	Very high	36 Å²	36	60.1 Å²	60.1	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.7	176.4	-62.4	178.2	6.4	0	0	111.7	R444 D446 R450 I465 F466 Q467	R444-Q448 HydrophobicContact CB-CB 4.4Å; R444-Q448 PolarHBondContact N-O 3.5Å; D446-Q448 VanDerWaalsContact C-N 3.31Å; D446-Q448 WeakPolarHBondContact OD1-CB 3.27Å; D446-Q448 WeakPolarHBondContact OD1-CG 3.24Å; D446-Q448 PolarHBondContact OD1-N 3.31Å; Q448-R450 HydrophobicContact CB-CG 4.44Å; Q448-R450 VanDerWaalsContact OE1-NE 3.16Å; Q448-I465 HydrophobicContact CB-CG2 4.16Å; Q448-I465 HydrophobicContact CG-CG2 4.04Å; Q448-F466 WeakPolarHBondContact CA-O 3.42Å; Q448-Q467 VanDerWaalsContact NE2-OE1 3.1Å
449	F	97.3	Very high	93.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.8	159.6	176.7	-121.7	0	0	0	108.7	L412 C441 I451 F466 L468 V477 H478 F481	L412-F449 HydrophobicContact CD2-CD1 4.44Å; C441-F449 HydrophobicContact CB-CE2 3.78Å; C441-F449 HydrophobicContact CB-CZ 3.85Å; F449-I451 HydrophobicContact CD1-CG1 4.47Å; F449-I451 HydrophobicContact CE1-CD1 3.87Å; F449-I451 HydrophobicContact CE1-CG1 3.74Å; F449-I451 HydrophobicContact CZ-CD1 4.35Å; F449-I451 HydrophobicContact CZ-CG1 3.93Å; F449-F466 HydrophobicContact CB-CB 4.45Å; F449-F466 AromaticContact CD1-CD2 3.87Å; F449-F466 HydrophobicContact CD1-CD2 3.87Å; F449-F466 HydrophobicContact CE1-CD2 4.46Å; F449-F466 PolarHBondContact N-O 2.92Å; F449-F466 PolarHBondContact O-N 2.89Å; F449-L468 HydrophobicContact CB-CD1 3.95Å; F449-V477 HydrophobicContact CB-CG1 4.34Å; F449-V477 HydrophobicContact CD1-CG1 3.47Å; F449-V477 VanDerWaalsContact CD1-CG1 3.47Å; F449-V477 HydrophobicContact CD2-CG1 4.45Å; F449-V477 HydrophobicContact CE1-CG1 3.8Å; F449-V477 HydrophobicContact CG-CG1 3.83Å; F449-V477 HydrophobicContact CZ-CG1 4.43Å; F449-H478 HydrophobicContact CD2-CB 3.76Å; F449-H478 HydrophobicContact CE2-CB 3.68Å; F449-H478 AromaticContact CE2-CD2 3.76Å; F449-H478 AromaticContact CE2-CG 3.93Å; F449-F481 HydrophobicContact CE1-CB 4.44Å; F449-F481 AromaticContact CE1-CD2 3.91Å; F449-F481 HydrophobicContact CE1-CD2 3.91Å; F449-F481 HydrophobicContact CE1-CE2 4.25Å; F449-F481 HydrophobicContact CE1-CG 4.08Å; F449-F481 HydrophobicContact CZ-CB 3.93Å; F449-F481 AromaticContact CZ-CD1 3.73Å; F449-F481 HydrophobicContact CZ-CD1 3.73Å; F449-F481 AromaticContact CZ-CD2 3.85Å; F449-F481 HydrophobicContact CZ-CD2 3.85Å; F449-F481 HydrophobicContact CZ-CE1 4.14Å; F449-F481 HydrophobicContact CZ-CE2 4.24Å; F449-F481 AromaticContact CZ-CG 3.57Å; F449-F481 HydrophobicContact CZ-CG 3.57Å; F449-F481 HydrophobicContact CZ-CZ 4.38Å
450	R	96.8	Very high	93.7	Very high	27 Å²	27	52 Å²	52	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	140.1	-176.8	-57.9	-162.7	-177.8	-175.6	4.1	111.9	C441 V442 R444 Q448 E463 I464 I465	C441-R450 CarbonylContact C-O 3.56Å; C441-R450 WeakPolarHBondContact CA-O 3.42Å; V442-R450 PolarHBondContact N-O 2.92Å; V442-R450 PolarHBondContact O-N 2.96Å; R444-R450 VanDerWaalsContact CZ-CZ 3.47Å; Q448-R450 HydrophobicContact CB-CG 4.44Å; Q448-R450 VanDerWaalsContact OE1-NE 3.16Å; R450-E463 WeakPolarHBondContact CD-OE1 3.24Å; R450-E463 IonicContact CZ-OE1 2.64Å; R450-E463 IonicContact NE-OE1 2.63Å; R450-E463 IonicContact NH1-OE1 2.66Å; R450-E463 PolarHBondContact NH1-OE1 2.97Å; R450-E463 IonicContact NH1-OE2 3.56Å; R450-E463 PolarHBondContact NH1-OE2 2.99Å; R450-I464 CarbonylContact C-O 3.56Å; R450-I464 WeakPolarHBondContact CA-O 3.35Å; R450-I465 HydrophobicContact CG-CB 4.48Å; R450-I465 HydrophobicContact CG-CG1 4.1Å; R450-I465 HydrophobicContact CG-CG2 4.25Å
451	I	96.8	Very high	93.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.2	176.4	-61.3	-177.7	0	0	0	108.6	I419 V438 F449 T453 E463 I464 F466 F481	I419-I451 HydrophobicContact CD1-CD1 4.18Å; V438-I451 HydrophobicContact CB-CG2 4.28Å; V438-I451 HydrophobicContact CG1-CG2 3.73Å; V438-I451 HydrophobicContact CG2-CG2 3.63Å; F449-I451 HydrophobicContact CD1-CG1 4.47Å; F449-I451 HydrophobicContact CE1-CD1 3.87Å; F449-I451 HydrophobicContact CE1-CG1 3.74Å; F449-I451 HydrophobicContact CZ-CD1 4.35Å; F449-I451 HydrophobicContact CZ-CG1 3.93Å; I451-T453 HydrophobicContact CG2-CG2 4.43Å; I451-E463 WeakPolarHBondContact O-CA 3.37Å; I451-I464 HydrophobicContact CB-CB 4.44Å; I451-I464 PolarHBondContact N-O 3.34Å; I451-I464 PolarHBondContact O-N 3.23Å; I451-F466 HydrophobicContact CB-CE2 4.41Å; I451-F466 HydrophobicContact CD1-CD2 4.45Å; I451-F466 HydrophobicContact CD1-CE2 3.57Å; I451-F466 HydrophobicContact CD1-CZ 4.28Å; I451-F466 HydrophobicContact CG1-CD2 4.46Å; I451-F466 HydrophobicContact CG1-CE2 3.86Å; I451-F481 HydrophobicContact CD1-CD2 4.32Å; I451-F481 HydrophobicContact CD1-CE1 4.49Å; I451-F481 HydrophobicContact CD1-CE2 3.36Å; I451-F481 HydrophobicContact CD1-CZ 3.48Å; I451-F481 VanDerWaalsContact CD1-CZ 3.48Å; I451-F481 HydrophobicContact CG1-CE2 4.24Å; I451-F481 HydrophobicContact CG1-CZ 3.97Å
452	Y	95.8	Very high	93.3	Very high	42 Å²	42	46.5 Å²	46.5	17%	0.165	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109	171.3	-60.2	-77.7	0	0	0	109.6	R439 Q440 V442 C462 E463	R439-Y452 PolarHBondContact N-O 2.93Å; Q440-Y452 HydrophobicContact CB-CD2 3.97Å; Q440-Y452 HydrophobicContact CG-CD2 4.17Å; Q440-Y452 PolarHBondContact O-N 2.77Å; V442-Y452 HydrophobicContact CG2-CE2 4.21Å; Y452-C462 WeakPolarHBondContact CA-O 3.32Å; Y452-E463 HydrophobicContact CD1-CB 3.81Å; Y452-E463 HydrophobicContact CD1-CG 4.05Å; Y452-E463 HydrophobicContact CE1-CB 3.64Å; Y452-E463 HydrophobicContact CE1-CG 3.48Å; Y452-E463 VanDerWaalsContact CE1-CG 3.48Å; Y452-E463 VanDerWaalsContact CE1-OE1 3.26Å; Y452-E463 WeakPolarHBondContact CE1-OE1 2.96Å; Y452-E463 VanDerWaalsContact CZ-OE1 3.27Å; Y452-E463 PolarHBondContact OH-OE1 2.86Å
453	T	94.9	Very high	93.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	148.8	174.3	60.2	0	0	0	0	111.2	I433 F437 I451 I459 G460 E461 C462 I464	I433-T453 HydrophobicContact CD1-CG2 3.9Å; I433-T453 HydrophobicContact CG2-CG2 4.46Å; F437-T453 CarbonylContact O-C 3.53Å; F437-T453 WeakPolarHBondContact O-CA 3.38Å; I451-T453 HydrophobicContact CG2-CG2 4.43Å; T453-I459 HydrophobicContact CG2-CD1 4.38Å; T453-G460 PolarHBondContact OG1-O 2.76Å; T453-E461 WeakPolarHBondContact O-CA 3.35Å; T453-C462 PolarHBondContact N-O 3.24Å; T453-C462 WeakPolarHBondContact OG1-CB 3.29Å; T453-C462 PolarHBondContact OG1-N 3.03Å; T453-C462 PolarHBondContact OG1-O 3.18Å; T453-I464 HydrophobicContact CG2-CD1 4.01Å; T453-I464 HydrophobicContact CG2-CG1 4.49Å
454	G	92.8	Very high	93.1	Very high	9 Å²	9	44.4 Å²	44.4	9%	0.093	21%	0.211	C	C	.	.			trans	-88.9	166.1	168.2	0	0	0	0	0	112.4	F437 A456 S457 G460	F437-G454 PolarHBondContact O-N 3Å; G454-A456 PolarHBondContact O-N 3.18Å; G454-S457 WeakPolarHBondContact O-CB 3.2Å; G454-S457 PolarHBondContact O-N 3.17Å; G454-G460 CarbonylContact O-C 3.55Å
455	R	91	Very high	93.2	Very high	185 Å²	185	39.9 Å²	39.9	70%	0.698	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.1	-178.3	-57.7	176.4	-170	-174.4	-8.1	115.1	S457 E461	R455-S457 VanDerWaalsContact C-N 3.33Å; R455-E461 HydrophobicContact CG-CB 3.75Å; R455-E461 WeakPolarHBondContact CG-OE2 3.46Å; R455-E461 IonicContact CZ-OE2 3.91Å; R455-E461 IonicContact NE-OE2 2.73Å; R455-E461 PolarHBondContact NE-OE2 2.74Å; R455-E461 IonicContact NH2-OE2 3.03Å
456	A	90.3	Very high	93.4	Very high	75 Å²	75	28.7 Å²	28.7	62%	0.62	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.5	175.2	0	0	0	0	0	114	F437 G454	F437-A456 HydrophobicContact CD1-CB 3.91Å; F437-A456 WeakPolarHBondContact CD1-O 3.43Å; F437-A456 HydrophobicContact CE1-CB 4.02Å; F437-A456 VanDerWaalsContact CE1-O 3.23Å; F437-A456 WeakPolarHBondContact CE1-O 3.37Å; G454-A456 PolarHBondContact O-N 3.18Å
457	S	91.6	Very high	93.5	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.049	15%	0.147	C	C	.	.	S	Bend	trans	-68.6	148.9	172.3	-168.8	0	0	0	0	110.8	G454 R455 I459 G460	G454-S457 WeakPolarHBondContact O-CB 3.2Å; G454-S457 PolarHBondContact O-N 3.17Å; R455-S457 VanDerWaalsContact C-N 3.33Å; S457-I459 PolarHBondContact O-N 3.22Å; S457-G460 PolarHBondContact O-N 3.17Å
458	P	87.6	Confident	93.6	Very high	80 Å²	80	28.4 Å²	28.4	52%	0.519	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-25	176.5	-28.1	36.1	0	0	0	115
459	I	89.8	Confident	93.3	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	8.1	176.9	63.7	166.3	0	0	0	113.9	F392 S399 I403 L431 I433 T453 S457 C462 I464	F392-I459 HydrophobicContact CD1-CD1 4.27Å; F392-I459 HydrophobicContact CE1-CD1 4.27Å; S399-I459 WeakPolarHBondContact CB-O 3.48Å; I403-I459 HydrophobicContact CG1-CB 4.38Å; L431-I459 HydrophobicContact CD1-CG2 3.6Å; L431-I459 HydrophobicContact CD2-CD1 4.4Å; I433-I459 HydrophobicContact CD1-CD1 4.18Å; T453-I459 HydrophobicContact CG2-CD1 4.38Å; S457-I459 PolarHBondContact O-N 3.22Å; I459-C462 HydrophobicContact CD1-CB 3.9Å; I459-C462 HydrophobicContact CG1-CB 4.41Å; I459-I464 HydrophobicContact CD1-CD1 3.89Å; I459-I464 HydrophobicContact CD1-CG1 4.18Å
460	G	90	Very high	93	Very high	11 Å²	11	31.5 Å²	31.5	11%	0.113	18%	0.176	C	C	.	.			trans	70.3	-158.2	-173	0	0	0	0	0	114.2	T453 G454 S457 C462	T453-G460 PolarHBondContact OG1-O 2.76Å; G454-G460 CarbonylContact O-C 3.55Å; S457-G460 PolarHBondContact O-N 3.17Å; G460-C462 PolarHBondContact O-N 3.23Å
461	E	91.6	Very high	92.8	Very high	10 Å²	10	34.4 Å²	34.4	5%	0.047	19%	0.19	C	C	.	.	S	Bend	trans	-86.3	107.6	-179	177.5	155.6	-164.4	0	0	111.5	K395 R439 T453 R455	K395-E461 HydrophobicContact CB-CG 4.32Å; K395-E461 HydrophobicContact CD-CG 3.77Å; K395-E461 HydrophobicContact CG-CG 4.14Å; K395-E461 PolarHBondContact N-O 2.85Å; K395-E461 IonicContact NZ-OE1 3.91Å; K395-E461 PolarHBondContact NZ-OE1 3.45Å; R439-E461 IonicContact NH1-OE1 2.92Å; R439-E461 PolarHBondContact NH1-OE1 2.92Å; R439-E461 IonicContact NH1-OE2 3.24Å; T453-E461 WeakPolarHBondContact O-CA 3.35Å; R455-E461 HydrophobicContact CG-CB 3.75Å; R455-E461 WeakPolarHBondContact CG-OE2 3.46Å; R455-E461 IonicContact CZ-OE2 3.91Å; R455-E461 IonicContact NE-OE2 2.73Å; R455-E461 PolarHBondContact NE-OE2 2.74Å; R455-E461 IonicContact NH2-OE2 3.03Å
462	C	92.1	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.7	-168.3	-176.9	0	0	0	0	111.1	K393 I403 Y452 T453 I459 G460	K393-C462 VanDerWaalsContact C-SG 3.53Å; K393-C462 WeakPolarHBondContact O-CA 3.18Å; K393-C462 PolarHBondContact O-SG 3.01Å; K393-C462 VanDerWaalsContact O-SG 3.38Å; I403-C462 HydrophobicContact CD1-CB 4.49Å; Y452-C462 WeakPolarHBondContact CA-O 3.32Å; T453-C462 PolarHBondContact N-O 3.24Å; T453-C462 WeakPolarHBondContact OG1-CB 3.29Å; T453-C462 PolarHBondContact OG1-N 3.03Å; T453-C462 PolarHBondContact OG1-O 3.18Å; I459-C462 HydrophobicContact CD1-CB 3.9Å; I459-C462 HydrophobicContact CG1-CB 4.41Å; G460-C462 PolarHBondContact O-N 3.23Å
463	E	94	Very high	92.3	Very high	26 Å²	26	34 Å²	34	12%	0.121	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	111.3	161.8	174.3	-178.9	-125.1	0	0	108.1	K393 R450 I451 Y452 I465	K393-E463 HydrophobicContact CB-CB 4.09Å; K393-E463 WeakPolarHBondContact CB-O 3.32Å; K393-E463 VanDerWaalsContact CD-OE2 3.27Å; K393-E463 WeakPolarHBondContact CD-OE2 3.43Å; K393-E463 PolarHBondContact N-O 3.14Å; K393-E463 IonicContact NZ-OE2 2.79Å; K393-E463 PolarHBondContact O-N 2.86Å; R450-E463 WeakPolarHBondContact CD-OE1 3.24Å; R450-E463 IonicContact CZ-OE1 2.64Å; R450-E463 IonicContact NE-OE1 2.63Å; R450-E463 IonicContact NH1-OE1 2.66Å; R450-E463 PolarHBondContact NH1-OE1 2.97Å; R450-E463 IonicContact NH1-OE2 3.56Å; R450-E463 PolarHBondContact NH1-OE2 2.99Å; I451-E463 WeakPolarHBondContact O-CA 3.37Å; Y452-E463 HydrophobicContact CD1-CB 3.81Å; Y452-E463 HydrophobicContact CD1-CG 4.05Å; Y452-E463 HydrophobicContact CE1-CB 3.64Å; Y452-E463 HydrophobicContact CE1-CG 3.48Å; Y452-E463 VanDerWaalsContact CE1-CG 3.48Å; Y452-E463 VanDerWaalsContact CE1-OE1 3.26Å; Y452-E463 WeakPolarHBondContact CE1-OE1 2.96Å; Y452-E463 VanDerWaalsContact CZ-OE1 3.27Å; Y452-E463 PolarHBondContact OH-OE1 2.86Å; E463-I465 HydrophobicContact CG-CD1 4.35Å; E463-I465 HydrophobicContact CG-CG1 3.9Å
464	I	94.9	Very high	92.3	Very high	2 Å²	2	34 Å²	34	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.8	170.8	-41.1	175.1	0	0	0	107.9	V390 F392 L431 I433 R450 I451 T453 I459 F466	V390-I464 HydrophobicContact CG1-CG2 4.1Å; F392-I464 HydrophobicContact CD1-CB 4.45Å; F392-I464 HydrophobicContact CD1-CG1 4.02Å; F392-I464 HydrophobicContact CD1-CG2 3.94Å; F392-I464 HydrophobicContact CE1-CD1 4.13Å; F392-I464 HydrophobicContact CE1-CG1 4.08Å; F392-I464 HydrophobicContact CE1-CG2 3.74Å; F392-I464 HydrophobicContact CZ-CG2 4.4Å; L431-I464 HydrophobicContact CD2-CD1 4.46Å; I433-I464 HydrophobicContact CD1-CD1 3.43Å; I433-I464 VanDerWaalsContact CD1-CD1 3.43Å; R450-I464 CarbonylContact C-O 3.56Å; R450-I464 WeakPolarHBondContact CA-O 3.35Å; I451-I464 HydrophobicContact CB-CB 4.44Å; I451-I464 PolarHBondContact N-O 3.34Å; I451-I464 PolarHBondContact O-N 3.23Å; T453-I464 HydrophobicContact CG2-CD1 4.01Å; T453-I464 HydrophobicContact CG2-CG1 4.49Å; I459-I464 HydrophobicContact CD1-CD1 3.89Å; I459-I464 HydrophobicContact CD1-CG1 4.18Å; I464-F466 HydrophobicContact CB-CE2 4.04Å; I464-F466 HydrophobicContact CB-CZ 4.17Å; I464-F466 HydrophobicContact CG2-CD2 4.48Å; I464-F466 HydrophobicContact CG2-CE1 3.94Å; I464-F466 HydrophobicContact CG2-CE2 3.69Å; I464-F466 HydrophobicContact CG2-CZ 3.4Å
465	I	95.6	Very high	92.4	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.7	179	-53.9	-177.6	0	0	0	108.7	V390 H391 K393 Q448 R450 E463	V390-I465 WeakPolarHBondContact CA-O 3.46Å; H391-I465 HydrophobicContact CB-CB 4.38Å; H391-I465 PolarHBondContact N-O 3.49Å; H391-I465 PolarHBondContact O-N 2.87Å; K393-I465 HydrophobicContact CD-CD1 3.9Å; Q448-I465 HydrophobicContact CB-CG2 4.16Å; Q448-I465 HydrophobicContact CG-CG2 4.04Å; R450-I465 HydrophobicContact CG-CB 4.48Å; R450-I465 HydrophobicContact CG-CG1 4.1Å; R450-I465 HydrophobicContact CG-CG2 4.25Å; E463-I465 HydrophobicContact CG-CD1 4.35Å; E463-I465 HydrophobicContact CG-CG1 3.9Å
466	F	96.4	Very high	92.5	Very high	5 Å²	5	30.1 Å²	30.1	2%	0.022	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.3	171.7	-54.7	-79.5	0	0	0	108.5	V388 V390 L412 L421 Q448 F449 I451 I464	V388-F466 HydrophobicContact CB-CB 4.25Å; V388-F466 HydrophobicContact CB-CD1 4.25Å; V388-F466 HydrophobicContact CG1-CB 4.11Å; V388-F466 HydrophobicContact CG2-CD1 3.91Å; V390-F466 HydrophobicContact CG1-CD1 4.38Å; V390-F466 HydrophobicContact CG1-CE1 4.13Å; V390-F466 HydrophobicContact CG2-CD1 4.12Å; V390-F466 HydrophobicContact CG2-CE1 4.23Å; L412-F466 HydrophobicContact CD1-CE1 4.19Å; L412-F466 HydrophobicContact CD1-CZ 4.21Å; L412-F466 HydrophobicContact CD2-CD1 4.37Å; L412-F466 HydrophobicContact CD2-CG 4.29Å; L421-F466 HydrophobicContact CD1-CE1 3.84Å; Q448-F466 WeakPolarHBondContact CA-O 3.42Å; F449-F466 HydrophobicContact CB-CB 4.45Å; F449-F466 AromaticContact CD1-CD2 3.87Å; F449-F466 HydrophobicContact CD1-CD2 3.87Å; F449-F466 HydrophobicContact CE1-CD2 4.46Å; F449-F466 PolarHBondContact N-O 2.92Å; F449-F466 PolarHBondContact O-N 2.89Å; I451-F466 HydrophobicContact CB-CE2 4.41Å; I451-F466 HydrophobicContact CD1-CD2 4.45Å; I451-F466 HydrophobicContact CD1-CE2 3.57Å; I451-F466 HydrophobicContact CD1-CZ 4.28Å; I451-F466 HydrophobicContact CG1-CD2 4.46Å; I451-F466 HydrophobicContact CG1-CE2 3.86Å; I464-F466 HydrophobicContact CB-CE2 4.04Å; I464-F466 HydrophobicContact CB-CZ 4.17Å; I464-F466 HydrophobicContact CG2-CD2 4.48Å; I464-F466 HydrophobicContact CG2-CE1 3.94Å; I464-F466 HydrophobicContact CG2-CE2 3.69Å; I464-F466 HydrophobicContact CG2-CZ 3.4Å
467	Q	95.8	Very high	92.8	Very high	62 Å²	62	26.6 Å²	26.6	29%	0.29	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.6	169.3	-174.4	67.2	61.2	0	0	108.6	H389 D446 G447 Q448	H389-Q467 HydrophobicContact CB-CB 4.23Å; H389-Q467 PolarHBondContact N-O 3.14Å; H389-Q467 PolarHBondContact O-N 2.94Å; D446-Q467 PolarHBondContact O-NE2 3.31Å; G447-Q467 PolarHBondContact O-NE2 3.12Å; Q448-Q467 VanDerWaalsContact NE2-OE1 3.1Å
468	L	94.1	Very high	93	Very high	8 Å²	8	28.4 Å²	28.4	4%	0.042	16%	0.162	C	C	.	.			trans	-102.5	174.6	172.5	-69.2	151.2	0	0	0	109.7	W386 V388 G447 F449 E473 A474 V477	W386-L468 HydrophobicContact CB-CD2 4.03Å; W386-L468 HydrophobicContact CG-CD2 4.37Å; V388-L468 HydrophobicContact CG1-CD2 3.49Å; V388-L468 VanDerWaalsContact CG1-CD2 3.49Å; V388-L468 HydrophobicContact CG1-CG 4Å; G447-L468 WeakPolarHBondContact O-CB 3.38Å; G447-L468 PolarHBondContact O-N 2.68Å; F449-L468 HydrophobicContact CB-CD1 3.95Å; L468-E473 HydrophobicContact CB-CB 4.4Å; L468-E473 HydrophobicContact CB-CG 4.48Å; L468-E473 HydrophobicContact CD2-CG 4.12Å; L468-A474 HydrophobicContact CD1-CB 4Å; L468-V477 HydrophobicContact CD1-CB 4Å; L468-V477 HydrophobicContact CD1-CG1 4.31Å; L468-V477 HydrophobicContact CD1-CG2 3.73Å; L468-V477 HydrophobicContact CD2-CG2 4.24Å
469	A	90.3	Very high	93.4	Very high	68 Å²	68	30.1 Å²	30.1	56%	0.562	16%	0.163	S	C	*	.	S	Bend	trans	-73.7	-34.1	-172.3	0	0	0	0	0	113.6	E473	A469-E473 WeakPolarHBondContact CB-OE2 3.47Å; A469-E473 PolarHBondContact N-OE2 2.95Å
470	D	90.6	Very high	93.6	Very high	32 Å²	32	30.3 Å²	30.3	17%	0.171	16%	0.163	C	C	.	.	S	Bend	trans	-145.9	174.1	172.5	83.9	-15	0	0	0	112.9	N218 T472 E473 A474	N218-D470 PolarHBondContact N-OD2 3Å; D470-T472 VanDerWaalsContact CG-OG1 3.31Å; D470-T472 PolarHBondContact O-N 3.18Å; D470-T472 WeakPolarHBondContact OD1-CA 3.4Å; D470-T472 WeakPolarHBondContact OD1-CB 3.48Å; D470-T472 PolarHBondContact OD1-N 3Å; D470-T472 PolarHBondContact OD1-OG1 3.03Å; D470-T472 VanDerWaalsContact OD2-CB 3.29Å; D470-T472 WeakPolarHBondContact OD2-CB 3.49Å; D470-T472 PolarHBondContact OD2-OG1 3.02Å; D470-E473 WeakPolarHBondContact OD1-CB 3.42Å; D470-E473 PolarHBondContact OD1-N 3.13Å; D470-A474 PolarHBondContact O-N 3.46Å
471	H	92.2	Very high	93.9	Very high	88 Å²	88	29.8 Å²	29.8	41%	0.407	16%	0.158	S	C	.	.	H	α-helix	trans	-66.4	-24.6	176.7	72.9	-78.4	0	0	0	113.3	V475	H471-V475 VanDerWaalsContact O-CG2 3.32Å; H471-V475 WeakPolarHBondContact O-CG2 3.26Å; H471-V475 PolarHBondContact O-N 2.62Å
472	T	92.4	Very high	94	Very high	35 Å²	35	31.1 Å²	31.1	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-67.1	-50.5	178.8	-37.6	0	0	0	0	109.9	N218 D470 A474 V475 Y476	N218-T472 PolarHBondContact N-OG1 3.39Å; D470-T472 VanDerWaalsContact CG-OG1 3.31Å; D470-T472 PolarHBondContact O-N 3.18Å; D470-T472 WeakPolarHBondContact OD1-CA 3.4Å; D470-T472 WeakPolarHBondContact OD1-CB 3.48Å; D470-T472 PolarHBondContact OD1-N 3Å; D470-T472 PolarHBondContact OD1-OG1 3.03Å; D470-T472 VanDerWaalsContact OD2-CB 3.29Å; D470-T472 WeakPolarHBondContact OD2-CB 3.49Å; D470-T472 PolarHBondContact OD2-OG1 3.02Å; T472-A474 VanDerWaalsContact C-N 3.31Å; T472-A474 PolarHBondContact O-N 2.83Å; T472-V475 PolarHBondContact O-N 2.77Å; T472-Y476 WeakPolarHBondContact O-CB 3.41Å; T472-Y476 PolarHBondContact O-N 3.14Å
473	E	91.3	Very high	94.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-38.9	176.6	-159.1	174	-169	0	0	110.5	Y216 R217 L468 A469 D470 Y476 V477	Y216-E473 PolarHBondContact O-N 2.88Å; R217-E473 IonicContact CZ-OE1 3.51Å; R217-E473 IonicContact CZ-OE2 3.41Å; R217-E473 VanDerWaalsContact CZ-OE2 3.24Å; R217-E473 IonicContact NE-OE1 2.74Å; R217-E473 IonicContact NE-OE2 3.8Å; R217-E473 PolarHBondContact NE-OE2 3.28Å; R217-E473 VanDerWaalsContact NH2-CD 3.34Å; R217-E473 IonicContact NH2-OE1 2.85Å; R217-E473 PolarHBondContact NH2-OE1 2.9Å; R217-E473 IonicContact NH2-OE2 2.75Å; R217-E473 PolarHBondContact NH2-OE2 3.02Å; L468-E473 HydrophobicContact CB-CB 4.4Å; L468-E473 HydrophobicContact CB-CG 4.48Å; L468-E473 HydrophobicContact CD2-CG 4.12Å; A469-E473 WeakPolarHBondContact CB-OE2 3.47Å; A469-E473 PolarHBondContact N-OE2 2.95Å; D470-E473 WeakPolarHBondContact OD1-CB 3.42Å; D470-E473 PolarHBondContact OD1-N 3.13Å; E473-Y476 PolarHBondContact O-N 3.37Å; E473-V477 WeakPolarHBondContact O-CB 3.44Å; E473-V477 VanDerWaalsContact O-CG2 3.22Å; E473-V477 WeakPolarHBondContact O-CG2 3.25Å; E473-V477 PolarHBondContact O-N 3.45Å
474	A	94.4	Very high	94.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-36.2	175.3	0	0	0	0	0	114.5	S443 L468 D470 T472 H478	S443-A474 WeakPolarHBondContact CB-O 3.44Å; L468-A474 HydrophobicContact CD1-CB 4Å; D470-A474 PolarHBondContact O-N 3.46Å; T472-A474 VanDerWaalsContact C-N 3.31Å; T472-A474 PolarHBondContact O-N 2.83Å; A474-H478 WeakPolarHBondContact O-CB 3.32Å; A474-H478 PolarHBondContact O-N 2.92Å
475	V	94.7	Very high	94.1	Very high	75 Å²	75	36.1 Å²	36.1	46%	0.455	19%	0.187	S	C	.	.	H	α-helix	trans	-71.5	-42.9	172.9	168.6	0	0	0	0	110.7	H471 T472 H478 E479	H471-V475 VanDerWaalsContact O-CG2 3.32Å; H471-V475 WeakPolarHBondContact O-CG2 3.26Å; H471-V475 PolarHBondContact O-N 2.62Å; T472-V475 PolarHBondContact O-N 2.77Å; V475-H478 WeakPolarHBondContact O-CB 3.42Å; V475-H478 PolarHBondContact O-N 2.84Å; V475-E479 PolarHBondContact O-N 2.92Å
476	Y	93.7	Very high	93.9	Very high	37 Å²	37	41.4 Å²	41.4	15%	0.145	21%	0.211	C	C	.	.	H	α-helix	trans	-63.7	-44.6	178.5	-177.1	-108.3	0	0	0	112.6	Y216 W386 T472 E473 H478 E479 Q480	Y216-Y476 AromaticContact CD2-CD1 3.68Å; Y216-Y476 HydrophobicContact CD2-CD1 3.68Å; Y216-Y476 HydrophobicContact CD2-CD2 4.06Å; Y216-Y476 AromaticContact CD2-CE1 3.48Å; Y216-Y476 HydrophobicContact CD2-CE1 3.48Å; Y216-Y476 VanDerWaalsContact CD2-CE1 3.48Å; Y216-Y476 AromaticContact CD2-CE2 3.88Å; Y216-Y476 HydrophobicContact CD2-CE2 3.88Å; Y216-Y476 AromaticContact CD2-CG 3.96Å; Y216-Y476 HydrophobicContact CD2-CG 3.96Å; Y216-Y476 AromaticContact CD2-CZ 3.59Å; Y216-Y476 HydrophobicContact CE2-CD1 4.34Å; Y216-Y476 HydrophobicContact CE2-CD2 4.41Å; Y216-Y476 AromaticContact CE2-CE1 3.69Å; Y216-Y476 HydrophobicContact CE2-CE1 3.69Å; Y216-Y476 AromaticContact CE2-CE2 3.78Å; Y216-Y476 HydrophobicContact CE2-CE2 3.78Å; Y216-Y476 AromaticContact CE2-CZ 3.38Å; Y216-Y476 HydrophobicContact CG-CD1 4.38Å; Y216-Y476 HydrophobicContact CG-CD2 4.32Å; Y216-Y476 HydrophobicContact CG-CE2 4.47Å; Y216-Y476 HydrophobicContact CG-CG 4.28Å; W386-Y476 AromaticContact CZ2-CD1 3.92Å; W386-Y476 HydrophobicContact CZ2-CD1 3.92Å; W386-Y476 AromaticContact CZ2-CE1 3.89Å; W386-Y476 HydrophobicContact CZ2-CE1 3.89Å; T472-Y476 WeakPolarHBondContact O-CB 3.41Å; T472-Y476 PolarHBondContact O-N 3.14Å; E473-Y476 PolarHBondContact O-N 3.37Å; Y476-H478 VanDerWaalsContact C-N 3.31Å; Y476-H478 PolarHBondContact O-N 2.91Å; Y476-E479 WeakPolarHBondContact O-CB 3.47Å; Y476-E479 PolarHBondContact O-N 2.88Å; Y476-Q480 HydrophobicContact CD1-CG 4.34Å; Y476-Q480 HydrophobicContact CD2-CG 4.45Å; Y476-Q480 HydrophobicContact CE1-CG 3.89Å; Y476-Q480 HydrophobicContact CE2-CG 4Å; Y476-Q480 VanDerWaalsContact CE2-NE2 3.32Å; Y476-Q480 WeakPolarHBondContact O-CG 3.21Å; Y476-Q480 PolarHBondContact O-N 2.77Å
477	V	95.2	Very high	93.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-46.5	172.7	167.5	0	0	0	0	110.7	W386 L412 F449 L468 E473 E479 Q480 F481	W386-V477 HydrophobicContact CD2-CG2 3.51Å; W386-V477 HydrophobicContact CE3-CG2 3.91Å; W386-V477 HydrophobicContact CG-CG2 3.92Å; W386-V477 HydrophobicContact CH2-CG2 4.04Å; W386-V477 HydrophobicContact CZ2-CG2 3.67Å; W386-V477 HydrophobicContact CZ3-CG2 4.15Å; L412-V477 HydrophobicContact CD2-CG1 4.18Å; F449-V477 HydrophobicContact CB-CG1 4.34Å; F449-V477 HydrophobicContact CD1-CG1 3.47Å; F449-V477 VanDerWaalsContact CD1-CG1 3.47Å; F449-V477 HydrophobicContact CD2-CG1 4.45Å; F449-V477 HydrophobicContact CE1-CG1 3.8Å; F449-V477 HydrophobicContact CG-CG1 3.83Å; F449-V477 HydrophobicContact CZ-CG1 4.43Å; L468-V477 HydrophobicContact CD1-CB 4Å; L468-V477 HydrophobicContact CD1-CG1 4.31Å; L468-V477 HydrophobicContact CD1-CG2 3.73Å; L468-V477 HydrophobicContact CD2-CG2 4.24Å; E473-V477 WeakPolarHBondContact O-CB 3.44Å; E473-V477 VanDerWaalsContact O-CG2 3.22Å; E473-V477 WeakPolarHBondContact O-CG2 3.25Å; E473-V477 PolarHBondContact O-N 3.45Å; V477-E479 VanDerWaalsContact C-N 3.34Å; V477-E479 PolarHBondContact O-N 3.06Å; V477-Q480 PolarHBondContact O-N 3.48Å; V477-F481 WeakPolarHBondContact O-CB 3.49Å; V477-F481 PolarHBondContact O-N 3.09Å
478	H	96.4	Very high	93	Very high	46 Å²	46	43.4 Å²	43.4	21%	0.213	22%	0.223	C	C	.	.	H	α-helix	trans	-63.2	-37.6	178.8	179.6	-152.6	0	0	0	112.6	C441 S443 F449 A474 V475 Y476 T482	C441-H478 PolarHBondContact O-NE2 2.86Å; C441-H478 PolarHBondContact SG-CD2 3.46Å; S443-H478 WeakPolarHBondContact CB-ND1 3.49Å; S443-H478 PolarHBondContact N-ND1 2.89Å; S443-H478 PolarHBondContact OG-ND1 3.22Å; F449-H478 HydrophobicContact CD2-CB 3.76Å; F449-H478 HydrophobicContact CE2-CB 3.68Å; F449-H478 AromaticContact CE2-CD2 3.76Å; F449-H478 AromaticContact CE2-CG 3.93Å; A474-H478 WeakPolarHBondContact O-CB 3.32Å; A474-H478 PolarHBondContact O-N 2.92Å; V475-H478 WeakPolarHBondContact O-CB 3.42Å; V475-H478 PolarHBondContact O-N 2.84Å; Y476-H478 VanDerWaalsContact C-N 3.31Å; Y476-H478 PolarHBondContact O-N 2.91Å; H478-T482 PolarHBondContact CD2-OG1 2.93Å; H478-T482 WeakPolarHBondContact O-CB 3.48Å; H478-T482 PolarHBondContact O-N 3.41Å; H478-T482 PolarHBondContact O-OG1 3.27Å
479	E	95.3	Very high	92.3	Very high	116 Å²	116	46.2 Å²	46.2	54%	0.542	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-54.1	174.4	-169.5	-157.6	132.6	0	0	111.6	V475 Y476 V477 F481 T482 R483	V475-E479 PolarHBondContact O-N 2.92Å; Y476-E479 WeakPolarHBondContact O-CB 3.47Å; Y476-E479 PolarHBondContact O-N 2.88Å; V477-E479 VanDerWaalsContact C-N 3.34Å; V477-E479 PolarHBondContact O-N 3.06Å; E479-F481 VanDerWaalsContact C-N 3.34Å; E479-F481 PolarHBondContact O-N 3.3Å; E479-T482 PolarHBondContact O-N 3.12Å; E479-R483 PolarHBondContact O-N 3.33Å
480	Q	94.7	Very high	91.3	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.037	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-42.1	-178.6	-57.1	-41.6	-68.7	0	0	111.1	F384 W386 Y476 V477 T482 R483 L484	F384-Q480 HydrophobicContact CD1-CG 4.35Å; F384-Q480 HydrophobicContact CD2-CB 4.36Å; F384-Q480 HydrophobicContact CE1-CB 4.44Å; F384-Q480 HydrophobicContact CE1-CG 3.89Å; F384-Q480 HydrophobicContact CE2-CB 4.09Å; F384-Q480 HydrophobicContact CE2-CG 4.38Å; F384-Q480 HydrophobicContact CZ-CB 4.13Å; F384-Q480 HydrophobicContact CZ-CG 3.9Å; W386-Q480 HydrophobicContact CH2-CB 4.21Å; W386-Q480 HydrophobicContact CH2-CG 4.4Å; Y476-Q480 HydrophobicContact CD1-CG 4.34Å; Y476-Q480 HydrophobicContact CD2-CG 4.45Å; Y476-Q480 HydrophobicContact CE1-CG 3.89Å; Y476-Q480 HydrophobicContact CE2-CG 4Å; Y476-Q480 VanDerWaalsContact CE2-NE2 3.32Å; Y476-Q480 WeakPolarHBondContact O-CG 3.21Å; Y476-Q480 PolarHBondContact O-N 2.77Å; V477-Q480 PolarHBondContact O-N 3.48Å; Q480-T482 PolarHBondContact O-N 3.22Å; Q480-R483 WeakPolarHBondContact O-CB 3.37Å; Q480-R483 PolarHBondContact O-N 2.86Å; Q480-L484 WeakPolarHBondContact O-CG 3.42Å; Q480-L484 PolarHBondContact O-N 3.46Å
481	F	96	Very high	89.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-45	174.9	-176.8	-83.7	0	0	0	112.4	L414 I419 Y435 V438 C441 F449 I451 V477 E479 R483 L484 M485	L414-F481 HydrophobicContact CD1-CB 4.07Å; L414-F481 HydrophobicContact CD1-CD2 4Å; L414-F481 HydrophobicContact CD2-CD2 3.89Å; L414-F481 HydrophobicContact CD2-CE2 4.31Å; I419-F481 HydrophobicContact CD1-CE2 3.46Å; I419-F481 VanDerWaalsContact CD1-CE2 3.46Å; I419-F481 HydrophobicContact CD1-CZ 3.62Å; I419-F481 HydrophobicContact CG1-CE2 3.72Å; I419-F481 HydrophobicContact CG1-CZ 4.33Å; Y435-F481 HydrophobicContact CD1-CE2 4.34Å; Y435-F481 HydrophobicContact CD1-CZ 4.26Å; Y435-F481 HydrophobicContact CE1-CD2 4.16Å; Y435-F481 AromaticContact CE1-CE2 3.95Å; Y435-F481 HydrophobicContact CE1-CE2 3.95Å; Y435-F481 HydrophobicContact CE1-CZ 4.31Å; V438-F481 HydrophobicContact CG1-CE1 4.23Å; V438-F481 HydrophobicContact CG1-CZ 4.26Å; V438-F481 HydrophobicContact CG2-CZ 4.2Å; C441-F481 HydrophobicContact CB-CD1 4.02Å; C441-F481 HydrophobicContact CB-CE1 3.72Å; F449-F481 HydrophobicContact CE1-CB 4.44Å; F449-F481 AromaticContact CE1-CD2 3.91Å; F449-F481 HydrophobicContact CE1-CD2 3.91Å; F449-F481 HydrophobicContact CE1-CE2 4.25Å; F449-F481 HydrophobicContact CE1-CG 4.08Å; F449-F481 HydrophobicContact CZ-CB 3.93Å; F449-F481 AromaticContact CZ-CD1 3.73Å; F449-F481 HydrophobicContact CZ-CD1 3.73Å; F449-F481 AromaticContact CZ-CD2 3.85Å; F449-F481 HydrophobicContact CZ-CD2 3.85Å; F449-F481 HydrophobicContact CZ-CE1 4.14Å; F449-F481 HydrophobicContact CZ-CE2 4.24Å; F449-F481 AromaticContact CZ-CG 3.57Å; F449-F481 HydrophobicContact CZ-CG 3.57Å; F449-F481 HydrophobicContact CZ-CZ 4.38Å; I451-F481 HydrophobicContact CD1-CD2 4.32Å; I451-F481 HydrophobicContact CD1-CE1 4.49Å; I451-F481 HydrophobicContact CD1-CE2 3.36Å; I451-F481 HydrophobicContact CD1-CZ 3.48Å; I451-F481 VanDerWaalsContact CD1-CZ 3.48Å; I451-F481 HydrophobicContact CG1-CE2 4.24Å; I451-F481 HydrophobicContact CG1-CZ 3.97Å; V477-F481 WeakPolarHBondContact O-CB 3.49Å; V477-F481 PolarHBondContact O-N 3.09Å; E479-F481 VanDerWaalsContact C-N 3.34Å; E479-F481 PolarHBondContact O-N 3.3Å; F481-R483 VanDerWaalsContact C-N 3.34Å; F481-R483 PolarHBondContact O-N 2.89Å; F481-L484 PolarHBondContact O-N 2.91Å; F481-M485 HydrophobicContact CD1-CE 4.11Å; F481-M485 HydrophobicContact CD1-CG 4.08Å; F481-M485 HydrophobicContact CD1-SD 4.21Å; F481-M485 HydrophobicContact CE1-CE 3.89Å; F481-M485 HydrophobicContact CE1-CG 3.77Å; F481-M485 HydrophobicContact CE1-SD 3.53Å; F481-M485 VanDerWaalsContact CE1-SD 3.53Å; F481-M485 HydrophobicContact CZ-CG 4.43Å; F481-M485 HydrophobicContact CZ-SD 4.33Å; F481-M485 PolarHBondContact O-N 2.89Å
482	T	94.7	Very high	87.8	Confident	38 Å²	38	52.6 Å²	52.6	23%	0.233	28%	0.278	C	S	.	.	H	α-helix	trans	-65.2	-40	178.4	-61.1	0	0	0	0	111	H478 E479 Q480 L484 M485 H486	H478-T482 PolarHBondContact CD2-OG1 2.93Å; H478-T482 WeakPolarHBondContact O-CB 3.48Å; H478-T482 PolarHBondContact O-N 3.41Å; H478-T482 PolarHBondContact O-OG1 3.27Å; E479-T482 PolarHBondContact O-N 3.12Å; Q480-T482 PolarHBondContact O-N 3.22Å; T482-L484 VanDerWaalsContact C-N 3.34Å; T482-L484 PolarHBondContact O-N 3Å; T482-M485 PolarHBondContact O-N 3.16Å; T482-H486 PolarHBondContact O-N 3.19Å; T482-H486 VanDerWaalsContact O-N 3.15Å; T482-H486 PolarHBondContact O-ND1 3Å
483	R	94.8	Very high	85.2	Confident	94 Å²	94	55.9 Å²	55.9	36%	0.355	30%	0.3	S	S	.	.	H	α-helix	trans	-58.3	-46.8	173.7	-165.7	-168.8	74.9	-147.9	-1.1	111.2	E383 E479 Q480 F481 H486 Q487	E383-R483 IonicContact OE2-NH2 3.65Å; E479-R483 PolarHBondContact O-N 3.33Å; Q480-R483 WeakPolarHBondContact O-CB 3.37Å; Q480-R483 PolarHBondContact O-N 2.86Å; F481-R483 VanDerWaalsContact C-N 3.34Å; F481-R483 PolarHBondContact O-N 2.89Å; R483-H486 PolarHBondContact O-N 3.48Å; R483-Q487 WeakPolarHBondContact O-CG 3.46Å; R483-Q487 PolarHBondContact O-N 2.88Å
484	L	94.5	Very high	82.7	Confident	1 Å²	1	60 Å²	60	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-67.3	-38.8	-179.5	-68.6	169.3	0	0	0	112.7	E383 F384 L414 Y435 Q480 F481 T482 H486 Q487 S488	E383-L484 WeakPolarHBondContact OE1-CD2 3.43Å; E383-L484 WeakPolarHBondContact OE2-CD2 3.39Å; F384-L484 HydrophobicContact CD2-CD1 4.05Å; F384-L484 HydrophobicContact CE2-CD1 4.17Å; L414-L484 HydrophobicContact CB-CD1 3.83Å; L414-L484 HydrophobicContact CD1-CD1 4.01Å; Y435-L484 HydrophobicContact CE1-CB 4.33Å; Y435-L484 HydrophobicContact CE2-CB 3.94Å; Q480-L484 WeakPolarHBondContact O-CG 3.42Å; Q480-L484 PolarHBondContact O-N 3.46Å; F481-L484 PolarHBondContact O-N 2.91Å; T482-L484 VanDerWaalsContact C-N 3.34Å; T482-L484 PolarHBondContact O-N 3Å; L484-H486 PolarHBondContact O-N 2.87Å; L484-Q487 PolarHBondContact O-N 3.16Å; L484-S488 WeakPolarHBondContact O-CB 3.44Å; L484-S488 PolarHBondContact O-N 2.95Å; L484-S488 PolarHBondContact O-OG 2.85Å
485	M	92.9	Very high	80	Confident	38 Å²	38	64.8 Å²	64.8	19%	0.187	36%	0.362	C	S	.	.	H	α-helix	trans	-55.8	-50.5	170.4	-74.1	-158.7	-60.1	0	0	111.7	Y435 V438 C441 F481 T482 S488 S489	Y435-M485 HydrophobicContact CD1-CG 3.64Å; Y435-M485 HydrophobicContact CE1-CG 4.41Å; Y435-M485 HydrophobicContact CG-CG 4.07Å; V438-M485 HydrophobicContact CB-SD 4.08Å; V438-M485 HydrophobicContact CG1-SD 3.84Å; C441-M485 VanDerWaalsContact SG-CE 3.51Å; F481-M485 HydrophobicContact CD1-CE 4.11Å; F481-M485 HydrophobicContact CD1-CG 4.08Å; F481-M485 HydrophobicContact CD1-SD 4.21Å; F481-M485 HydrophobicContact CE1-CE 3.89Å; F481-M485 HydrophobicContact CE1-CG 3.77Å; F481-M485 HydrophobicContact CE1-SD 3.53Å; F481-M485 VanDerWaalsContact CE1-SD 3.53Å; F481-M485 HydrophobicContact CZ-CG 4.43Å; F481-M485 HydrophobicContact CZ-SD 4.33Å; F481-M485 PolarHBondContact O-N 2.89Å; T482-M485 PolarHBondContact O-N 3.16Å; M485-S488 PolarHBondContact O-N 2.82Å; M485-S488 PolarHBondContact O-OG 2.95Å; M485-S489 PolarHBondContact O-N 2.99Å
486	H	91.8	Very high	77.2	Confident	117 Å²	117	69 Å²	69	54%	0.542	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-45.9	179.8	-72.3	85.8	0	0	0	111.7	T482 R483 L484 S488 S489 V490	T482-H486 PolarHBondContact O-N 3.19Å; T482-H486 VanDerWaalsContact O-N 3.15Å; T482-H486 PolarHBondContact O-ND1 3Å; R483-H486 PolarHBondContact O-N 3.48Å; L484-H486 PolarHBondContact O-N 2.87Å; H486-S488 VanDerWaalsContact C-N 3.31Å; H486-S488 PolarHBondContact O-N 3.2Å; H486-S489 PolarHBondContact O-N 3.13Å; H486-S489 PolarHBondContact O-OG 3.24Å; H486-V490 PolarHBondContact O-N 3.02Å; H486-V490 VanDerWaalsContact O-N 3.12Å
487	Q	89.4	Confident	74.5	Confident	84 Å²	84	71.8 Å²	71.8	39%	0.393	41%	0.407	S	S	.	.	H	α-helix	trans	-59	-41.3	175.9	-71.9	172.2	-47.3	0	0	111.9	R483 L484 S489 V490 N491	R483-Q487 WeakPolarHBondContact O-CG 3.46Å; R483-Q487 PolarHBondContact O-N 2.88Å; L484-Q487 PolarHBondContact O-N 3.16Å; Q487-S489 VanDerWaalsContact C-N 3.3Å; Q487-S489 PolarHBondContact O-N 3.03Å; Q487-V490 PolarHBondContact O-N 3.41Å; Q487-N491 WeakPolarHBondContact O-CB 3.2Å; Q487-N491 PolarHBondContact O-N 3.02Å; Q487-N491 PolarHBondContact O-ND2 3.33Å
488	S	84.4	Confident	71.6	Confident	26 Å²	26	75.8 Å²	75.8	18%	0.182	43%	0.434	C	S	.	.	H	α-helix	trans	-65.6	-28.3	178.2	79.7	0	0	0	0	114	Y435 L484 M485 H486	Y435-S488 WeakPolarHBondContact CB-OG 3.24Å; L484-S488 WeakPolarHBondContact O-CB 3.44Å; L484-S488 PolarHBondContact O-N 2.95Å; L484-S488 PolarHBondContact O-OG 2.85Å; M485-S488 PolarHBondContact O-N 2.82Å; M485-S488 PolarHBondContact O-OG 2.95Å; H486-S488 VanDerWaalsContact C-N 3.31Å; H486-S488 PolarHBondContact O-N 3.2Å
489	S	77.8	Confident	68.6	Low	66 Å²	66	79.1 Å²	79.1	46%	0.462	46%	0.463	S	S	.	.	H	α-helix	trans	-76.3	-44.1	173.8	67.6	0	0	0	0	112.4	M485 H486 Q487 N491 T492	M485-S489 PolarHBondContact O-N 2.99Å; H486-S489 PolarHBondContact O-N 3.13Å; H486-S489 PolarHBondContact O-OG 3.24Å; Q487-S489 VanDerWaalsContact C-N 3.3Å; Q487-S489 PolarHBondContact O-N 3.03Å; S489-N491 PolarHBondContact O-N 2.92Å; S489-T492 PolarHBondContact O-N 3.24Å; S489-T492 VanDerWaalsContact O-N 3.09Å; S489-T492 PolarHBondContact O-OG1 2.94Å
490	V	70.9	Confident	65.8	Low	110 Å²	110	79 Å²	79	67%	0.667	48%	0.475	S	S	*	.	H	α-helix	trans	-64.7	-30.7	177.6	175	0	0	0	0	111.7	H486 Q487 T492	H486-V490 PolarHBondContact O-N 3.02Å; H486-V490 VanDerWaalsContact O-N 3.12Å; Q487-V490 PolarHBondContact O-N 3.41Å; V490-T492 PolarHBondContact O-N 3.1Å
491	N	57	Low	63.3	Low	121 Å²	121	82.9 Å²	82.9	65%	0.647	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	1.6	175.7	-69.7	-18.1	0	0	0	114.3	Q487 S489	Q487-N491 WeakPolarHBondContact O-CB 3.2Å; Q487-N491 PolarHBondContact O-N 3.02Å; Q487-N491 PolarHBondContact O-ND2 3.33Å; S489-N491 PolarHBondContact O-N 2.92Å
492	T	52	Low	60.5	Low	92 Å²	92	88.6 Å²	88.6	56%	0.564	54%	0.543	S	S	*	.	S	Bend	trans	-71.2	130.5	160.6	60.6	0	0	0	0	108.5	S489 V490 S494	S489-T492 PolarHBondContact O-N 3.24Å; S489-T492 VanDerWaalsContact O-N 3.09Å; S489-T492 PolarHBondContact O-OG1 2.94Å; V490-T492 PolarHBondContact O-N 3.1Å; T492-S494 PolarHBondContact O-N 3.14Å
493	P	36.6	Very low	57.8	Low	103 Å²	103	91.7 Å²	91.7	67%	0.669	57%	0.566	S	S	*	*			trans	-67.6	101.4	-170	25	-33.9	0	0	0	111.1	S495	P493-S495 PolarHBondContact O-N 3.33Å
494	S	40.7	Very low	55.3	Low	89 Å²	89	95.7 Å²	95.7	62%	0.622	59%	0.594	S	S	*	*			trans	-64.4	1.6	166.8	54.5	0	0	0	0	112.8	T492 L496 S497	T492-S494 PolarHBondContact O-N 3.14Å; S494-L496 PolarHBondContact O-N 3.42Å; S494-S497 WeakPolarHBondContact O-CB 3.27Å; S494-S497 PolarHBondContact O-N 2.99Å; S494-S497 PolarHBondContact O-OG 2.6Å
495	S	36.2	Very low	52.9	Low	99 Å²	99	100.3 Å²	100.3	69%	0.692	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	17.5	174.7	67.5	0	0	0	0	115.3	P493	P493-S495 PolarHBondContact O-N 3.33Å
496	L	36.7	Very low	50.2	Low	165 Å²	165	101.7 Å²	101.7	86%	0.864	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-13.4	156.3	-87.7	167.8	0	0	0	112.9	S494 S498	S494-L496 PolarHBondContact O-N 3.42Å; L496-S498 PolarHBondContact O-N 2.98Å
497	S	36.2	Very low	47.6	Very low	95 Å²	95	106.8 Å²	106.8	66%	0.664	67%	0.666	S	S	*	*	S	Bend	trans	-73.6	67.3	152.9	73.6	0	0	0	0	108.8	S494	S494-S497 WeakPolarHBondContact O-CB 3.27Å; S494-S497 PolarHBondContact O-N 2.99Å; S494-S497 PolarHBondContact O-OG 2.6Å
498	S	35	Very low	45.3	Very low	83 Å²	83	110.9 Å²	110.9	58%	0.58	69%	0.69	S	S	*	*			trans	-59.3	141.8	164.1	52.3	0	0	0	0	108.8	L496 S500	L496-S498 PolarHBondContact O-N 2.98Å; S498-S500 PolarHBondContact O-N 2.82Å; S498-S500 PolarHBondContact O-OG 2.86Å
499	S	34.1	Very low	43.3	Very low	117 Å²	117	120.4 Å²	120.4	82%	0.818	72%	0.722	S	S	*	*			trans	-50.9	90.5	-179.4	49.3	0	0	0	0	112.6	S501	S499-S501 VanDerWaalsContact C-N 3.33Å
500	S	35.9	Very low	41.5	Very low	112 Å²	112	125.1 Å²	125.1	78%	0.783	73%	0.734	S	S	*	*			trans	-103.4	48.5	175	32.5	0	0	0	0	109.7	S498 S502	S498-S500 PolarHBondContact O-N 2.82Å; S498-S500 PolarHBondContact O-OG 2.86Å; S500-S502 PolarHBondContact O-N 2.89Å
501	S	40.9	Very low	39.7	Very low	90 Å²	90	124 Å²	124	63%	0.629	75%	0.746	S	S	*	*			trans	-62	101.5	169.1	48.9	0	0	0	0	110	S499 S503	S499-S501 VanDerWaalsContact C-N 3.33Å; S501-S503 PolarHBondContact O-N 2.9Å
502	S	37.8	Very low	38.9	Very low	120 Å²	120	128.3 Å²	128.3	84%	0.839	75%	0.754	S	S	*	*	S	Bend	trans	43.3	69.7	156.3	60.7	0	0	0	0	116.3	S500	S500-S502 PolarHBondContact O-N 2.89Å
503	S	38.1	Very low	38.3	Very low	103 Å²	103	127.7 Å²	127.7	72%	0.72	75%	0.754	S	S	*	*			trans	-134.9	84.6	170.4	-74	0	0	0	0	110.8	S501 S505	S501-S503 PolarHBondContact O-N 2.9Å; S503-S505 VanDerWaalsContact C-N 3.27Å; S503-S505 PolarHBondContact O-N 3.33Å
504	N	41.6	Very low	38.8	Very low	178 Å²	178	132.4 Å²	132.4	95%	0.952	77%	0.767	S	S	*	*			trans	-74.7	71.2	177.2	-91.1	-7.3	0	0	0	111.9
505	S	44.9	Very low	39.1	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	77%	0.773	S	S	*	*	S	Bend	trans	-163.5	142.9	166.1	56.1	0	0	0	0	114.2	S503	S503-S505 VanDerWaalsContact C-N 3.27Å; S503-S505 PolarHBondContact O-N 3.33Å
506	G	36	Very low	39.3	Very low	67 Å²	67	136.7 Å²	136.7	69%	0.691	78%	0.775	S	S	*	*			trans	104.1	-41	148.1	0	0	0	0	0	119.2	N508	G506-N508 PolarHBondContact O-N 3.1Å
507	W	38.5	Very low	40.1	Very low	225 Å²	225	136.6 Å²	136.6	85%	0.852	78%	0.775	S	S	*	*			trans	-82.4	35.2	-164.6	-74.2	96.6	0	0	0	117.1	F510	W507-F510 HydrophobicContact CZ3-CD2 4.24Å; W507-F510 HydrophobicContact CZ3-CE2 4.37Å
508	N	39.7	Very low	40.8	Very low	170 Å²	170	137.4 Å²	137.4	91%	0.909	78%	0.778	S	S	*	*			trans	-108.6	57.5	167.1	-83.7	-15.8	0	0	0	110.9	G506	G506-N508 PolarHBondContact O-N 3.1Å
509	R	42.7	Very low	41.7	Very low	225 Å²	225	139 Å²	139	85%	0.849	79%	0.786	S	S	*	*			trans	-143.5	17.6	177.8	-140.2	-179.3	-174.4	-119.5	0.1	117.4
510	F	40.9	Very low	42.7	Very low	165 Å²	165	141 Å²	141	72%	0.724	79%	0.786	S	S	*	*	S	Bend	trans	-126.2	104.9	164.5	-77.4	-77.1	0	0	0	109.8	W507 Y512	W507-F510 HydrophobicContact CZ3-CD2 4.24Å; W507-F510 HydrophobicContact CZ3-CE2 4.37Å; F510-Y512 PolarHBondContact O-N 3.26Å
511	G	32.2	Very low	43.3	Very low	88 Å²	88	141.4 Å²	141.4	91%	0.907	79%	0.787	S	S	*	*			trans	-80.8	75.7	-168.3	0	0	0	0	0	114.2
512	Y	41.3	Very low	43.9	Very low	211 Å²	211	147.7 Å²	147.7	83%	0.827	80%	0.797	S	S	*	*			trans	-93.2	114.8	164.8	-73.7	-77.2	0	0	0	110.3	F510	F510-Y512 PolarHBondContact O-N 3.26Å
513	S	39.3	Very low	44.4	Very low	79 Å²	79	148 Å²	148	55%	0.552	80%	0.796	S	S	*	*			trans	-69.1	144.4	178.9	54.2	0	0	0	0	111.8	N515	S513-N515 PolarHBondContact O-N 3.33Å
514	Q	46.2	Very low	44.8	Very low	201 Å²	201	150.4 Å²	150.4	94%	0.939	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	25	-171	-66	-176.8	-36.3	0	0	115.4
515	N	47.8	Very low	44.7	Very low	140 Å²	140	146.8 Å²	146.8	75%	0.749	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.4	-9.6	-173.4	-72.4	-36.3	0	0	0	115.1	S513	S513-N515 PolarHBondContact O-N 3.33Å
516	N	40.5	Very low	44.5	Very low	139 Å²	139	150.1 Å²	150.1	74%	0.743	80%	0.797	S	S	*	*			trans	-104.4	44	-166.9	-71.6	1.6	0	0	0	114.9
517	L	52.9	Low	44.5	Very low	163 Å²	163	151 Å²	151	85%	0.853	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-79.5	123	159.1	-83.7	170.1	0	0	0	108.7
518	P	50.9	Low	44.5	Very low	112 Å²	112	149 Å²	149	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-63.5	130.1	177.5	26.1	-33.2	0	0	0	109.4	L520	P518-L520 PolarHBondContact O-N 3.24Å
519	P	54.6	Low	44.1	Very low	116 Å²	116	147.2 Å²	147.2	75%	0.753	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-62.6	132.1	178.5	25.8	-33.4	0	0	0	109.6
520	L	54.5	Low	43.8	Very low	158 Å²	158	144 Å²	144	83%	0.827	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-52.1	136.8	171.5	-76.7	166.6	0	0	0	109.4	P518 R522	P518-L520 PolarHBondContact O-N 3.24Å; L520-R522 PolarHBondContact O-N 2.84Å
521	P	48.7	Very low	43.5	Very low	122 Å²	122	141.8 Å²	141.8	79%	0.792	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-53.1	116.3	178.9	-26.9	34.7	0	0	0	110.3
522	R	53.6	Low	43.6	Very low	221 Å²	221	145 Å²	145	83%	0.834	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-63.8	136.1	171.3	-62	-176.4	-174.5	-175.1	2.8	107	L520 I524	L520-R522 PolarHBondContact O-N 2.84Å; R522-I524 PolarHBondContact O-N 2.83Å; R522-I524 VanDerWaalsContact O-N 3.16Å
523	P	47.4	Very low	43.4	Very low	126 Å²	126	142.7 Å²	142.7	82%	0.818	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-56.5	126.5	171.6	24.9	-32.9	0	0	0	108	S525	P523-S525 PolarHBondContact O-N 2.9Å
524	I	47.6	Very low	43.2	Very low	155 Å²	155	144.8 Å²	144.8	80%	0.795	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-61.8	116	-178.5	-64.1	172.4	0	0	0	107.2	R522 L526	R522-I524 PolarHBondContact O-N 2.83Å; R522-I524 VanDerWaalsContact O-N 3.16Å; I524-L526 PolarHBondContact O-N 2.85Å
525	S	38.6	Very low	42.9	Very low	101 Å²	101	142.5 Å²	142.5	71%	0.706	79%	0.788	S	S	*	*			trans	-63	110.1	168.8	49.2	0	0	0	0	107.8	P523 S527	P523-S525 PolarHBondContact O-N 2.9Å; S525-S527 PolarHBondContact O-N 2.93Å
526	L	40.3	Very low	42.6	Very low	168 Å²	168	143.9 Å²	143.9	88%	0.88	79%	0.792	S	S	*	*			trans	-67.9	76.3	171.5	-78.2	160.4	0	0	0	109.5	I524	I524-L526 PolarHBondContact O-N 2.85Å
527	S	37.5	Very low	42.3	Very low	87 Å²	87	144.4 Å²	144.4	61%	0.608	80%	0.795	S	S	*	*			trans	-58.5	134.6	160.8	49.5	0	0	0	0	108.4	S525 N529	S525-S527 PolarHBondContact O-N 2.93Å; S527-N529 PolarHBondContact O-N 2.85Å
528	Q	36.7	Very low	41.6	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	78%	0.78	S	S	*	*			trans	-68.8	95.7	-172.4	-67.3	161	-51.3	0	0	110.6	N530	Q528-N530 PolarHBondContact O-N 3.44Å
529	N	31.9	Very low	41.2	Very low	131 Å²	131	143.7 Å²	143.7	70%	0.701	79%	0.786	S	S	*	*			trans	-74.2	65.6	171.5	-76.7	1.8	0	0	0	110.8	S527 T531	S527-N529 PolarHBondContact O-N 2.85Å; N529-T531 PolarHBondContact O-N 2.82Å
530	N	37.5	Very low	40.4	Very low	157 Å²	157	142.1 Å²	142.1	84%	0.84	78%	0.776	S	S	*	*			trans	-74.7	75.5	159.8	-84.3	9.3	0	0	0	108.3	Q528 L532	Q528-N530 PolarHBondContact O-N 3.44Å; N530-L532 PolarHBondContact O-N 3.06Å; N530-L532 VanDerWaalsContact O-N 3.13Å
531	T	34.2	Very low	39.6	Very low	119 Å²	119	140.2 Å²	140.2	73%	0.73	77%	0.766	S	S	*	*			trans	-72.8	98.4	174.7	46.9	0	0	0	0	110.5	N529	N529-T531 PolarHBondContact O-N 2.82Å
532	L	34.7	Very low	39	Very low	156 Å²	156	144.5 Å²	144.5	82%	0.817	77%	0.772	S	S	*	*			trans	-162.5	138.7	155.6	-104	161.3	0	0	0	109.5	N530	N530-L532 PolarHBondContact O-N 3.06Å; N530-L532 VanDerWaalsContact O-N 3.13Å
533	L	35.8	Very low	38	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	77%	0.774	S	S	*	*			trans	59.5	85.4	177.4	-71.7	78	0	0	0	117.2
534	S	35.3	Very low	37.5	Very low	124 Å²	124	147.2 Å²	147.2	87%	0.867	78%	0.778	S	S	*	*			trans	-143.2	91.5	145	66	0	0	0	0	110.1
535	N	39.5	Very low	37.3	Very low	152 Å²	152	145.7 Å²	145.7	81%	0.813	78%	0.776	S	S	*	*			trans	-88.3	169.4	167.2	-152.4	-0.8	0	0	0	109.4
536	M	41.2	Very low	37.1	Very low	169 Å²	169	152.7 Å²	152.7	83%	0.833	79%	0.787	S	S	*	*			trans	73.8	72.1	-175.5	-52.3	-57.8	-168.5	0	0	116.5
537	N	35.7	Very low	37	Very low	151 Å²	151	150.7 Å²	150.7	81%	0.807	79%	0.787	S	S	*	*			trans	-69.2	159.9	134.1	-144	12.6	0	0	0	107.4
538	S	36.8	Very low	37.2	Very low	77 Å²	77	156.4 Å²	156.4	54%	0.538	80%	0.801	S	S	.	*			cis	-167.7	141.3	10.1	0.3	0	0	0	0	109
539	Q	42.4	Very low	37.4	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	80%	0.798	S	S	*	*			trans	-157.4	142.3	139.7	-85.7	-41.8	-53.6	0	0	110.4
540	P	38	Very low	37.8	Very low	83 Å²	83	155 Å²	155	54%	0.539	81%	0.805	S	S	.	*			trans	-104.5	148.4	-166.3	38	-33.5	0	0	0	116.4
541	I	37.5	Very low	37.8	Very low	118 Å²	118	151.3 Å²	151.3	61%	0.605	79%	0.791	S	S	*	*			trans	47.7	103.6	141.4	-50.5	165.6	0	0	0	117.9	R543	I541-R543 HydrophobicContact CG2-CB 4.44Å
542	K	36.8	Very low	38	Very low	213 Å²	213	152 Å²	152	93%	0.926	79%	0.79	S	S	*	*			trans	-128.3	104	135	-80.4	-168.5	178.1	174.5	0	111.1
543	R	32.9	Very low	38.5	Very low	233 Å²	233	151 Å²	151	88%	0.879	78%	0.784	S	S	*	*			trans	-89.1	98.8	-177.8	179.3	-175.5	-174.9	172.6	2.6	110	I541	I541-R543 HydrophobicContact CG2-CB 4.44Å
544	L	37.5	Very low	38.9	Very low	171 Å²	171	149.4 Å²	149.4	90%	0.895	78%	0.776	S	S	*	*			trans	-130.9	142.6	169.7	-149	74.5	0	0	0	112.3
545	T	41.8	Very low	39.3	Very low	123 Å²	123	150 Å²	150	76%	0.755	77%	0.77	S	S	*	*			trans	-93.5	124.7	-169.8	45.5	0	0	0	0	113
546	R	35	Very low	39.6	Very low	248 Å²	248	149.6 Å²	149.6	94%	0.936	77%	0.768	S	S	*	*			trans	29.7	92.6	140.6	-171.4	-168.2	-174.6	-168.3	3.2	116.4
547	S	38.7	Very low	39.7	Very low	125 Å²	125	147 Å²	147	87%	0.874	76%	0.757	S	S	*	*			trans	-139.3	154.2	156	-83.3	0	0	0	0	110.1
548	K	41.8	Very low	40.1	Very low	208 Å²	208	146.9 Å²	146.9	90%	0.904	76%	0.757	S	S	*	*			trans	-97.9	137	-175.9	-51.3	168	-179.7	175.8	0	110.6
549	S	40.1	Very low	40.3	Very low	114 Å²	114	149.5 Å²	149.5	80%	0.797	76%	0.764	S	S	*	*			trans	-176.5	146.9	133	52.5	0	0	0	0	112.4
550	M	40.8	Very low	40.3	Very low	171 Å²	171	147.1 Å²	147.1	84%	0.842	76%	0.763	S	S	*	*			trans	-7.9	155	142.5	-70.7	165.5	67.8	0	0	118.7
551	S	36.6	Very low	40.3	Very low	79 Å²	79	149 Å²	149	55%	0.552	77%	0.773	S	S	*	*			cis	170.1	168.3	-18.5	50.7	0	0	0	0	107.6
552	N	39.7	Very low	40.6	Very low	133 Å²	133	149 Å²	149	71%	0.711	78%	0.778	S	S	*	*			trans	77.2	128.6	161.6	-65.8	14.3	0	0	0	116.6
553	I	45	Very low	40.7	Very low	135 Å²	135	144.6 Å²	144.6	69%	0.692	77%	0.77	S	S	*	*				87.7	124	106.7	-73.1	178.8	0	0	0	111.9
554	D	43.8	Very low	41.3	Very low	128 Å²	128	139 Å²	139	68%	0.684	76%	0.761	S	S	*	*			cis	-151.4	169.2	2.1	-96.4	-13.3	0	0	0	112.1
555	D	43.9	Very low	41.4	Very low	138 Å²	138	136.9 Å²	136.9	74%	0.738	76%	0.756	S	S	*	*			trans	9.2	138.2	149	-59.1	-17.5	0	0	0	119.8
556	N	45.1	Very low	41.9	Very low	143 Å²	143	136.2 Å²	136.2	77%	0.765	75%	0.752	S	S	*	*				-163.2	130.4	67.2	-128.2	-51.6	0	0	0	116.2
557	N	43.9	Very low	42.3	Very low	113 Å²	113	130.6 Å²	130.6	60%	0.604	75%	0.745	S	S	*	*			trans	12.6	120.9	137.4	-166	21.4	0	0	0	120.6
558	N	44.2	Very low	42.7	Very low	150 Å²	150	130.1 Å²	130.1	80%	0.802	74%	0.737	S	S	*	*				-163.8	150.6	114.8	-111.5	-44.1	0	0	0	114.2
559	N	40.7	Very low	43	Very low	131 Å²	131	126.3 Å²	126.3	70%	0.701	73%	0.732	S	S	*	*			trans	-81.2	140	-178.3	-63.6	-65	0	0	0	113.2
560	T	42.8	Very low	43.4	Very low	133 Å²	133	126.3 Å²	126.3	82%	0.816	73%	0.727	S	S	*	*			trans	-147	126.2	135.4	-55.5	0	0	0	0	109.1
561	T	36.8	Very low	43.4	Very low	121 Å²	121	124 Å²	124	74%	0.742	72%	0.722	S	S	*	*			trans	-103.8	122.2	-178.3	-49.8	0	0	0	0	110.7
562	T	43.8	Very low	43.9	Very low	118 Å²	118	125.9 Å²	125.9	72%	0.724	73%	0.731	S	S	*	*			trans	-133.9	101.4	174.1	-44.5	0	0	0	0	110.3
563	T	40.6	Very low	44	Very low	122 Å²	122	125.2 Å²	125.2	75%	0.748	73%	0.732	S	S	*	*			trans	-76.1	129.2	-176.7	-48.3	0	0	0	0	111.6
564	T	44.6	Very low	44.2	Very low	115 Å²	115	124.4 Å²	124.4	71%	0.706	73%	0.733	S	S	*	*			trans	-116.1	98.6	176	-57.1	0	0	0	0	110.6	T566	T564-T566 PolarHBondContact O-N 2.98Å
565	T	40	Very low	44.2	Very low	127 Å²	127	125 Å²	125	78%	0.779	74%	0.737	S	S	*	*			trans	-69.6	119.7	179.3	-47.1	0	0	0	0	110.9
566	T	51.6	Low	44.2	Very low	109 Å²	109	124.7 Å²	124.7	67%	0.669	74%	0.739	S	S	*	*			trans	-119.2	103.1	179	-55.7	0	0	0	0	110.7	T564 T568	T564-T566 PolarHBondContact O-N 2.98Å; T566-T568 PolarHBondContact O-N 2.77Å
567	T	44.8	Very low	44.2	Very low	130 Å²	130	123.6 Å²	123.6	80%	0.798	74%	0.738	S	S	*	*			trans	-66.8	121.4	-178.8	-45.8	0	0	0	0	111.2
568	T	46.8	Very low	44.2	Very low	114 Å²	114	124.2 Å²	124.2	70%	0.699	75%	0.746	S	S	*	*			trans	-107.4	109.8	-179.5	-59	0	0	0	0	110.7	T566 T570	T566-T568 PolarHBondContact O-N 2.77Å; T568-T570 PolarHBondContact O-N 2.96Å
569	T	46.7	Very low	44.2	Very low	129 Å²	129	123 Å²	123	79%	0.791	74%	0.744	S	S	*	*			trans	-75.9	113.7	177.6	-50.2	0	0	0	0	110.8
570	T	49	Very low	44.5	Very low	114 Å²	114	122.7 Å²	122.7	70%	0.699	75%	0.747	S	S	*	*			trans	-93.2	117.3	178.1	-61.7	0	0	0	0	111.2	T568 T572	T568-T570 PolarHBondContact O-N 2.96Å; T570-T572 PolarHBondContact O-N 3.38Å
571	T	42	Very low	44.8	Very low	121 Å²	121	123.1 Å²	123.1	74%	0.742	75%	0.75	S	S	*	*			trans	-88.1	98.5	175.9	-49.3	0	0	0	0	111	T573	T571-T573 PolarHBondContact O-N 3.46Å
572	T	45.5	Very low	45.2	Very low	119 Å²	119	123.2 Å²	123.2	73%	0.73	75%	0.75	S	S	*	*			trans	-62	122.9	179	-51.1	0	0	0	0	111.9	T570	T570-T572 PolarHBondContact O-N 3.38Å
573	T	43.4	Very low	45.5	Very low	120 Å²	120	125.2 Å²	125.2	74%	0.736	76%	0.757	S	S	*	*			trans	-106.3	110.3	171.3	-55.5	0	0	0	0	109.4	T571 N575	T571-T573 PolarHBondContact O-N 3.46Å; T573-N575 PolarHBondContact O-N 2.77Å
574	T	49.2	Very low	45.6	Very low	117 Å²	117	126 Å²	126	72%	0.718	76%	0.757	S	S	*	*			trans	-76.8	109.3	-171.6	-49	0	0	0	0	112.2	T576	T574-T576 PolarHBondContact O-N 3.47Å
575	N	42.6	Very low	46.3	Very low	142 Å²	142	128 Å²	128	76%	0.759	76%	0.763	S	S	*	*			trans	-79.2	108	169.1	-78.7	-27.1	0	0	0	110.4	T573 T577	T573-N575 PolarHBondContact O-N 2.77Å; N575-T577 PolarHBondContact O-N 3.22Å; N575-T577 VanDerWaalsContact O-N 3.13Å
576	T	44.2	Very low	46.8	Very low	130 Å²	130	127.6 Å²	127.6	80%	0.798	76%	0.756	S	S	*	*			trans	-70.4	104.7	173.3	-52.1	0	0	0	0	110.6	T574	T574-T576 PolarHBondContact O-N 3.47Å
577	T	44.4	Very low	47.2	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	76%	0.763	S	S	*	*			trans	-90.7	112.2	175.6	-58.1	0	0	0	0	110.3	N575 T579	N575-T577 PolarHBondContact O-N 3.22Å; N575-T577 VanDerWaalsContact O-N 3.13Å; T577-T579 PolarHBondContact O-N 3.18Å
578	T	44.4	Very low	47.6	Very low	125 Å²	125	129 Å²	129	77%	0.767	75%	0.754	S	S	*	*			trans	-76.1	118.7	174.4	-51.3	0	0	0	0	110.5	T580	T578-T580 PolarHBondContact O-N 3.24Å
579	T	44.9	Very low	48.2	Very low	124 Å²	124	129.9 Å²	129.9	76%	0.761	76%	0.755	S	S	*	*			trans	-76.4	117.6	-178.6	29.1	0	0	0	0	112.9	T577	T577-T579 PolarHBondContact O-N 3.18Å
580	T	46	Very low	48.4	Very low	125 Å²	125	129.2 Å²	129.2	77%	0.767	75%	0.746	S	S	*	*			trans	-93	111.8	161.1	44.6	0	0	0	0	109.9	T578 T582	T578-T580 PolarHBondContact O-N 3.24Å; T580-T582 PolarHBondContact O-N 2.92Å
581	T	49.9	Very low	48.5	Very low	143 Å²	143	129.8 Å²	129.8	88%	0.877	75%	0.745	S	S	*	*			trans	-75.1	109.2	177.3	37	0	0	0	0	111.1
582	T	45.5	Very low	48.8	Very low	122 Å²	122	129.7 Å²	129.7	75%	0.748	74%	0.74	S	S	*	*			trans	-119.2	109.9	172.9	-39.2	0	0	0	0	108.9	T580 N584	T580-T582 PolarHBondContact O-N 2.92Å; T582-N584 PolarHBondContact O-N 3.25Å
583	N	49.2	Very low	48.6	Very low	161 Å²	161	131.1 Å²	131.1	86%	0.861	74%	0.743	S	S	*	*			trans	-73.9	117.3	179.1	-175.8	7.6	0	0	0	109.8
584	N	44.3	Very low	48.6	Very low	139 Å²	139	128.5 Å²	128.5	74%	0.743	74%	0.741	S	S	*	*			trans	-116.6	114	176.8	-179.5	18.4	0	0	0	108.8	T582	T582-N584 PolarHBondContact O-N 3.25Å
585	N	58.1	Low	48.3	Very low	155 Å²	155	128.2 Å²	128.2	83%	0.829	74%	0.743	S	S	*	*			trans	-109.2	127.7	164.4	-166.8	15.5	0	0	0	109.8
586	N	51.3	Low	48.6	Very low	120 Å²	120	129.5 Å²	129.5	64%	0.642	75%	0.747	S	S	*	*			trans	-93.8	128.3	-170.8	166.4	38.8	0	0	0	110.5
587	N	59.3	Low	48.9	Very low	152 Å²	152	129.3 Å²	129.3	81%	0.813	74%	0.741	S	S	*	*				-148.8	135.6	127.5	-150.8	5.2	0	0	0	114.1
588	N	54.1	Low	49	Very low	115 Å²	115	128.6 Å²	128.6	62%	0.615	73%	0.732	S	S	*	*			trans	-71.6	146.5	169.6	168.8	47.7	0	0	0	111.4
589	N	57.6	Low	49.1	Very low	133 Å²	133	131.6 Å²	131.6	71%	0.711	74%	0.735	S	S	*	*				179.3	99.4	118.1	-162.3	34.8	0	0	0	114.2
590	N	52.5	Low	49	Very low	115 Å²	115	128.9 Å²	128.9	62%	0.615	73%	0.731	S	S	*	*			trans	45.3	139.4	130.5	-154.5	19.9	0	0	0	124.6
591	N	51.2	Low	48.9	Very low	126 Å²	126	130.9 Å²	130.9	67%	0.674	74%	0.737	S	S	*	*			trans	71.3	103.4	146.1	-96.5	-7.1	0	0	0	123.9
592	N	46.8	Very low	48.7	Very low	119 Å²	119	127.7 Å²	127.7	64%	0.636	73%	0.726	S	S	*	*				75.9	141.4	101.1	-159.7	26.6	0	0	0	121.9
593	N	42.6	Very low	48.6	Very low	149 Å²	149	127.2 Å²	127.2	80%	0.797	73%	0.727	S	S	*	*			trans	42.2	128.3	163.3	-71.9	-23.7	0	0	0	118.8
594	G	42.2	Very low	48.2	Very low	66 Å²	66	127.1 Å²	127.1	68%	0.68	72%	0.722	S	S	*	*			cis	143.6	-168.4	26.2	0	0	0	0	0	108.7
595	S	43.5	Very low	48	Very low	110 Å²	110	129.8 Å²	129.8	77%	0.769	72%	0.722	S	S	*	*			trans	67.1	132.8	-176.3	-81.1	0	0	0	0	114.9
596	M	48	Very low	47.1	Very low	170 Å²	170	128.6 Å²	128.6	84%	0.837	72%	0.716	S	S	*	*				66.9	135	70.8	-63.7	-172.2	-167.6	0	0	112.3
597	D	50.6	Low	46.4	Very low	125 Å²	125	131.2 Å²	131.2	67%	0.668	72%	0.722	S	S	*	*			cis	-160.4	162	11.1	-145.5	6.1	0	0	0	116.8
598	N	48.2	Very low	45.3	Very low	106 Å²	106	131.2 Å²	131.2	57%	0.567	72%	0.722	S	S	*	*			trans	49.5	140.2	140	-98.5	-51.9	0	0	0	126.2
599	K	45.4	Very low	44.6	Very low	189 Å²	189	132.6 Å²	132.6	82%	0.822	73%	0.729	S	S	*	*			trans	83.3	146.9	141.8	-69.3	158.7	-169.4	166.8	0	121.9
600	G	42.4	Very low	43.6	Very low	66 Å²	66	132.9 Å²	132.9	68%	0.68	73%	0.729	S	S	*	*			trans	110.8	84	177.8	0	0	0	0	0	112.1
601	N	44.5	Very low	43.1	Very low	167 Å²	167	133.9 Å²	133.9	89%	0.893	73%	0.733	S	S	*	*				52.4	137.9	82.7	-68.7	-4.7	0	0	0	115.2
602	A	44.6	Very low	42.6	Very low	77 Å²	77	135.7 Å²	135.7	64%	0.636	74%	0.735	S	S	*	*			cis	-171.4	156.5	-19.1	0	0	0	0	0	108.5
603	S	43.5	Very low	42.5	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	75%	0.749	S	S	*	*			trans	65.6	166.5	167.2	87.3	0	0	0	0	115.5
604	Q	41.8	Very low	42.3	Very low	160 Å²	160	143.2 Å²	143.2	75%	0.748	75%	0.75	S	S	*	*			cis	-159.3	167	-27.2	-114.5	-178.6	14.6	0	0	109.1
605	Y	39.3	Very low	42.1	Very low	194 Å²	194	148.9 Å²	148.9	76%	0.761	76%	0.756	S	S	*	*			trans	17.9	117.1	160.2	-70	-86.8	0	0	0	120.4
606	N	39	Very low	41.9	Very low	131 Å²	131	149.9 Å²	149.9	70%	0.701	75%	0.753	S	S	*	*				102.1	152	68.6	-170.1	16.5	0	0	0	112.8
607	K	37.6	Very low	41.3	Very low	175 Å²	175	147.9 Å²	147.9	76%	0.761	75%	0.745	S	S	*	*			trans	72.9	100.4	173.7	-64.6	-175.5	177.4	178.2	0	119.4
608	N	35.8	Very low	40.7	Very low	152 Å²	152	152.5 Å²	152.5	81%	0.813	76%	0.755	S	S	*	*				34.8	100.8	126.4	-58.1	4.1	0	0	0	119.8
609	N	39.4	Very low	40.2	Very low	144 Å²	144	154 Å²	154	77%	0.77	76%	0.762	S	S	*	*			trans	-150.5	138.3	135.8	-90.8	-43.5	0	0	0	106.4
610	I	36.7	Very low	39.7	Very low	139 Å²	139	150.8 Å²	150.8	71%	0.713	76%	0.763	S	S	*	*				69.1	128.3	61	-65.6	178	0	0	0	112
611	I	42.6	Very low	39.4	Very low	136 Å²	136	153.7 Å²	153.7	70%	0.697	76%	0.759	S	S	*	*			trans	93.5	104.6	170.3	-71.3	157.2	0	0	0	120.1
612	K	40.5	Very low	39	Very low	164 Å²	164	152.4 Å²	152.4	71%	0.713	75%	0.752	S	S	*	*			trans	41.4	117	132.1	-47.9	169.2	-168.2	162.3	0	122.3
613	Y	44	Very low	38.5	Very low	237 Å²	237	156 Å²	156	93%	0.929	76%	0.755	S	S	*	*				-149	138.2	119	-72.6	-80.7	0	0	0	107.1
614	K	38.8	Very low	38	Very low	188 Å²	188	155.9 Å²	155.9	82%	0.817	76%	0.755	S	S	*	*			cis	102.3	130	3	-158	177.6	-178.4	-176	0	116.5
615	K	37.1	Very low	37.6	Very low	186 Å²	186	154.9 Å²	154.9	81%	0.809	75%	0.753	S	S	*	*			trans	78	137.5	-170.4	-63.6	-167.9	172.3	-178.8	0	114
616	N	39.3	Very low	37.2	Very low	131 Å²	131	156.4 Å²	156.4	70%	0.701	76%	0.759	S	S	*	*			cis	-140.6	129.4	-14.3	-93.1	-13.5	0	0	0	106.6
617	L	37	Very low	36.8	Very low	127 Å²	127	158.4 Å²	158.4	67%	0.665	76%	0.764	S	S	*	*				83.1	97.9	63.6	-168.7	144.7	0	0	0	113.1
618	Y	38.1	Very low	36.6	Very low	223 Å²	223	155.8 Å²	155.8	88%	0.875	77%	0.768	S	S	*	*				-149.6	144.6	123.8	-113.6	-79.9	0	0	0	109.7
619	L	37	Very low	36.5	Very low	138 Å²	138	158.3 Å²	158.3	72%	0.723	77%	0.773	S	S	*	*			trans	-84.3	152.5	-175.4	-97.9	60	0	0	0	110.8
620	S	35.5	Very low	36.4	Very low	120 Å²	120	156.5 Å²	156.5	84%	0.839	77%	0.768	S	S	*	*				-153.4	148.9	74.5	-165.7	0	0	0	0	114.5
621	Q	34.7	Very low	36.3	Very low	128 Å²	128	157.7 Å²	157.7	60%	0.598	78%	0.776	S	S	*	*			trans	-102.5	161.9	179.2	-64.8	179	-58.9	0	0	109.7
622	N	36.1	Very low	35.7	Very low	139 Å²	139	157.9 Å²	157.9	74%	0.743	78%	0.777	S	S	*	*				-154.1	143.1	59.9	-72.4	-58	0	0	0	109.7
623	H	34	Very low	35.3	Very low	153 Å²	153	156.7 Å²	156.7	71%	0.708	78%	0.778	S	S	*	*				52.9	134.8	75	-72.2	-84.1	0	0	0	113.5
624	S	34.2	Very low	34.8	Very low	109 Å²	109	151.6 Å²	151.6	76%	0.762	77%	0.767	S	S	*	*			cis	-146.9	-177.5	17.6	61.3	0	0	0	0	115.1
625	L	32.1	Very low	34.4	Very low	138 Å²	138	150 Å²	150	72%	0.723	77%	0.767	S	S	*	*			trans	-59.4	159.7	-178.8	-61.3	148.6	0	0	0	114.3
626	Y	32.7	Very low	34.2	Very low	227 Å²	227	153.2 Å²	153.2	89%	0.89	77%	0.774	S	S	*	*				-166.7	158.9	101.2	-107.3	-74.3	0	0	0	113.5
627	Q	30.1	Very low	33.9	Very low	172 Å²	172	155.4 Å²	155.4	80%	0.804	78%	0.777	S	S	*	*			trans	-132.7	128.2	-170.1	167.2	-172.6	-2.7	0	0	108.7
628	S	33.4	Very low	33.9	Very low	121 Å²	121	156.6 Å²	156.6	85%	0.846	79%	0.785	S	S	*	*			trans	-164.4	151.7	166.3	-93.5	0	0	0	0	112.4
629	F	33.1	Very low	33.7	Very low	205 Å²	205	152.6 Å²	152.6	90%	0.899	78%	0.778	S	S	*	*			trans	-127.6	176.3	168.9	-100.7	-48.1	0	0	0	108.2
630	P	37.8	Very low	33.7	Very low	105 Å²	105	154.3 Å²	154.3	68%	0.682	79%	0.787	S	S	*	*			trans	-117	170.5	-148.4	42.5	-31.8	0	0	0	115
631	L	33.5	Very low	33.5	Very low	165 Å²	165	156.9 Å²	156.9	86%	0.864	79%	0.786	S	S	*	*			trans	-168.2	165.4	147.4	-86.2	130	0	0	0	106.3
632	L	31.2	Very low	33.6	Very low	139 Å²	139	159.4 Å²	159.4	73%	0.728	80%	0.803	S	S	*	*			cis	163.6	146.6	-31.4	-136.9	165.6	0	0	0	104.7
633	L	30.9	Very low	33.4	Very low	139 Å²	139	160.7 Å²	160.7	73%	0.728	80%	0.804	S	S	*	*			trans	89.8	132	166.2	-70.4	133.6	0	0	0	122.2
634	N	33.6	Very low	33.4	Very low	130 Å²	130	162.6 Å²	162.6	70%	0.695	81%	0.806	S	S	*	*			trans	72.7	92.1	143.1	-70.2	-4	0	0	0	123.4
635	N	30.5	Very low	33.7	Very low	154 Å²	154	163.1 Å²	163.1	82%	0.824	81%	0.807	S	S	*	*				21	125	114.5	-58.5	-0.1	0	0	0	119.5
636	R	34	Very low	33.7	Very low	254 Å²	254	162.2 Å²	162.2	96%	0.958	80%	0.803	S	S	*	*				-145	152.8	127.7	-109.8	-178.1	-177.2	-163.7	-1.1	110.2
637	K	33.3	Very low	33.8	Very low	177 Å²	177	160.7 Å²	160.7	77%	0.77	80%	0.804	S	S	*	*			trans	-77.8	160.5	172.3	-59.8	-178.9	177.4	-175.9	0	110.3
638	N	37.3	Very low	34	Very low	153 Å²	153	159.9 Å²	159.9	82%	0.818	80%	0.801	S	S	*	*				-166.5	160.4	106.1	-92.6	6.3	0	0	0	110.2
639	D	33.4	Very low	34	Very low	139 Å²	139	164 Å²	164	74%	0.743	80%	0.799	S	S	*	*			trans	-86.2	156.9	-165.4	-44.8	-92.7	0	0	0	113.2
640	L	37.2	Very low	33.8	Very low	173 Å²	173	158.7 Å²	158.7	91%	0.906	79%	0.786	S	S	*	*			trans	-157.6	148.1	146.4	-110.7	167.3	0	0	0	109.8
641	Q	31.3	Very low	33.7	Very low	175 Å²	175	163.1 Å²	163.1	82%	0.818	80%	0.795	S	S	*	*			trans	-95.6	152.2	-164.8	-61.6	160.7	-49.8	0	0	112.8
642	L	35.6	Very low	33.8	Very low	181 Å²	181	163.3 Å²	163.3	95%	0.948	79%	0.791	S	S	*	*			trans	-161.8	160.9	149.6	-109.9	148.1	0	0	0	110
643	E	32	Very low	33.8	Very low	165 Å²	165	163.1 Å²	163.1	77%	0.771	79%	0.791	S	S	*	*				-139.4	118	-130	-167	179.4	176.7	0	0	115
644	Y	34.3	Very low	34.2	Very low	193 Å²	193	164.6 Å²	164.6	76%	0.757	80%	0.798	S	S	*	*			trans	59.4	177.1	155.2	-81.8	-102.9	0	0	0	118.3
645	P	39.8	Very low	34.3	Very low	121 Å²	121	166.9 Å²	166.9	79%	0.786	80%	0.801	S	S	*	*			cis	-122.7	172.3	-5.2	20.3	3.9	0	0	0	117
646	N	32.7	Very low	34.3	Very low	119 Å²	119	164.7 Å²	164.7	64%	0.636	80%	0.798	S	S	*	*			trans	-58.5	155.8	177.3	-50.2	-44.7	0	0	0	115.4
647	Q	35.8	Very low	34.5	Very low	194 Å²	194	160 Å²	160	91%	0.907	79%	0.79	S	S	*	*			trans	-130.6	147.9	130.8	-76.4	-163.1	-8.4	0	0	110.1
648	Q	32.7	Very low	34.6	Very low	156 Å²	156	159.8 Å²	159.8	73%	0.729	79%	0.792	S	S	*	*			trans	-140.5	129.4	-165.8	179.7	-179.8	3.3	0	0	109.2
649	Y	33.6	Very low	34.4	Very low	208 Å²	208	159.5 Å²	159.5	82%	0.816	79%	0.791	S	S	*	*			trans	-124.8	104.6	174	-100.8	-82.2	0	0	0	110.6
650	C	30.3	Very low	34.7	Very low	92 Å²	92	160.1 Å²	160.1	62%	0.622	79%	0.794	S	S	*	*			trans	-105.3	148.7	158.8	-61.8	0	0	0	0	108
651	F	35.2	Very low	34.8	Very low	198 Å²	198	159.1 Å²	159.1	87%	0.868	78%	0.784	S	S	*	*			trans	-135.3	143.9	161.6	-117.6	-88.4	0	0	0	109.6
652	H	35.4	Very low	35.2	Very low	169 Å²	169	156.2 Å²	156.2	78%	0.782	78%	0.775	S	S	*	*			trans	-94.4	161.3	-157.7	-106.3	-77.2	0	0	0	114.9
653	D	30.9	Very low	35.3	Very low	135 Å²	135	155.8 Å²	155.8	72%	0.722	77%	0.765	S	S	*	*			trans	-54.1	150	161.7	-57.3	-93.2	0	0	0	113
654	I	39.1	Very low	35.7	Very low	171 Å²	171	155.7 Å²	155.7	88%	0.877	77%	0.768	S	S	*	*			trans	-129.4	126	152.2	-60.8	-179	0	0	0	108.2
655	K	35.2	Very low	35.9	Very low	177 Å²	177	153.1 Å²	153.1	77%	0.77	76%	0.761	S	S	*	*			trans	-112.7	142.3	169.9	-76.6	-179.9	177.6	171.7	0	109.9
656	S	32	Very low	35.8	Very low	108 Å²	108	154.2 Å²	154.2	76%	0.755	76%	0.755	S	S	*	*			trans	46.5	128.4	148.7	60.1	0	0	0	0	120.4
657	I	38.1	Very low	36.2	Very low	156 Å²	156	156.2 Å²	156.2	80%	0.8	76%	0.763	S	S	*	*			trans	-155.8	139.2	133	-105.7	149.9	0	0	0	111.1
658	Q	35.2	Very low	36.3	Very low	173 Å²	173	153 Å²	153	81%	0.808	75%	0.752	S	S	*	*			trans	14.9	146.1	167.1	-70.9	149	-101	0	0	124.6
659	N	33.7	Very low	36.5	Very low	146 Å²	146	152.1 Å²	152.1	78%	0.781	75%	0.752	S	S	*	*			trans	-71.9	164.4	156.4	-50.1	-52	0	0	0	111.1
660	D	39	Very low	36.5	Very low	152 Å²	152	149.7 Å²	149.7	81%	0.813	75%	0.753	S	S	*	*				-153.4	170.2	122.9	-130	-40.8	0	0	0	113.3
661	H	39.4	Very low	37	Very low	153 Å²	153	150.3 Å²	150.3	71%	0.708	76%	0.756	S	S	*	*			trans	-88.5	-173.8	-174.1	-58.2	-89.2	0	0	0	112.6
662	N	39.8	Very low	36.7	Very low	114 Å²	114	146.8 Å²	146.8	61%	0.61	75%	0.751	S	S	*	*			cis	-172.3	145.9	23.6	-141.2	-34.6	0	0	0	113.6
663	K	36.7	Very low	36.4	Very low	171 Å²	171	143 Å²	143	74%	0.743	74%	0.744	S	S	*	*			trans	61.5	164.9	163.3	-65.9	145.6	-174.7	174.6	0	115.8
664	I	40.4	Very low	36.5	Very low	163 Å²	163	145.3 Å²	145.3	84%	0.836	75%	0.75	S	S	*	*			cis	-144.9	163.8	24.4	-59.4	162.2	0	0	0	109
665	K	39.6	Very low	36	Very low	140 Å²	140	147 Å²	147	61%	0.609	75%	0.747	S	S	*	*			cis	177.9	116.7	-47.4	-174	-175.1	-169.6	-69.8	0	109.1
666	E	37.4	Very low	36	Very low	143 Å²	143	146.9 Å²	146.9	67%	0.668	75%	0.754	S	S	*	*			trans	66.2	161.8	166.9	-65.8	150.1	-172.8	0	0	116.8
667	M	40.2	Very low	35.8	Very low	161 Å²	161	148.1 Å²	148.1	79%	0.793	75%	0.747	S	S	*	*			cis	-139.7	144.1	15.9	-71.8	-177.3	179.6	0	0	115.3
668	N	37.4	Very low	35.6	Very low	128 Å²	128	149.5 Å²	149.5	68%	0.684	75%	0.753	S	S	*	*			trans	52.1	126.9	131.8	-62.4	-5.2	0	0	0	125.9
669	N	37.5	Very low	35.4	Very low	137 Å²	137	147.1 Å²	147.1	73%	0.733	75%	0.746	S	S	*	*				91	112.2	126.3	-67.5	-1.6	0	0	0	123.9
670	N	34.1	Very low	35.5	Very low	156 Å²	156	148.5 Å²	148.5	83%	0.834	75%	0.752	S	S	*	*			trans	77.4	156	140	-87.7	3.4	0	0	0	121.4
671	P	40.6	Very low	35.2	Very low	105 Å²	105	145.6 Å²	145.6	68%	0.682	74%	0.743	S	S	*	*			trans	-115.6	176.6	-158.5	43.2	-33.5	0	0	0	113.7
672	T	29.4	Very low	34.8	Very low	125 Å²	125	145.3 Å²	145.3	77%	0.767	75%	0.746	S	S	*	*				171.4	162	129.3	-70.8	0	0	0	0	108.6
673	S	28.5	Very low	34.6	Very low	90 Å²	90	147.2 Å²	147.2	63%	0.629	76%	0.756	S	S	*	*			trans	-59.1	159.3	177	54.8	0	0	0	0	114.3
674	H	33.4	Very low	34.5	Very low	183 Å²	183	142.4 Å²	142.4	85%	0.847	76%	0.755	S	S	*	*				-155.1	158.3	117.9	-103.1	-68.8	0	0	0	112.5
675	Y	28.7	Very low	34.3	Very low	207 Å²	207	141.4 Å²	141.4	81%	0.812	75%	0.75	S	S	*	*			trans	-70	158.7	173.3	-96.1	-125.2	0	0	0	112
676	L	34.5	Very low	34.1	Very low	174 Å²	174	142.3 Å²	142.3	91%	0.911	75%	0.754	S	S	*	*			trans	-155.3	134.8	131.1	-114	164.7	0	0	0	111
677	E	28.9	Very low	34.1	Very low	133 Å²	133	142.7 Å²	142.7	62%	0.621	76%	0.756	S	S	*	*			trans	-82.4	161.4	169.5	-62.2	169.6	84.8	0	0	110.7	N679	E677-N679 PolarHBondContact OE1-ND2 2.83Å
678	M	32.8	Very low	34.1	Very low	186 Å²	186	142 Å²	142	92%	0.916	75%	0.751	S	S	*	*			trans	-141.9	113.4	139.1	-81.1	-156	-73.5	0	0	110.7
679	N	31.8	Very low	34.3	Very low	123 Å²	123	141.9 Å²	141.9	66%	0.658	75%	0.75	S	S	*	*			trans	-83.5	156.8	157.9	-69.7	-72.5	0	0	0	109	E677	E677-N679 PolarHBondContact OE1-ND2 2.83Å
680	L	35.7	Very low	34.5	Very low	174 Å²	174	141.3 Å²	141.3	91%	0.911	74%	0.741	S	S	*	*			trans	-153.3	145.7	155.9	-110.1	165.1	0	0	0	110.6
681	C	31.6	Very low	34.7	Very low	92 Å²	92	140.5 Å²	140.5	62%	0.622	74%	0.737	S	S	*	*			trans	-121.1	174.8	-147.5	-47.2	0	0	0	0	114.9
682	N	32.7	Very low	34.2	Very low	146 Å²	146	139.7 Å²	139.7	78%	0.781	73%	0.733	S	S	*	*			trans	69.9	153.3	149.9	-62.7	-7	0	0	0	117.7
683	N	35.2	Very low	34.4	Very low	154 Å²	154	139.3 Å²	139.3	82%	0.824	73%	0.731	S	S	*	*			cis	-134.9	-179.7	13.7	-77.3	-70.2	0	0	0	111.4
684	G	34.7	Very low	34.5	Very low	70 Å²	70	141.5 Å²	141.5	72%	0.722	73%	0.734	S	S	*	*			trans	-158.3	-82.7	-179.3	0	0	0	0	0	117
685	I	34.6	Very low	34.4	Very low	142 Å²	142	139.3 Å²	139.3	73%	0.728	73%	0.728	S	S	*	*			trans	78.6	143.4	170.9	-63.9	174.3	0	0	0	118
686	K	35.8	Very low	34.3	Very low	160 Å²	160	138.9 Å²	138.9	70%	0.696	73%	0.725	S	S	*	*			trans	74	144.9	167.5	-81.8	164.4	-173.2	-47.2	0	118.4
687	E	37.9	Very low	34	Very low	151 Å²	151	136.6 Å²	136.6	71%	0.706	71%	0.713	S	S	*	*			cis	157	141.7	-15.2	-103.9	162.1	-134.7	0	0	104.5
688	E	40.3	Very low	34	Very low	147 Å²	147	137.8 Å²	137.8	69%	0.687	72%	0.719	S	S	*	*			cis	-123.8	-108.6	-11	-159.8	-159	121.5	0	0	111.5	K690	E688-K690 IonicContact OE1-NZ 2.71Å; E688-K690 PolarHBondContact OE1-NZ 2.96Å; E688-K690 IonicContact OE2-NZ 2.77Å; E688-K690 PolarHBondContact OE2-NZ 2.94Å
689	D	41.1	Very low	34.2	Very low	125 Å²	125	134.2 Å²	134.2	67%	0.668	71%	0.71	S	S	*	*			cis	-150.2	-175.7	-6.4	-169	24.1	0	0	0	110.8
690	K	41.5	Very low	34.2	Very low	124 Å²	124	135.4 Å²	135.4	54%	0.539	72%	0.715	S	S	.	*			trans	-94.6	129.5	-154.1	-58.6	146.6	-165.5	61.7	0	116.2	E688	E688-K690 IonicContact OE1-NZ 2.71Å; E688-K690 PolarHBondContact OE1-NZ 2.96Å; E688-K690 IonicContact OE2-NZ 2.77Å; E688-K690 PolarHBondContact OE2-NZ 2.94Å
691	N	38.7	Very low	33.8	Very low	140 Å²	140	133.8 Å²	133.8	75%	0.749	71%	0.707	S	S	*	*				167.8	114	105	-85.3	-50.8	0	0	0	110.1
692	S	31.3	Very low	33.8	Very low	87 Å²	87	136.3 Å²	136.3	61%	0.608	71%	0.714	S	S	*	*				73.8	139	60.8	90.3	0	0	0	0	111.9
693	V	32.9	Very low	33.6	Very low	117 Å²	117	136.3 Å²	136.3	71%	0.709	71%	0.709	S	S	*	*			cis	-143.2	120.9	9	168.1	0	0	0	0	106.1
694	I	29.8	Very low	33.2	Very low	136 Å²	136	134.8 Å²	134.8	70%	0.697	70%	0.7	S	S	*	*				65.3	141.7	64.4	-51.6	178.4	0	0	0	114.6
695	L	31.7	Very low	33.1	Very low	138 Å²	138	143.4 Å²	143.4	72%	0.723	71%	0.711	S	S	*	*			trans	105.9	137.6	163.9	-57	175.2	0	0	0	115.7
696	R	26.1	Very low	32.8	Very low	197 Å²	197	143.6 Å²	143.6	74%	0.743	71%	0.712	S	S	*	*			cis	171.7	158.8	-31.2	-115.9	-171.7	-170.3	166.9	-0.2	106.7
697	N	28.5	Very low	32.5	Very low	126 Å²	126	145.3 Å²	145.3	67%	0.674	72%	0.719	S	S	*	*			trans	80.5	125.6	141.6	-76.3	11.3	0	0	0	123.2
698	Q	29.5	Very low	32.1	Very low	159 Å²	159	141.1 Å²	141.1	74%	0.743	71%	0.711	S	S	*	*			trans	87.4	124.1	135.6	-66.2	-73.3	-9.3	0	0	120
699	P	36.1	Very low	31.5	Very low	111 Å²	111	144.6 Å²	144.6	72%	0.721	72%	0.719	S	S	*	*			trans	-98.8	131	169.4	36.1	-28.8	0	0	0	112.6
700	L	31.6	Very low	30.9	Very low	147 Å²	147	143.3 Å²	143.3	77%	0.77	72%	0.72	S	S	*	*			trans	-133.8	128.3	164	-69.8	172.6	0	0	0	107.2
701	L	27.7	Very low	30.5	Very low	141 Å²	141	143.2 Å²	143.2	74%	0.738	73%	0.73	S	S	*	*				68.2	145.6	75.1	-99.4	168.4	0	0	0	113.7
702	L	31.9	Very low	30.1	Very low	145 Å²	145	142 Å²	142	76%	0.759	73%	0.731	S	S	*	*			trans	72.9	144.2	-177.4	-60.7	123.5	0	0	0	116
703	H	29.2	Very low	30.3	Very low	146 Å²	146	143.4 Å²	143.4	68%	0.676	74%	0.741	S	S	*	*			cis	-163.4	162.3	-31.5	-127	38.8	0	0	0	110.2
704	N	27.2	Very low	30.5	Very low	122 Å²	122	142.7 Å²	142.7	65%	0.652	74%	0.738	S	S	*	*			trans	-3.1	127.2	158.3	-53.4	-32.3	0	0	0	119
705	R	31	Very low	30.5	Very low	251 Å²	251	142.6 Å²	142.6	95%	0.947	74%	0.739	S	S	*	*				-157.6	161.8	107	-112.8	170.4	-179.4	168.1	0.6	114.7
706	I	28.4	Very low	30.7	Very low	145 Å²	145	143.8 Å²	143.8	74%	0.744	75%	0.746	S	S	*	*			trans	-128.6	157.4	-165.7	-71.4	166.9	0	0	0	108.1
707	K	30.8	Very low	30.8	Very low	196 Å²	196	140.6 Å²	140.6	85%	0.852	74%	0.743	S	S	*	*			trans	86.9	152.2	176	-72.1	147.1	176.3	-174.3	0	116.9
708	A	28.1	Very low	30.9	Very low	63 Å²	63	142.2 Å²	142.2	52%	0.521	75%	0.75	S	S	.	*			cis	-178.5	163.4	-26.5	0	0	0	0	0	110.1
709	Y	28.4	Very low	30.9	Very low	221 Å²	221	140.8 Å²	140.8	87%	0.867	75%	0.747	S	S	*	*			trans	66.4	156.7	165.3	-54.8	-59.6	0	0	0	114.7
710	S	28.9	Very low	30.6	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	75%	0.75	S	S	*	*			cis	-163.2	-178.7	-14.2	-102.1	0	0	0	0	107.4
711	T	33.3	Very low	30.6	Very low	121 Å²	121	139.8 Å²	139.8	74%	0.742	75%	0.749	S	S	*	*			cis	-156.4	-172.7	15.3	-16.9	0	0	0	0	111.1
712	C	29.8	Very low	30.8	Very low	114 Å²	114	137.2 Å²	137.2	77%	0.77	74%	0.743	S	S	*	*			trans	-8.5	151.5	152.4	-59.9	0	0	0	0	120.2
713	S	36.1	Very low	31	Very low	118 Å²	118	140.9 Å²	140.9	83%	0.825	75%	0.748	S	S	*	*			cis	-149.6	160.8	47.5	-151.5	0	0	0	0	115.9
714	P	35.7	Very low	31.4	Very low	101 Å²	101	139.1 Å²	139.1	66%	0.656	75%	0.75	S	S	*	*			trans	-125.7	-161.8	-166.8	43.2	-26.6	0	0	0	115.4
715	L	30.7	Very low	31.6	Very low	135 Å²	135	140.4 Å²	140.4	71%	0.707	76%	0.756	S	S	*	*			trans	79.5	149.7	173.7	-66.1	150.8	0	0	0	114.7	L717	L715-L717 HydrophobicContact CD2-CD1 3.65Å
716	D	34.8	Very low	31.7	Very low	162 Å²	162	134.2 Å²	134.2	87%	0.866	74%	0.742	S	S	*	*			cis	-112.5	173.5	23.4	-94.1	-47.3	0	0	0	118.2
717	L	28.8	Very low	32	Very low	130 Å²	130	134.6 Å²	134.6	68%	0.681	74%	0.74	S	S	*	*			trans	-99.5	-176.1	-175.5	-109.1	79.2	0	0	0	114.3	L715	L715-L717 HydrophobicContact CD2-CD1 3.65Å
718	I	31.6	Very low	32	Very low	161 Å²	161	131.7 Å²	131.7	83%	0.826	73%	0.733	S	S	*	*			trans	111.2	127.1	154.1	-60.9	171.4	0	0	0	114.9
719	L	28.3	Very low	32	Very low	129 Å²	129	135.4 Å²	135.4	68%	0.675	74%	0.744	S	S	*	*			cis	-170.4	163.7	-34.5	-123.2	171.4	0	0	0	109.3
720	T	30.6	Very low	32	Very low	129 Å²	129	129.1 Å²	129.1	79%	0.791	73%	0.732	S	S	*	*			trans	64.2	149	172.7	72.8	0	0	0	0	116.8
721	S	30.3	Very low	31.8	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	74%	0.736	S	S	*	*			cis	-168.9	-178.6	-21.1	59.9	0	0	0	0	105.9
722	S	33.8	Very low	31.6	Very low	86 Å²	86	133.5 Å²	133.5	60%	0.601	73%	0.734	S	S	*	*			cis	-171.3	162.6	-6.2	30	0	0	0	0	105.8
723	Y	35.2	Very low	31.6	Very low	222 Å²	222	135.5 Å²	135.5	87%	0.871	74%	0.737	S	S	*	*			cis	-139.8	161.8	-19.2	-90.6	-60.4	0	0	0	107.9
724	P	38.3	Very low	31.3	Very low	109 Å²	109	137.2 Å²	137.2	71%	0.708	74%	0.736	S	S	*	*			trans	-125.3	-165.5	-168.2	43.8	-30.4	0	0	0	115.5
725	L	31.5	Very low	31.6	Very low	150 Å²	150	136.7 Å²	136.7	79%	0.785	73%	0.733	S	S	*	*			trans	100	169.5	149.3	-122.6	85.7	0	0	0	120.6
726	N	32.6	Very low	31.7	Very low	121 Å²	121	136.8 Å²	136.8	65%	0.647	73%	0.734	S	S	*	*			trans	74.4	143.8	177	-64.5	26.9	0	0	0	116.5
727	E	35.2	Very low	31.4	Very low	152 Å²	152	135.7 Å²	135.7	71%	0.71	73%	0.727	S	S	*	*			cis	-167.5	163.4	-7.8	-101.9	174.1	97.5	0	0	107.7
728	L	29.6	Very low	31.6	Very low	136 Å²	136	139.4 Å²	139.4	71%	0.712	74%	0.737	S	S	*	*			cis	-165.6	158.6	-26	-166	53.8	0	0	0	111.5
729	L	28.1	Very low	31.4	Very low	141 Å²	141	140.3 Å²	140.3	74%	0.738	74%	0.738	S	S	*	*			trans	23	131.8	158.2	-72.4	167.5	0	0	0	124.4
730	S	27.8	Very low	31.4	Very low	89 Å²	89	139.1 Å²	139.1	62%	0.622	74%	0.741	S	S	*	*				98.1	130.5	119.5	-84.1	0	0	0	0	125.2
731	L	26.1	Very low	31.6	Very low	145 Å²	145	137.8 Å²	137.8	76%	0.759	73%	0.734	S	S	*	*			trans	73.1	152.4	145.8	-60.2	165.2	0	0	0	117.1
732	K	28.8	Very low	31.5	Very low	165 Å²	165	140 Å²	140	72%	0.717	74%	0.736	S	S	*	*			cis	-159.7	154.3	11.4	-133.2	161.6	-174.3	177.8	0	113.2
733	L	30.4	Very low	31.4	Very low	157 Å²	157	141.5 Å²	141.5	82%	0.822	75%	0.747	S	S	*	*			trans	77.3	144.6	148.3	-78.8	154.6	0	0	0	124.5
734	L	30	Very low	31	Very low	153 Å²	153	137.9 Å²	137.9	80%	0.801	74%	0.742	S	S	*	*			trans	-122.7	-161.3	172.9	-129.3	71.5	0	0	0	106.1
735	P	40.3	Very low	30.7	Very low	91 Å²	91	141.2 Å²	141.2	59%	0.591	75%	0.748	S	S	*	*			cis	-137.2	-172.4	-17.9	33	-10.3	0	0	0	114.9
736	N	32.7	Very low	30.4	Very low	136 Å²	136	141 Å²	141	73%	0.727	75%	0.748	S	S	*	*			trans	136.5	115.9	142.5	-72.1	-20.4	0	0	0	112.6
737	I	29.6	Very low	30.3	Very low	140 Å²	140	143.6 Å²	143.6	72%	0.718	76%	0.76	S	S	*	*				86.3	108.5	53.5	-66.6	170.4	0	0	0	113.6
738	K	31.9	Very low	29.9	Very low	207 Å²	207	143.5 Å²	143.5	90%	0.9	76%	0.763	S	S	*	*				-160.5	151.4	121.9	-107.7	175.8	-177	-178.1	0	112.7
739	Q	28.6	Very low	29.8	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	77%	0.767	S	S	*	*			trans	-94.1	174.1	-179.9	-71.6	157.6	-31.3	0	0	109.4
740	S	28.5	Very low	29.9	Very low	105 Å²	105	143.2 Å²	143.2	73%	0.734	77%	0.772	S	S	*	*			cis	-175.8	-153.6	-14	55.3	0	0	0	0	104.9
741	P	34.2	Very low	29.8	Very low	101 Å²	101	149.3 Å²	149.3	66%	0.656	78%	0.781	S	S	*	*			cis	-130.4	164.9	-25.4	38.4	-21.4	0	0	0	115.6
742	I	28.2	Very low	29.9	Very low	153 Å²	153	148 Å²	148	79%	0.785	78%	0.775	S	S	*	*			trans	33.9	118.9	138.2	-53.2	163.8	0	0	0	120
743	S	31.6	Very low	29.8	Very low	119 Å²	119	146.7 Å²	146.7	83%	0.832	78%	0.776	S	S	*	*				-144.9	146.2	125.5	71.6	0	0	0	0	110.7
744	N	26.7	Very low	29.6	Very low	145 Å²	145	144.6 Å²	144.6	78%	0.775	77%	0.769	S	S	*	*			trans	-113.8	141.3	175.9	-78.4	-33.8	0	0	0	108.8
745	Q	31.4	Very low	29.4	Very low	179 Å²	179	144 Å²	144	84%	0.836	77%	0.767	S	S	*	*				-175	126.9	121.1	-100.8	167.2	27.3	0	0	113.1
746	N	26.4	Very low	28.7	Very low	147 Å²	147	146 Å²	146	79%	0.786	77%	0.771	S	S	*	*			trans	24.4	118	143.1	-52.5	-12.7	0	0	0	119.7
747	I	30.2	Very low	28.5	Very low	174 Å²	174	149.2 Å²	149.2	89%	0.892	78%	0.779	S	S	*	*				-149.3	141.8	114.2	-101.3	152.8	0	0	0	109.4
748	I	26.7	Very low	28.4	Very low	151 Å²	151	147.7 Å²	147.7	77%	0.774	78%	0.777	S	S	*	*			trans	-76.8	133.1	-166.2	-62.5	154.2	0	0	0	111.6
749	S	27.9	Very low	28.2	Very low	114 Å²	114	144.8 Å²	144.8	80%	0.797	77%	0.766	S	S	*	*			trans	-148	125	147.3	53.1	0	0	0	0	109.1
750	N	29.8	Very low	28.1	Very low	156 Å²	156	142.8 Å²	142.8	83%	0.834	76%	0.76	S	S	*	*			trans	-74.5	142.3	-168.9	-78.9	-4.4	0	0	0	112.5
751	R	26.4	Very low	28.1	Very low	217 Å²	217	146.5 Å²	146.5	82%	0.819	76%	0.759	S	S	*	*			trans	-93.1	171	166	-141.9	-171.8	-175.4	124.6	-0.4	109.3
752	D	28	Very low	27.9	Very low	118 Å²	118	150.5 Å²	150.5	63%	0.631	77%	0.767	S	S	*	*			trans	75.2	119.7	153.9	-56.4	-23.6	0	0	0	120
753	N	27.1	Very low	28	Very low	137 Å²	137	150.4 Å²	150.4	73%	0.733	77%	0.768	S	S	*	*			trans	79	124.6	130.1	-61.7	-16.1	0	0	0	123.3
754	T	26	Very low	28	Very low	113 Å²	113	154.7 Å²	154.7	69%	0.693	77%	0.772	S	S	*	*			trans	65.7	111.3	133.1	57.8	0	0	0	0	121.6
755	D	25.8	Very low	28.1	Very low	140 Å²	140	152.2 Å²	152.2	75%	0.749	77%	0.771	S	S	*	*				80.2	148	121.8	-68.7	-44.8	0	0	0	122.6
756	I	25.5	Very low	28.1	Very low	134 Å²	134	151.3 Å²	151.3	69%	0.687	77%	0.772	S	S	*	*			trans	58.8	102.5	163.4	-57.3	148.4	0	0	0	116.3
757	F	27.5	Very low	28.2	Very low	203 Å²	203	150.6 Å²	150.6	89%	0.89	77%	0.773	S	S	*	*				-128.7	101.9	120.7	-102.4	-80.2	0	0	0	109.9
758	V	27	Very low	28.2	Very low	109 Å²	109	153.3 Å²	153.3	66%	0.661	77%	0.774	S	S	*	*			trans	-83.3	126.3	163.1	171.8	0	0	0	0	106.9	L760	V758-L760 HydrophobicContact CG1-CD1 4.43Å; V758-L760 HydrophobicContact CG1-CG 4.05Å
759	Q	27.9	Very low	28.3	Very low	146 Å²	146	151.2 Å²	151.2	68%	0.682	77%	0.773	S	S	*	*			trans	-126.5	92.9	168.8	-161.2	158.8	5	0	0	110.3	Y761	Q759-Y761 HydrophobicContact CG-CD2 4.09Å; Q759-Y761 HydrophobicContact CG-CE2 3.97Å; Q759-Y761 PolarHBondContact O-N 3.37Å
760	L	27.3	Very low	28.5	Very low	137 Å²	137	151.6 Å²	151.6	72%	0.717	78%	0.775	S	S	*	*			trans	-72.1	101.8	170.6	-74.1	163.9	0	0	0	108.9	V758 F762	V758-L760 HydrophobicContact CG1-CD1 4.43Å; V758-L760 HydrophobicContact CG1-CG 4.05Å; L760-F762 HydrophobicContact CB-CD2 4.43Å; L760-F762 HydrophobicContact CB-CE2 4.39Å; L760-F762 PolarHBondContact O-N 3.41Å
761	Y	27.9	Very low	28.6	Very low	183 Å²	183	149.7 Å²	149.7	72%	0.718	77%	0.774	S	S	*	*			trans	-77.1	108	166.4	-98.1	-93.7	0	0	0	109.9	Q759	Q759-Y761 HydrophobicContact CG-CD2 4.09Å; Q759-Y761 HydrophobicContact CG-CE2 3.97Å; Q759-Y761 PolarHBondContact O-N 3.37Å
762	F	30.3	Very low	28.6	Very low	185 Å²	185	145 Å²	145	81%	0.811	77%	0.774	S	S	*	*			trans	-93.4	104.4	162.1	-82.9	-86.2	0	0	0	108.6	L760 K764	L760-F762 HydrophobicContact CB-CD2 4.43Å; L760-F762 HydrophobicContact CB-CE2 4.39Å; L760-F762 PolarHBondContact O-N 3.41Å; F762-K764 PolarHBondContact O-N 2.75Å; F762-K764 VanDerWaalsContact O-N 3.11Å
763	D	30.1	Very low	28.9	Very low	152 Å²	152	144.8 Å²	144.8	81%	0.813	78%	0.782	S	S	*	*			trans	-70.6	106.6	173	-83.8	-40.5	0	0	0	111.2
764	K	31.5	Very low	28.9	Very low	208 Å²	208	148.9 Å²	148.9	90%	0.904	79%	0.789	S	S	*	*			trans	-134.9	103	148.7	-101.4	-168.2	174	-175	0	109	F762	F762-K764 PolarHBondContact O-N 2.75Å; F762-K764 VanDerWaalsContact O-N 3.11Å
765	A	28.6	Very low	29.4	Very low	93 Å²	93	148.3 Å²	148.3	77%	0.769	79%	0.787	S	S	*	*			trans	-67.6	131	172.7	0	0	0	0	0	110.8
766	N	32.5	Very low	29.7	Very low	160 Å²	160	149.4 Å²	149.4	86%	0.856	79%	0.79	S	S	*	*				-166.3	109.8	126.6	-98	-13.6	0	0	0	108.9
767	V	28.3	Very low	29.9	Very low	133 Å²	133	148.5 Å²	148.5	81%	0.806	79%	0.787	S	S	*	*			trans	-81.6	116.6	171.1	176.5	0	0	0	0	107.9
768	Y	30.8	Very low	30.2	Very low	231 Å²	231	146.4 Å²	146.4	91%	0.906	78%	0.777	S	S	*	*			trans	-133.2	127.8	153.6	-107.3	-82.6	0	0	0	109.3
769	S	28.3	Very low	30.5	Very low	107 Å²	107	148.3 Å²	148.3	75%	0.748	78%	0.779	S	S	*	*			trans	-102.8	122	-170.1	46.8	0	0	0	0	111.8
770	S	31.3	Very low	30.5	Very low	122 Å²	122	148 Å²	148	85%	0.853	78%	0.782	S	S	*	*			trans	-160	141.1	150.8	50.8	0	0	0	0	111.1
771	S	32.4	Very low	30.8	Very low	116 Å²	116	147.5 Å²	147.5	81%	0.811	79%	0.79	S	S	*	*			trans	-79.1	143	174.7	47.6	0	0	0	0	111.4
772	S	26.9	Very low	30.9	Very low	117 Å²	117	144.8 Å²	144.8	82%	0.818	80%	0.796	S	S	*	*			trans	-81.7	129.1	178.8	55.7	0	0	0	0	113.3
773	S	33.3	Very low	31.2	Very low	115 Å²	115	144.5 Å²	144.5	80%	0.804	80%	0.801	S	S	*	*			trans	-146.2	120.9	160.3	55.1	0	0	0	0	110.9
774	Y	28.3	Very low	31.3	Very low	222 Å²	222	145.8 Å²	145.8	87%	0.871	80%	0.802	S	S	*	*			trans	-69.5	177.3	173.2	-83.3	-86.4	0	0	0	112.6
775	P	36.2	Very low	31.4	Very low	102 Å²	102	141.8 Å²	141.8	66%	0.662	80%	0.798	S	S	*	*			cis	-136.6	-169.7	-9.8	23.5	2.3	0	0	0	115
776	M	31.1	Very low	31.5	Very low	163 Å²	163	145.5 Å²	145.5	80%	0.803	80%	0.804	S	S	*	*			trans	95.6	127.8	147	-65.5	-44.3	-155.9	0	0	123
777	D	30.6	Very low	31.3	Very low	115 Å²	115	143.5 Å²	143.5	62%	0.615	80%	0.802	S	S	*	*			trans	83	119.2	134.5	-87.4	21.4	0	0	0	124.6
778	K	34.4	Very low	31.4	Very low	158 Å²	158	142.6 Å²	142.6	69%	0.687	80%	0.802	S	S	*	*			trans	101.5	102.5	133	-73.5	169.5	179.9	149.6	0	122.5
779	Q	31.8	Very low	31.2	Very low	149 Å²	149	138.9 Å²	138.9	70%	0.696	80%	0.797	S	S	*	*				75.4	102.8	121.2	-65.3	-178.8	-80.2	0	0	120.8
780	D	29.2	Very low	31.3	Very low	140 Å²	140	142.9 Å²	142.9	75%	0.749	80%	0.803	S	S	*	*				52.2	115	114.7	-47.6	-36.7	0	0	0	120.8
781	S	33.9	Very low	31.3	Very low	126 Å²	126	146.7 Å²	146.7	88%	0.881	80%	0.8	S	S	*	*				-167.1	130.6	114.9	23.3	0	0	0	0	111.6
782	C	29.1	Very low	31.4	Very low	127 Å²	127	146.9 Å²	146.9	86%	0.858	80%	0.799	S	S	*	*			trans	-113.8	146	178.4	-62	0	0	0	0	110.7
783	I	36.8	Very low	31.6	Very low	179 Å²	179	147 Å²	147	92%	0.918	80%	0.798	S	S	*	*			trans	-134.7	148	158.1	-63.2	-173.9	0	0	0	108.3
784	E	33.1	Very low	31.7	Very low	178 Å²	178	149.9 Å²	149.9	83%	0.832	80%	0.799	S	S	*	*			trans	-91.8	162.9	-154.8	-69.7	-170.8	132.3	0	0	116.6
785	P	32.7	Very low	31.9	Very low	124 Å²	124	143.8 Å²	143.8	81%	0.805	80%	0.795	S	S	*	*			trans	-86.6	157.6	172.9	36.1	-35.7	0	0	0	113.2
786	L	31.3	Very low	31.9	Very low	172 Å²	172	143.8 Å²	143.8	90%	0.901	80%	0.797	S	S	*	*			trans	-122	125.3	167.2	-102.3	168	0	0	0	111.1
787	S	26.6	Very low	32.3	Very low	117 Å²	117	141.2 Å²	141.2	82%	0.818	80%	0.795	S	S	*	*			trans	-92.2	130.2	170.7	50.5	0	0	0	0	110.4
788	S	30.6	Very low	32.5	Very low	115 Å²	115	140.3 Å²	140.3	80%	0.804	80%	0.798	S	S	*	*			trans	-152.1	151.8	163	54.8	0	0	0	0	110.9
789	L	26.9	Very low	32.5	Very low	153 Å²	153	141.3 Å²	141.3	80%	0.801	80%	0.802	S	S	*	*			trans	-72.5	155.5	179.9	-59.5	79.2	0	0	0	110.2
790	H	31.6	Very low	32.7	Very low	191 Å²	191	139.2 Å²	139.2	88%	0.884	80%	0.8	S	S	*	*				-154.6	124.7	128.5	-109.9	78.5	0	0	0	111.6
791	Y	31.2	Very low	32.9	Very low	201 Å²	201	139.3 Å²	139.3	79%	0.788	80%	0.801	S	S	*	*			trans	-78.6	162.6	154	-101.1	-94.2	0	0	0	108.7
792	P	34.9	Very low	32.9	Very low	120 Å²	120	138.9 Å²	138.9	78%	0.779	80%	0.797	S	S	*	*				-133.8	124.2	123.2	34.4	-24.9	0	0	0	112.4
793	C	30.4	Very low	33.1	Very low	119 Å²	119	138.4 Å²	138.4	80%	0.804	79%	0.794	S	S	*	*			trans	-122.6	110.1	152	-167	0	0	0	0	106.4
794	Q	34.3	Very low	32.7	Very low	176 Å²	176	135.8 Å²	135.8	82%	0.822	79%	0.79	S	S	*	*			trans	-85.4	150.9	-178.6	-76.9	-174.8	-28.1	0	0	111.5
795	A	34.2	Very low	32.6	Very low	94 Å²	94	136.6 Å²	136.6	78%	0.777	79%	0.794	S	S	*	*			trans	66.5	149.7	155.8	0	0	0	0	0	118.4
796	S	36.2	Very low	32.4	Very low	102 Å²	102	135.9 Å²	135.9	71%	0.713	79%	0.792	S	S	*	*			cis	-167.2	163.8	-27.7	52.8	0	0	0	0	108.4
797	S	37.9	Very low	32.5	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	79%	0.79	S	S	*	*			trans	66	156.5	169.7	74.6	0	0	0	0	117.9
798	S	35.3	Very low	32.8	Very low	95 Å²	95	133.9 Å²	133.9	66%	0.664	79%	0.787	S	S	*	*				-164.2	171.7	-59.1	45.2	0	0	0	0	110
799	F	35.1	Very low	33.1	Very low	179 Å²	179	135 Å²	135	79%	0.785	79%	0.789	S	S	*	*			trans	58.3	90.1	159	-74.9	-70.3	0	0	0	120.3
800	T	34.8	Very low	33.5	Very low	106 Å²	106	137.1 Å²	137.1	65%	0.65	79%	0.787	S	S	*	*				75.5	135.5	119.5	49.6	0	0	0	0	123.2
801	N	34.1	Very low	33.7	Very low	142 Å²	142	133.9 Å²	133.9	76%	0.759	79%	0.785	S	S	*	*			trans	79.2	106.9	138	-67.5	-3.2	0	0	0	121.4
802	S	34.3	Very low	34.1	Very low	116 Å²	116	129.9 Å²	129.9	81%	0.811	77%	0.774	S	S	*	*				102.2	145.9	123.1	79.2	0	0	0	0	119.8
803	C	32.1	Very low	34.2	Very low	117 Å²	117	130.7 Å²	130.7	79%	0.791	77%	0.772	S	S	*	*			trans	29.8	105.9	161.6	-69.9	0	0	0	0	120.6	Q805	C803-Q805 PolarHBondContact O-N 2.96Å
804	C	29.8	Very low	34.5	Very low	124 Å²	124	130.7 Å²	130.7	84%	0.838	77%	0.773	S	S	*	*				8.9	111.6	121.8	-51	0	0	0	0	117.4
805	Q	30.6	Very low	34.6	Very low	195 Å²	195	128.9 Å²	128.9	91%	0.911	77%	0.768	S	S	*	*				-169.2	161.2	122.5	-106.7	169.5	18.1	0	0	114.7	C803	C803-Q805 PolarHBondContact O-N 2.96Å
806	S	29	Very low	34.8	Very low	110 Å²	110	133.4 Å²	133.4	77%	0.769	77%	0.771	S	S	*	*			trans	-66.6	140.7	-168.1	-43.2	0	0	0	0	117.3
807	T	33.7	Very low	34.7	Very low	138 Å²	138	136.8 Å²	136.8	85%	0.847	78%	0.775	S	S	*	*			trans	-140.2	126.1	141.9	49	0	0	0	0	107.7
808	S	31.7	Very low	34.5	Very low	109 Å²	109	138.7 Å²	138.7	76%	0.762	78%	0.777	S	S	*	*			cis	86	93.8	28.4	-161.4	0	0	0	0	115.3
809	T	37.7	Very low	34.7	Very low	139 Å²	139	137.9 Å²	137.9	85%	0.853	77%	0.771	S	S	*	*			trans	-131.6	110.5	147.4	45.5	0	0	0	0	106.7
810	R	34	Very low	34.7	Very low	196 Å²	196	136 Å²	136	74%	0.74	77%	0.77	S	S	*	*				98.8	87.4	59	-178.5	179.7	174.4	-178.9	-2.8	111.1	H812	R810-H812 PolarHBondContact NE-NE2 3.47Å; R810-H812 PolarHBondContact NH2-NE2 3.41Å
811	S	36.9	Very low	34.8	Very low	123 Å²	123	138.5 Å²	138.5	86%	0.86	78%	0.779	S	S	*	*			trans	-114.8	163	150.1	57.8	0	0	0	0	108.6
812	H	39.3	Very low	35	Very low	117 Å²	117	139.7 Å²	139.7	54%	0.542	79%	0.785	S	S	.	*			trans	-115.3	144.8	-152.2	-99.7	-78.8	0	0	0	115.9	R810	R810-H812 PolarHBondContact NE-NE2 3.47Å; R810-H812 PolarHBondContact NH2-NE2 3.41Å
813	N	36.3	Very low	35	Very low	138 Å²	138	137.4 Å²	137.4	74%	0.738	78%	0.78	S	S	*	*			trans	61	113.4	145.5	-57.8	-2.9	0	0	0	120.5
814	S	36.8	Very low	35.4	Very low	119 Å²	119	142.1 Å²	142.1	83%	0.832	78%	0.783	S	S	*	*				-156.4	126.8	118.9	49.7	0	0	0	0	111.9
815	L	37.4	Very low	35.8	Very low	137 Å²	137	143 Å²	143	72%	0.717	78%	0.779	S	S	*	*			trans	-80.1	151.4	156.4	-80.9	67.4	0	0	0	106.7
816	F	38.4	Very low	36.1	Very low	189 Å²	189	138.4 Å²	138.4	83%	0.829	77%	0.769	S	S	*	*				-170	166.5	69.2	-101.9	-78.5	0	0	0	112.9
817	Q	33.3	Very low	36.4	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	76%	0.763	S	S	*	*			trans	-66.3	156.7	161.9	-61.9	161.9	-21.4	0	0	109.3
818	N	34.9	Very low	36.5	Very low	150 Å²	150	139.3 Å²	139.3	80%	0.802	77%	0.767	S	S	*	*				-168.9	178.2	73.6	-146.1	-4.9	0	0	0	114.9
819	S	38.5	Very low	36.7	Very low	79 Å²	79	137 Å²	137	55%	0.552	76%	0.761	S	S	*	*			trans	-61.2	150.5	-171.7	57.6	0	0	0	0	119.3
820	N	34.5	Very low	36.6	Very low	140 Å²	140	139.7 Å²	139.7	75%	0.749	77%	0.766	S	S	*	*			trans	45.2	119.7	136	-54.6	-1.7	0	0	0	120.5
821	N	38.3	Very low	36.5	Very low	158 Å²	158	136.4 Å²	136.4	85%	0.845	76%	0.763	S	S	*	*				-168.5	163.2	93.4	-104.1	-29.5	0	0	0	114
822	N	38	Very low	36.4	Very low	166 Å²	166	136.7 Å²	136.7	89%	0.888	76%	0.759	S	S	*	*			trans	-86.3	165.5	177.6	-63.8	-45.4	0	0	0	112.3
823	G	33.6	Very low	36.1	Very low	69 Å²	69	135.9 Å²	135.9	71%	0.711	76%	0.763	S	S	*	*			trans	140.3	72.1	147.9	0	0	0	0	0	119.5
824	Y	40.8	Very low	36	Very low	216 Å²	216	138.8 Å²	138.8	85%	0.847	77%	0.765	S	S	*	*			trans	28.9	141.7	139.7	-80.1	-80.3	0	0	0	124.4
825	N	38.1	Very low	35.9	Very low	142 Å²	142	139.2 Å²	139.2	76%	0.759	76%	0.758	S	S	*	*			trans	87.2	103.8	136.6	-77.1	-11.7	0	0	0	122.9
826	S	36.1	Very low	35.6	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	76%	0.755	S	S	*	*				111.4	126.2	103.3	-159.3	0	0	0	0	120.7
827	S	35.7	Very low	35.5	Very low	92 Å²	92	137.2 Å²	137.2	64%	0.643	76%	0.76	S	S	*	*			trans	53	106.2	141.2	62	0	0	0	0	121.5
828	N	36.8	Very low	35.4	Very low	175 Å²	175	137 Å²	137	94%	0.936	77%	0.765	S	S	*	*				-179.5	152	126.5	-87.5	-31.2	0	0	0	108.4
829	G	34.7	Very low	35.3	Very low	61 Å²	61	135.6 Å²	135.6	63%	0.629	77%	0.767	S	S	*	*			cis	161.9	132.1	-8.5	0	0	0	0	0	111.4
830	M	36	Very low	35	Very low	194 Å²	194	137 Å²	137	96%	0.956	78%	0.776	S	S	*	*			trans	64.6	174.4	173.3	-56.1	-163.8	-164.9	0	0	117.7
831	N	32.2	Very low	35	Very low	127 Å²	127	138.5 Å²	138.5	68%	0.679	78%	0.784	S	S	*	*				-166.8	-176.4	-55.4	-158.1	-6.7	0	0	0	108.3
832	T	34.6	Very low	34.5	Very low	129 Å²	129	136.1 Å²	136.1	79%	0.791	78%	0.779	S	S	*	*			trans	72.1	121.1	179.3	73.1	0	0	0	0	114.3
833	T	32.7	Very low	34.4	Very low	101 Å²	101	133.9 Å²	133.9	62%	0.62	77%	0.773	S	S	*	*			cis	97.5	128.3	6.5	-36.5	0	0	0	0	116.8
834	Y	33.6	Very low	34.4	Very low	199 Å²	199	138.1 Å²	138.1	78%	0.78	78%	0.777	S	S	*	*			trans	110.6	128.7	155	-74.7	-60.9	0	0	0	121.5
835	N	35.7	Very low	33.9	Very low	127 Å²	127	135.3 Å²	135.3	68%	0.679	77%	0.773	S	S	*	*			trans	44.7	123.5	143.9	-61.3	-14.4	0	0	0	120.3
836	S	31.3	Very low	33.7	Very low	94 Å²	94	136.6 Å²	136.6	66%	0.657	78%	0.778	S	S	*	*			cis	77.4	119	43.5	88	0	0	0	0	115.2
837	M	35	Very low	33.6	Very low	190 Å²	190	137.1 Å²	137.1	94%	0.936	78%	0.777	S	S	*	*			trans	-165.9	149.2	145.9	-115.9	170.6	-80.4	0	0	110.3
838	N	31.1	Very low	33.5	Very low	169 Å²	169	139.1 Å²	139.1	90%	0.904	79%	0.788	S	S	*	*			trans	-89.2	148.5	179.2	-72.9	-32.8	0	0	0	111.5
839	S	34.4	Very low	33.4	Very low	121 Å²	121	135.9 Å²	135.9	85%	0.846	78%	0.779	S	S	*	*			trans	-150.9	133.8	145.8	58.7	0	0	0	0	110.5
840	S	32.2	Very low	33.5	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	78%	0.784	S	S	*	*			trans	-78.5	158.8	178.1	46.2	0	0	0	0	112.5
841	L	34.1	Very low	33.2	Very low	172 Å²	172	133.5 Å²	133.5	90%	0.901	77%	0.772	S	S	*	*				177.1	145.5	121.2	-91.8	158.1	0	0	0	112.2
842	S	27.3	Very low	33.2	Very low	107 Å²	107	132.7 Å²	132.7	75%	0.748	78%	0.776	S	S	*	*			trans	-72.9	175.9	168	-47.7	0	0	0	0	110.3
843	P	37	Very low	33.1	Very low	119 Å²	119	130.6 Å²	130.6	77%	0.773	77%	0.767	S	S	*	*			cis	-151.7	-163.9	21.9	38.5	-13.1	0	0	0	117.3
844	M	32.2	Very low	33	Very low	159 Å²	159	134.2 Å²	134.2	78%	0.783	78%	0.782	S	S	*	*			trans	101.7	130.6	138.3	-156	162.1	72.4	0	0	121
845	M	31.1	Very low	33	Very low	157 Å²	157	133.3 Å²	133.3	77%	0.773	78%	0.782	S	S	*	*			trans	-8.3	138	166.4	-55.9	-177.3	-67.1	0	0	120.6
846	I	34.1	Very low	32.9	Very low	168 Å²	168	136.4 Å²	136.4	86%	0.862	79%	0.79	S	S	*	*			trans	-120.6	127.5	144.4	-63.9	179	0	0	0	108.2
847	T	33.8	Very low	33	Very low	110 Å²	110	139.9 Å²	139.9	68%	0.675	80%	0.801	S	S	*	*			trans	-78.7	140	175.2	46.3	0	0	0	0	111.5	S849	T847-S849 PolarHBondContact O-N 3.35Å
848	P	33.6	Very low	32.8	Very low	134 Å²	134	136.2 Å²	136.2	87%	0.87	79%	0.793	S	S	*	*			trans	-73.3	101	178	29.7	-33.8	0	0	0	111.1
849	S	35.6	Very low	32.8	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	79%	0.787	S	S	*	*			trans	-75.1	130.4	172.9	55.8	0	0	0	0	111.7	T847	T847-S849 PolarHBondContact O-N 3.35Å
850	S	35.7	Very low	32.7	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	79%	0.785	S	S	*	*			trans	-28.5	125.5	163.7	52.4	0	0	0	0	116.7
851	S	30.3	Very low	32.9	Very low	103 Å²	103	131.5 Å²	131.5	72%	0.72	79%	0.785	S	S	*	*			trans	53.4	145.8	135.8	66.3	0	0	0	0	122.6
852	S	31	Very low	32.9	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	78%	0.779	S	S	*	*			trans	104.9	134.1	144.6	80.3	0	0	0	0	119.6
853	S	32.5	Very low	33.3	Very low	85 Å²	85	128.4 Å²	128.4	59%	0.594	78%	0.778	S	S	*	*			trans	40.4	120.1	154.7	56	0	0	0	0	121.4	F855	S853-F855 PolarHBondContact O-N 3.42Å
854	L	31.4	Very low	33.2	Very low	178 Å²	178	127 Å²	127	93%	0.932	77%	0.771	S	S	*	*			trans	-56.8	119.6	144.7	-67.9	164.2	0	0	0	109.7
855	F	33.5	Very low	33.2	Very low	180 Å²	180	126.6 Å²	126.6	79%	0.789	77%	0.772	S	S	*	*			trans	-140.7	166.5	161.8	-98.4	-70	0	0	0	110.8	S853	S853-F855 PolarHBondContact O-N 3.42Å
856	F	34.4	Very low	33.5	Very low	192 Å²	192	124.3 Å²	124.3	84%	0.842	77%	0.771	S	S	*	*			trans	-73.2	145.8	-160.9	-75.5	-102.5	0	0	0	114	C858	F856-C858 PolarHBondContact O-N 3.08Å
857	N	33.1	Very low	33.5	Very low	167 Å²	167	121 Å²	121	89%	0.893	76%	0.764	S	S	*	*			trans	-66.3	123.3	168.4	-170.5	10.7	0	0	0	109.8
858	C	29.8	Very low	33.5	Very low	112 Å²	112	123.8 Å²	123.8	76%	0.757	77%	0.772	S	S	*	*			trans	-111.9	115.7	-179.8	-170.5	0	0	0	0	109.8	F856	F856-C858 PolarHBondContact O-N 3.08Å
859	G	32	Very low	33.4	Very low	75 Å²	75	122.5 Å²	122.5	77%	0.773	77%	0.767	S	S	*	*			trans	-115.9	101.9	176.2	0	0	0	0	0	111.1
860	S	31.1	Very low	33.2	Very low	117 Å²	117	128.6 Å²	128.6	82%	0.818	78%	0.775	S	S	*	*			trans	-147.8	121.6	171	-74.5	0	0	0	0	109.7
861	S	36.7	Very low	33.3	Very low	108 Å²	108	131.4 Å²	131.4	76%	0.755	78%	0.78	S	S	*	*			trans	-137.3	126.7	178.8	56.3	0	0	0	0	110.5
862	S	34.2	Very low	33.4	Very low	111 Å²	111	133.8 Å²	133.8	78%	0.776	79%	0.785	S	S	*	*			trans	44.4	122.6	157.8	59	0	0	0	0	117.9
863	S	36	Very low	33.7	Very low	103 Å²	103	134.7 Å²	134.7	72%	0.72	79%	0.791	S	S	*	*				-178.9	155.5	58	50.1	0	0	0	0	113.8
864	S	34.9	Very low	33.7	Very low	90 Å²	90	142.2 Å²	142.2	63%	0.629	81%	0.806	S	S	*	*			trans	44.5	123.4	143.6	63.5	0	0	0	0	122.7
865	N	33.4	Very low	34.1	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	80%	0.798	S	S	*	*			trans	90.8	132.6	133.9	-65	-0.2	0	0	0	122.8
866	S	35.9	Very low	34.3	Very low	109 Å²	109	141.8 Å²	141.8	76%	0.762	80%	0.802	S	S	*	*			trans	81.9	130.1	138.7	57.4	0	0	0	0	122.6
867	S	35	Very low	34.6	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	80%	0.798	S	S	*	*			trans	54.6	98.9	145.2	52.7	0	0	0	0	120.9
868	I	32.7	Very low	34.9	Very low	168 Å²	168	135.2 Å²	135.2	86%	0.862	79%	0.788	S	S	*	*				22.9	114.1	118.2	-53	170.6	0	0	0	116.6
869	S	32.9	Very low	35.3	Very low	107 Å²	107	134.9 Å²	134.9	75%	0.748	79%	0.787	S	S	*	*			trans	-166.7	147	131.2	45.2	0	0	0	0	111.5
870	Y	31.6	Very low	35.6	Very low	235 Å²	235	137.8 Å²	137.8	92%	0.922	79%	0.785	S	S	*	*			trans	-97.7	123.8	172	-80.1	-98.9	0	0	0	109.6
871	I	37.7	Very low	36	Very low	162 Å²	162	138 Å²	138	83%	0.831	78%	0.781	S	S	*	*			trans	-135.4	136.1	161.7	-64.4	-173.9	0	0	0	110
872	N	32.8	Very low	36.1	Very low	153 Å²	153	136.9 Å²	136.9	82%	0.818	77%	0.773	S	S	*	*			trans	-73.1	149.8	178.1	-67.8	-74	0	0	0	112.9
873	S	35.9	Very low	36.3	Very low	127 Å²	127	137.9 Å²	137.9	89%	0.888	77%	0.77	S	S	*	*			trans	-156.6	147.8	146.1	-84.6	0	0	0	0	111.1
874	R	33.9	Very low	36.4	Very low	244 Å²	244	140.8 Å²	140.8	92%	0.921	77%	0.774	S	S	*	*			trans	-103.3	156.1	-169.6	-100.4	179.4	163.7	179	-6	113.3
875	P	38.5	Very low	36.5	Very low	117 Å²	117	147.2 Å²	147.2	76%	0.76	78%	0.784	S	S	*	*			trans	-84.1	173.4	166.8	36.8	-35.9	0	0	0	112.9
876	R	38.5	Very low	36.6	Very low	232 Å²	232	150 Å²	150	88%	0.875	78%	0.784	S	S	*	*			trans	-116.3	116.5	163.3	-88.1	-178.8	164.9	162	-4.5	107.8
877	T	40.1	Very low	36.4	Very low	124 Å²	124	148.9 Å²	148.9	76%	0.761	78%	0.776	S	S	*	*				59	123.2	85	63.9	0	0	0	0	112.9
878	S	38.9	Very low	36.4	Very low	97 Å²	97	152.7 Å²	152.7	68%	0.678	78%	0.776	S	S	*	*			cis	-141.2	-153.6	5.4	53.1	0	0	0	0	109.2
879	S	39.6	Very low	36.6	Very low	104 Å²	104	154.5 Å²	154.5	73%	0.727	77%	0.773	S	S	*	*			cis	-170.5	157.6	5.3	13.4	0	0	0	0	109.3
880	D	37.3	Very low	36.6	Very low	136 Å²	136	154.1 Å²	154.1	73%	0.727	77%	0.77	S	S	*	*			cis	-170.6	-174.1	-31.1	-133.6	-68.9	0	0	0	110.5
881	V	40	Very low	36.5	Very low	123 Å²	123	150.6 Å²	150.6	75%	0.745	76%	0.762	S	S	*	*			trans	47.8	122.7	152.3	172	0	0	0	0	119.3
882	S	38	Very low	36.3	Very low	83 Å²	83	149 Å²	149	58%	0.58	76%	0.764	S	S	*	*			cis	-171.5	164.3	-8.4	62.2	0	0	0	0	112.2
883	N	38.9	Very low	36.4	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	76%	0.76	S	S	*	*			trans	63.6	150.2	149.6	-65.7	-31.7	0	0	0	119.4
884	M	37.4	Very low	36.4	Very low	163 Å²	163	148.2 Å²	148.2	80%	0.803	76%	0.755	S	S	*	*			cis	-158.1	163.1	-12.1	-106.1	-179.4	-71.5	0	0	105.6
885	R	37.6	Very low	36.4	Very low	225 Å²	225	142.3 Å²	142.3	85%	0.849	74%	0.741	S	S	*	*			cis	155.8	141.3	-20.7	-176.4	177.1	-173.5	-159.8	3.4	105.2
886	R	35.2	Very low	36.2	Very low	208 Å²	208	145.8 Å²	145.8	79%	0.785	74%	0.741	S	S	*	*			trans	83.1	127.6	-174.1	-54.9	-179.1	174	-144.9	-1.6	114.1
887	S	31.3	Very low	36.1	Very low	86 Å²	86	140.4 Å²	140.4	60%	0.601	73%	0.729	S	S	*	*			cis	85.5	121.7	16.3	88.5	0	0	0	0	117.4
888	Y	35.8	Very low	35.9	Very low	180 Å²	180	141.6 Å²	141.6	71%	0.706	73%	0.726	S	S	*	*				174.9	133.1	123.6	-87.1	-61	0	0	0	111.9
889	Y	36.5	Very low	35.9	Very low	205 Å²	205	145.2 Å²	145.2	80%	0.804	73%	0.731	S	S	*	*			trans	34.1	146.9	130.8	-75.5	-121.8	0	0	0	120.5
890	C	32.8	Very low	35.7	Very low	100 Å²	100	146.4 Å²	146.4	68%	0.676	73%	0.725	S	S	*	*			cis	-159.9	174.7	7.3	-144	0	0	0	0	115.5
891	H	30.3	Very low	35.9	Very low	161 Å²	161	147.6 Å²	147.6	75%	0.745	73%	0.731	S	S	*	*			trans	-50.8	154.4	176.8	-64.7	75.5	0	0	0	120
892	S	33	Very low	35.8	Very low	127 Å²	127	148.4 Å²	148.4	89%	0.888	73%	0.726	S	S	*	*			trans	-176.3	121.6	142.1	-76.5	0	0	0	0	108.8
893	N	34.7	Very low	35.9	Very low	135 Å²	135	151.8 Å²	151.8	72%	0.722	73%	0.732	S	S	*	*			cis	99	87.8	3	-153.5	32.7	0	0	0	118.7
894	V	36.5	Very low	35.8	Very low	130 Å²	130	152.5 Å²	152.5	79%	0.788	73%	0.732	S	S	*	*			trans	-150.5	127.6	157.6	-175.4	0	0	0	0	106.4	Y896	V894-Y896 HydrophobicContact CG1-CD2 4.49Å
895	N	34.1	Very low	35.9	Very low	119 Å²	119	151.5 Å²	151.5	64%	0.636	73%	0.725	S	S	*	*			cis	101.6	161	9.6	-152.5	5	0	0	0	115.6
896	Y	34.5	Very low	36	Very low	190 Å²	190	147.6 Å²	147.6	75%	0.745	72%	0.716	S	S	*	*			trans	79.9	136.7	-176.1	-66.9	-95.3	0	0	0	117.9	V894	V894-Y896 HydrophobicContact CG1-CD2 4.49Å
897	L	36.3	Very low	36.1	Very low	120 Å²	120	144.2 Å²	144.2	63%	0.628	71%	0.71	S	S	*	*			cis	-168.9	150.4	-24.9	-153	74.5	0	0	0	112
898	H	35.1	Very low	36.3	Very low	149 Å²	149	148 Å²	148	69%	0.69	72%	0.718	S	S	*	*			trans	48.9	151.8	147.6	-88.5	41.4	0	0	0	121
899	H	38.2	Very low	36.3	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.796	72%	0.719	S	S	*	*			cis	-146.2	-179.8	42	-138.2	-86.2	0	0	0	114.6
900	H	37.4	Very low	36.2	Very low	130 Å²	130	140.3 Å²	140.3	60%	0.602	72%	0.717	S	S	*	*			trans	-143.3	149.8	-170.9	174	81.1	0	0	0	111.8
901	L	41.2	Very low	36.3	Very low	161 Å²	161	141.7 Å²	141.7	84%	0.843	72%	0.723	S	S	*	*			trans	-166	171.9	151.6	-134.6	71.7	0	0	0	113.2
902	Q	37.1	Very low	36.3	Very low	140 Å²	140	141.5 Å²	141.5	65%	0.654	72%	0.724	S	S	*	*			trans	-129.3	167.5	-172.1	-59.4	177.2	-38.2	0	0	112.9
903	H	40	Very low	36.4	Very low	153 Å²	153	141.4 Å²	141.4	71%	0.708	72%	0.719	S	S	*	*			trans	166	127.9	130.8	-85.3	-63.5	0	0	0	108.7
904	Q	37.9	Very low	36.4	Very low	148 Å²	148	142.1 Å²	142.1	69%	0.692	72%	0.717	S	S	*	*				53.4	127.6	84.9	-72.3	-165.1	26.8	0	0	113
905	Q	38.7	Very low	36.4	Very low	143 Å²	143	142.6 Å²	142.6	67%	0.668	72%	0.716	S	S	*	*			cis	-158.9	-172.7	20.8	-112.8	173.6	55.6	0	0	108.6
906	Q	39	Very low	36.9	Very low	143 Å²	143	141.7 Å²	141.7	67%	0.668	72%	0.716	S	S	*	*			cis	-154.4	-131.6	10.1	-143.2	-168.6	84.7	0	0	115.5
907	Q	38	Very low	37	Very low	137 Å²	137	141.9 Å²	141.9	64%	0.64	72%	0.721	S	S	*	*			trans	-99.6	175.9	-171.4	-74.5	177.9	91.7	0	0	113.6
908	Q	35.1	Very low	36.9	Very low	165 Å²	165	142.1 Å²	142.1	77%	0.771	72%	0.722	S	S	*	*			cis	-158.6	175.2	-5.7	-119.3	-168.6	68.3	0	0	109.9
909	P	37	Very low	37.1	Very low	112 Å²	112	142 Å²	142	73%	0.727	72%	0.722	S	S	*	*			trans	-114.7	160.9	-165.8	41.8	-35.2	0	0	0	118.9
910	S	34.6	Very low	37	Very low	111 Å²	111	139.8 Å²	139.8	78%	0.776	71%	0.712	S	S	*	*			trans	-173.4	155.7	172.3	55.9	0	0	0	0	112.6
911	T	33	Very low	37	Very low	129 Å²	129	141.6 Å²	141.6	79%	0.791	72%	0.718	S	S	*	*			cis	-171.2	146.6	-47.8	14.8	0	0	0	0	110.5
912	M	31.2	Very low	36.7	Very low	158 Å²	158	141.7 Å²	141.7	78%	0.778	71%	0.714	S	S	*	*			trans	66.6	161.6	172.4	-58.5	-173.9	76.5	0	0	115.6
913	T	34.4	Very low	36.8	Very low	125 Å²	125	141.5 Å²	141.5	77%	0.767	71%	0.713	S	S	*	*			cis	-144.3	170.6	23.4	-43.4	0	0	0	0	113.9
914	Q	35.1	Very low	36.8	Very low	149 Å²	149	142 Å²	142	70%	0.696	72%	0.716	S	S	*	*			trans	-73.3	-176.7	-176.2	-51.2	163	-29.6	0	0	113.3
915	N	36.6	Very low	36.7	Very low	141 Å²	141	139.5 Å²	139.5	75%	0.754	72%	0.715	S	S	*	*			cis	-159.7	174	28.3	-120.5	-18.5	0	0	0	113.1
916	P	45.5	Very low	36.7	Very low	99 Å²	99	140.8 Å²	140.8	64%	0.643	72%	0.718	S	S	*	*			trans	-120.4	175.4	-166.2	44.6	-36.9	0	0	0	117
917	F	35	Very low	36.5	Very low	194 Å²	194	144.9 Å²	144.9	85%	0.851	73%	0.728	S	S	*	*			trans	-153.6	151.2	156.4	-92.7	-97.8	0	0	0	108.7
918	L	35.5	Very low	36.3	Very low	125 Å²	125	149.8 Å²	149.8	65%	0.654	74%	0.74	S	S	*	*			cis	-172.8	137.7	-22.8	-165.5	84.9	0	0	0	110.9
919	H	38	Very low	36.1	Very low	147 Å²	147	150.2 Å²	150.2	68%	0.681	74%	0.742	S	S	*	*			trans	62.5	164.6	149.9	-87.5	-135.7	0	0	0	119.8
920	Q	37.3	Very low	36	Very low	125 Å²	125	152.7 Å²	152.7	58%	0.584	74%	0.744	S	S	*	*			cis	-167.1	136.7	-19.9	-168.6	176.9	-2.4	0	0	106
921	F	36	Very low	36	Very low	168 Å²	168	155 Å²	155	74%	0.737	74%	0.742	S	S	*	*				-178.2	158.4	86.8	-106.2	-80.8	0	0	0	111.3
922	Q	35	Very low	35.9	Very low	163 Å²	163	153.8 Å²	153.8	76%	0.762	74%	0.735	S	S	*	*			trans	-108.3	168.4	169.5	-61	175.2	-69.4	0	0	110.9
923	H	39.7	Very low	36	Very low	136 Å²	136	152.2 Å²	152.2	63%	0.63	73%	0.734	S	S	*	*				165.9	128.2	116.4	-89.2	-75.6	0	0	0	112.8
924	Q	39.9	Very low	35.6	Very low	163 Å²	163	157.3 Å²	157.3	76%	0.762	74%	0.74	S	S	*	*				53.9	152.6	129.2	-65.3	-178.9	21.2	0	0	121.1
925	S	36.6	Very low	35.7	Very low	96 Å²	96	155.6 Å²	155.6	67%	0.671	74%	0.741	S	S	*	*			cis	-161.8	174.8	-4.6	-101.5	0	0	0	0	107.6
926	K	37.8	Very low	35.3	Very low	171 Å²	171	156.3 Å²	156.3	74%	0.743	74%	0.744	S	S	*	*			cis	150.9	123.4	-20.3	-162.7	-176.4	-173.4	174.2	0	106.7
927	R	35.4	Very low	34.6	Very low	228 Å²	228	157.5 Å²	157.5	86%	0.86	76%	0.755	S	S	*	*			trans	76.4	158	177.1	-52.4	179	164.8	165.1	-7.2	115.6
928	R	32.8	Very low	34.3	Very low	241 Å²	241	154 Å²	154	91%	0.909	75%	0.75	S	S	*	*			cis	-125.6	168.2	7	-80.8	-174.9	170	176.1	-3.6	113.2
929	Q	32.3	Very low	34.1	Very low	174 Å²	174	155.3 Å²	155.3	81%	0.813	76%	0.755	S	S	*	*			trans	-94.9	161.9	165.3	-62.9	153.5	-88	0	0	110.1
930	E	33.7	Very low	33.5	Very low	164 Å²	164	155 Å²	155	77%	0.766	76%	0.759	S	S	*	*				164	146.6	118.3	-91.1	168.5	-144.1	0	0	114.3
931	H	35.5	Very low	33.3	Very low	158 Å²	158	159.1 Å²	159.1	73%	0.731	77%	0.771	S	S	*	*			trans	45.5	148	147.4	-68.8	-61.9	0	0	0	123.6
932	T	30.4	Very low	33.1	Very low	105 Å²	105	158.6 Å²	158.6	64%	0.644	77%	0.77	S	S	*	*			cis	-163.1	162.4	-42.7	2.5	0	0	0	0	110.5
933	T	32.6	Very low	32.8	Very low	124 Å²	124	156 Å²	156	76%	0.761	77%	0.766	S	S	*	*			trans	57.1	114	155	47.6	0	0	0	0	122.8
934	R	27.8	Very low	32.4	Very low	233 Å²	233	156.6 Å²	156.6	88%	0.879	78%	0.779	S	S	*	*				38.8	158.1	115.1	-102.2	-171.1	170.3	-161.7	-1.8	121.6
935	P	36	Very low	32.1	Very low	112 Å²	112	157.1 Å²	157.1	73%	0.727	78%	0.782	S	S	*	*			cis	-137.3	-159.3	2.5	42.2	-21.7	0	0	0	115.5
936	L	28.6	Very low	31.9	Very low	157 Å²	157	159.5 Å²	159.5	82%	0.822	79%	0.787	S	S	*	*			trans	-72.6	153.8	-179.3	-74.2	60	0	0	0	114.7
937	S	30.3	Very low	31.5	Very low	123 Å²	123	157.9 Å²	157.9	86%	0.86	79%	0.785	S	S	*	*			trans	-154.8	133.3	139.3	59.4	0	0	0	0	112.3
938	T	28.9	Very low	31.3	Very low	121 Å²	121	156.9 Å²	156.9	74%	0.742	79%	0.787	S	S	*	*			trans	-86	154.7	171.7	-40.4	0	0	0	0	110.8
939	I	31.7	Very low	31	Very low	152 Å²	152	149.9 Å²	149.9	78%	0.779	78%	0.775	S	S	*	*			trans	-165	147.8	150.2	-105.7	151.1	0	0	0	110.9	Y941	I939-Y941 HydrophobicContact CG2-CE2 4.49Å
940	D	26.1	Very low	30.8	Very low	141 Å²	141	146.6 Å²	146.6	75%	0.754	77%	0.771	S	S	*	*			trans	-94.6	154.3	178.3	-61.6	-80.3	0	0	0	113.4
941	Y	33.1	Very low	30.7	Very low	212 Å²	212	146.8 Å²	146.8	83%	0.831	78%	0.777	S	S	*	*			trans	-138.2	110.1	151.5	-88.7	-85.1	0	0	0	106.9	I939	I939-Y941 HydrophobicContact CG2-CE2 4.49Å
942	Q	31.2	Very low	30.3	Very low	156 Å²	156	148.9 Å²	148.9	73%	0.729	78%	0.784	S	S	*	*			cis	90.7	114.6	46.2	-159.2	-171.5	51.1	0	0	113.4
943	T	29.5	Very low	30.5	Very low	109 Å²	109	152 Å²	152	67%	0.669	80%	0.795	S	S	*	*			trans	51.3	115.4	161.1	48.5	0	0	0	0	121.3
944	T	31.2	Very low	30.4	Very low	148 Å²	148	149.7 Å²	149.7	91%	0.908	80%	0.797	S	S	*	*				-121.8	119.8	118.7	45.4	0	0	0	0	109.4
945	Q	31.7	Very low	30.6	Very low	174 Å²	174	142.3 Å²	142.3	81%	0.813	79%	0.793	S	S	*	*			trans	-84.8	141.5	160.6	-73.3	-172.6	-5.7	0	0	108.3
946	N	32.8	Very low	30.1	Very low	146 Å²	146	143.3 Å²	143.3	78%	0.781	79%	0.793	S	S	*	*			trans	-160	115.5	137.4	-109	-30.7	0	0	0	112.4
947	I	29.4	Very low	30.2	Very low	137 Å²	137	142.5 Å²	142.5	70%	0.703	79%	0.788	S	S	*	*			trans	22.8	104.9	133.5	-48.9	171	0	0	0	115.6
948	F	31.2	Very low	30.1	Very low	208 Å²	208	141.8 Å²	141.8	91%	0.912	78%	0.779	S	S	*	*				-156.9	115.6	122.4	-106.7	-67.5	0	0	0	110.4
949	S	28	Very low	30.4	Very low	94 Å²	94	141.5 Å²	141.5	66%	0.657	78%	0.782	S	S	*	*			trans	-89.6	162	178.4	53.3	0	0	0	0	112.1
950	S	26.6	Very low	30.3	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	78%	0.777	S	S	*	*			trans	52.9	88.6	152.3	58.3	0	0	0	0	118.2
951	L	32.1	Very low	30.4	Very low	168 Å²	168	140.9 Å²	140.9	88%	0.88	78%	0.779	S	S	*	*			trans	-122.1	117.9	139.9	-92.6	173.9	0	0	0	109.9
952	K	27.9	Very low	30.3	Very low	203 Å²	203	139.1 Å²	139.1	88%	0.883	78%	0.778	S	S	*	*			trans	-127.6	92.4	-175	175.1	-169.7	172.9	-172.8	0	107.4
953	L	34.7	Very low	30.4	Very low	169 Å²	169	138.4 Å²	138.4	89%	0.885	78%	0.779	S	S	*	*			trans	-110	106	175.6	-80.2	165.2	0	0	0	109.6
954	G	28.8	Very low	30.5	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	79%	0.786	S	S	*	*			trans	-113.8	144.5	157.2	0	0	0	0	0	107.8
955	G	32.6	Very low	30.4	Very low	78 Å²	78	139.2 Å²	139.2	80%	0.804	78%	0.779	S	S	*	*			trans	-163.6	82.7	-175.9	0	0	0	0	0	111.2
956	D	25.9	Very low	30.5	Very low	133 Å²	133	137.8 Å²	137.8	71%	0.711	78%	0.781	S	S	*	*			trans	-77.8	142.3	153.5	-69.9	-57.9	0	0	0	108.2
957	L	31.2	Very low	30.3	Very low	139 Å²	139	136.8 Å²	136.8	73%	0.728	78%	0.776	S	S	*	*				169.4	105.9	128.8	-89.8	167.8	0	0	0	112.4
958	T	27.5	Very low	30.2	Very low	109 Å²	109	139 Å²	139	67%	0.669	78%	0.783	S	S	*	*			trans	15.9	118.7	137	56.4	0	0	0	0	121
959	S	34.5	Very low	30	Very low	115 Å²	115	134.7 Å²	134.7	80%	0.804	78%	0.779	S	S	*	*			trans	-150.6	92.5	144.3	57.4	0	0	0	0	107.6
960	I	30.5	Very low	30	Very low	130 Å²	130	137.7 Å²	137.7	67%	0.667	79%	0.787	S	S	*	*				69	112.5	70.5	-60.7	-179.9	0	0	0	112.6
961	N	28.9	Very low	30	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	79%	0.791	S	S	*	*			trans	58.5	129	163.6	-57.1	-7.5	0	0	0	117
962	E	30.1	Very low	30	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.822	79%	0.787	S	S	*	*				-157.7	165.9	75.2	-126.5	171	-155.5	0	0	115.5
963	L	33.1	Very low	30.2	Very low	141 Å²	141	136.1 Å²	136.1	74%	0.738	78%	0.778	S	S	*	*			trans	65.5	80.7	161.6	-59.3	175.1	0	0	0	120.7
964	L	32.7	Very low	30.3	Very low	157 Å²	157	133.9 Å²	133.9	82%	0.822	77%	0.774	S	S	*	*				43.6	135.1	124.4	-68	167.2	0	0	0	122.3
965	P	27.9	Very low	30.7	Very low	117 Å²	117	137.6 Å²	137.6	76%	0.76	77%	0.774	S	S	*	*			trans	-84.9	148.2	173.1	35.7	-34.4	0	0	0	113.4
966	V	34.4	Very low	30.6	Very low	143 Å²	143	140.1 Å²	140.1	87%	0.867	77%	0.774	S	S	*	*			trans	-122.6	135.2	167.6	179.1	0	0	0	0	109.3
967	N	28.1	Very low	31.1	Very low	126 Å²	126	144.9 Å²	144.9	67%	0.674	78%	0.782	S	S	*	*			trans	-79.6	165.9	-172.8	-65.6	-41.5	0	0	0	113.7
968	H	27.4	Very low	31.1	Very low	184 Å²	184	144.3 Å²	144.3	85%	0.852	79%	0.786	S	S	*	*			trans	65.5	85.3	160.4	-46.7	-58.7	0	0	0	117.8
969	S	28.1	Very low	31.4	Very low	116 Å²	116	150.9 Å²	150.9	81%	0.811	80%	0.799	S	S	*	*			trans	-147.1	149.8	142.5	50.6	0	0	0	0	110.3
970	N	27.5	Very low	31.2	Very low	157 Å²	157	149.3 Å²	149.3	84%	0.84	79%	0.793	S	S	*	*			trans	-73.7	136.6	-169.8	-65.3	-30.7	0	0	0	111.7	I972	N970-I972 PolarHBondContact O-N 3.27Å
971	I	26.9	Very low	31.2	Very low	158 Å²	158	148.2 Å²	148.2	81%	0.81	80%	0.803	S	S	*	*			trans	-66.6	116.6	169.5	-64.2	175	0	0	0	108.1	D973	I971-D973 PolarHBondContact O-N 2.85Å
972	I	32	Very low	31.4	Very low	156 Å²	156	146.9 Å²	146.9	80%	0.8	80%	0.801	S	S	*	*			trans	-86.4	107.4	176.3	-61.6	175.2	0	0	0	108.1	N970	N970-I972 PolarHBondContact O-N 3.27Å
973	D	32.4	Very low	31.5	Very low	128 Å²	128	145.2 Å²	145.2	68%	0.684	80%	0.803	S	S	*	*			trans	-63.2	137.3	170.8	-88.6	-43.4	0	0	0	111.3	I971 I975	I971-D973 PolarHBondContact O-N 2.85Å; D973-I975 PolarHBondContact O-N 2.74Å
974	P	35.9	Very low	31.4	Very low	123 Å²	123	142 Å²	142	80%	0.799	80%	0.804	S	S	*	*			trans	-71.5	100.5	173.9	28.9	-32.9	0	0	0	110.4
975	I	36.3	Very low	31.3	Very low	154 Å²	154	139.3 Å²	139.3	79%	0.79	80%	0.798	S	S	*	*			trans	-51	140.7	-174.3	-66.9	174.2	0	0	0	113.2	D973	D973-I975 PolarHBondContact O-N 2.74Å
976	T	31.3	Very low	31.4	Very low	132 Å²	132	141.6 Å²	141.6	81%	0.81	80%	0.804	S	S	*	*			trans	-54.5	145.5	-178.6	44.4	0	0	0	0	114.2
977	R	35.5	Very low	31.4	Very low	232 Å²	232	141.7 Å²	141.7	88%	0.875	80%	0.798	S	S	*	*			trans	-125.8	141.5	164.5	-81.8	-171.2	170.2	-167.1	-1.1	110.9
978	P	31.9	Very low	31.5	Very low	127 Å²	127	142.9 Å²	142.9	83%	0.825	80%	0.804	S	S	*	*			trans	-65.7	137.7	174.2	27.9	-34.1	0	0	0	110.8	A980	P978-A980 PolarHBondContact O-N 2.84Å
979	R	34.5	Very low	31.8	Very low	248 Å²	248	142.2 Å²	142.2	94%	0.936	81%	0.806	S	S	*	*			trans	-80.9	79.1	-170.1	-164.4	-178.9	-168.6	-176	3.5	112.2
980	A	29.8	Very low	32.1	Very low	82 Å²	82	142.7 Å²	142.7	68%	0.678	80%	0.799	S	S	*	*			trans	-59.4	148.6	159.4	0	0	0	0	0	110.1	P978 T982	P978-A980 PolarHBondContact O-N 2.84Å; A980-T982 PolarHBondContact O-N 3.26Å
981	A	30.6	Very low	32.7	Very low	106 Å²	106	141.1 Å²	141.1	88%	0.876	79%	0.79	S	S	*	*			trans	-70.6	120.4	-170.4	0	0	0	0	0	113.3
982	T	33.4	Very low	33.4	Very low	121 Å²	121	143 Å²	143	74%	0.742	79%	0.792	S	S	*	*			trans	-150.4	113.5	162.5	14.2	0	0	0	0	111.3	A980 G984	A980-T982 PolarHBondContact O-N 3.26Å; T982-G984 PolarHBondContact O-N 2.9Å; T982-G984 VanDerWaalsContact O-N 3.14Å
983	T	32.4	Very low	33.9	Very low	142 Å²	142	143.8 Å²	143.8	87%	0.871	79%	0.793	S	S	*	*			trans	-71.5	95.8	160	35.2	0	0	0	0	108.9	S985	T983-S985 PolarHBondContact O-N 2.84Å; T983-S985 VanDerWaalsContact O-N 3.1Å
984	G	30.2	Very low	34.2	Very low	73 Å²	73	146 Å²	146	75%	0.753	79%	0.792	S	S	*	*			trans	-81.3	81.5	-173.3	0	0	0	0	0	114.4	T982	T982-G984 PolarHBondContact O-N 2.9Å; T982-G984 VanDerWaalsContact O-N 3.14Å
985	S	31.9	Very low	34.5	Very low	101 Å²	101	145.7 Å²	145.7	71%	0.706	78%	0.782	S	S	*	*	S	Bend	trans	-118.3	91.8	162.3	58.6	0	0	0	0	110.5	T983 L987	T983-S985 PolarHBondContact O-N 2.84Å; T983-S985 VanDerWaalsContact O-N 3.1Å; S985-L987 PolarHBondContact O-N 3.38Å
986	N	28.7	Very low	34.7	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	77%	0.768	S	S	*	*	S	Bend	trans	38.2	70.1	161	-60.8	-3	0	0	0	118.2
987	L	35.3	Very low	35.5	Very low	145 Å²	145	139.2 Å²	139.2	76%	0.759	75%	0.753	S	S	*	*			trans	-155.9	29.4	166.3	-115.5	162.7	0	0	0	113.8	S985 L989	S985-L987 PolarHBondContact O-N 3.38Å; L987-L989 PolarHBondContact O-N 3.16Å; L987-L989 VanDerWaalsContact O-N 3.13Å
988	L	29.1	Very low	36	Very low	152 Å²	152	132 Å²	132	80%	0.796	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	61.9	-158	-145.8	169	0	0	0	114
989	L	33.3	Very low	36.7	Very low	169 Å²	169	130.9 Å²	130.9	89%	0.885	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.2	-22.9	171	-140.5	75.3	0	0	0	116.7	L987	L987-L989 PolarHBondContact O-N 3.16Å; L987-L989 VanDerWaalsContact O-N 3.13Å
990	L	36	Very low	37.4	Very low	127 Å²	127	123.4 Å²	123.4	67%	0.665	70%	0.7	S	S	*	*	S	Bend	trans	-97.5	-11.9	-162.1	-89.6	158.5	0	0	0	117.9
991	N	40.1	Very low	38.6	Very low	123 Å²	123	125.6 Å²	125.6	66%	0.658	70%	0.696	S	S	*	*	H	α-helix	trans	-95.9	-14.5	-163.9	-77.8	-15.4	0	0	0	117.2	L995	N991-L995 PolarHBondContact O-N 3.49Å
992	K	40.8	Very low	39.3	Very low	197 Å²	197	126.1 Å²	126.1	86%	0.857	68%	0.683	S	S	*	*	H	α-helix	trans	-68.1	-41.2	-176.5	-86.6	-172.3	173.6	-178.5	0	114
993	Q	42.8	Very low	39.9	Very low	173 Å²	173	127 Å²	127	81%	0.808	68%	0.677	S	S	*	*	H	α-helix	trans	-71.1	-39.2	179.7	-74.1	173.7	-26.5	0	0	112	S996 T997	Q993-S996 WeakPolarHBondContact O-CB 3.37Å; Q993-S996 PolarHBondContact O-N 2.91Å; Q993-T997 PolarHBondContact O-N 2.72Å; Q993-T997 PolarHBondContact O-OG1 2.99Å
994	R	39.4	Very low	40.5	Very low	176 Å²	176	126.9 Å²	126.9	66%	0.664	67%	0.668	S	S	*	*	H	α-helix	trans	-69	-34.7	-179.5	-58.3	-173.2	75.5	178	3.7	113	S996 T997 V998	R994-S996 VanDerWaalsContact C-N 3.32Å; R994-S996 PolarHBondContact O-N 3.17Å; R994-T997 PolarHBondContact O-N 3.03Å; R994-T997 PolarHBondContact O-OG1 3.41Å; R994-V998 WeakPolarHBondContact O-CG2 3.39Å; R994-V998 PolarHBondContact O-N 3.03Å
995	L	41	Very low	41.5	Very low	115 Å²	115	128 Å²	128	60%	0.602	66%	0.657	S	S	*	*	H	α-helix	trans	-67.3	-34.3	177.3	-160	73.3	0	0	0	112.1	N991 V998 L999	N991-L995 PolarHBondContact O-N 3.49Å; L995-V998 PolarHBondContact O-N 2.77Å; L995-L999 HydrophobicContact CD1-CD1 4.41Å; L995-L999 HydrophobicContact CG-CD1 4.01Å; L995-L999 WeakPolarHBondContact O-CD1 3.32Å; L995-L999 PolarHBondContact O-N 3.05Å
996	S	41.5	Very low	41.8	Very low	68 Å²	68	132.3 Å²	132.3	48%	0.476	66%	0.658	S	S	.	*	H	α-helix	trans	-63.6	-48	175.2	-178.1	0	0	0	0	112.2	Q993 R994 L999 N1000	Q993-S996 WeakPolarHBondContact O-CB 3.37Å; Q993-S996 PolarHBondContact O-N 2.91Å; R994-S996 VanDerWaalsContact C-N 3.32Å; R994-S996 PolarHBondContact O-N 3.17Å; S996-L999 PolarHBondContact O-N 3.34Å; S996-N1000 WeakPolarHBondContact O-CB 3.46Å; S996-N1000 PolarHBondContact O-N 3.01Å; S996-N1000 PolarHBondContact O-ND2 2.98Å
997	T	47.3	Very low	42.5	Very low	82 Å²	82	131 Å²	131	50%	0.503	64%	0.644	S	S	.	*	H	α-helix	trans	-64.8	-39	176.3	27.1	0	0	0	0	112.4	Q993 R994 N1000 H1001	Q993-T997 PolarHBondContact O-N 2.72Å; Q993-T997 PolarHBondContact O-OG1 2.99Å; R994-T997 PolarHBondContact O-N 3.03Å; R994-T997 PolarHBondContact O-OG1 3.41Å; T997-N1000 PolarHBondContact O-N 2.83Å; T997-H1001 WeakPolarHBondContact O-CB 3.49Å; T997-H1001 PolarHBondContact O-CD2 2.87Å; T997-H1001 PolarHBondContact O-N 2.83Å
998	V	46.2	Very low	43	Very low	80 Å²	80	131.3 Å²	131.3	49%	0.485	64%	0.64	S	S	.	*	H	α-helix	trans	-65	-45.2	175.6	170.3	0	0	0	0	112.1	R994 L995 N1000 H1001 L1002	R994-V998 WeakPolarHBondContact O-CG2 3.39Å; R994-V998 PolarHBondContact O-N 3.03Å; L995-V998 PolarHBondContact O-N 2.77Å; V998-N1000 VanDerWaalsContact C-N 3.35Å; V998-N1000 PolarHBondContact O-N 2.9Å; V998-H1001 PolarHBondContact O-N 3.48Å; V998-L1002 HydrophobicContact CG1-CD1 4.11Å; V998-L1002 WeakPolarHBondContact O-CB 3.17Å; V998-L1002 PolarHBondContact O-N 3.01Å
999	L	47.2	Very low	43.7	Very low	105 Å²	105	131.5 Å²	131.5	55%	0.55	63%	0.634	S	S	.	*	H	α-helix	trans	-62.4	-41.4	175.3	-100.2	83.2	0	0	0	112	L995 S996 L1002 K1003	L995-L999 HydrophobicContact CD1-CD1 4.41Å; L995-L999 HydrophobicContact CG-CD1 4.01Å; L995-L999 WeakPolarHBondContact O-CD1 3.32Å; L995-L999 PolarHBondContact O-N 3.05Å; S996-L999 PolarHBondContact O-N 3.34Å; L999-L1002 PolarHBondContact O-N 2.65Å; L999-K1003 VanDerWaalsContact O-CB 3.28Å; L999-K1003 WeakPolarHBondContact O-CB 3.38Å; L999-K1003 PolarHBondContact O-N 3.09Å
1000	N	49.2	Very low	44.3	Very low	91 Å²	91	128.6 Å²	128.6	49%	0.487	62%	0.616	S	S	.	*	H	α-helix	trans	-66.9	-40.3	178.3	-74.9	-27.8	0	0	0	111.9	S996 T997 V998 K1003 M1004	S996-N1000 WeakPolarHBondContact O-CB 3.46Å; S996-N1000 PolarHBondContact O-N 3.01Å; S996-N1000 PolarHBondContact O-ND2 2.98Å; T997-N1000 PolarHBondContact O-N 2.83Å; V998-N1000 VanDerWaalsContact C-N 3.35Å; V998-N1000 PolarHBondContact O-N 2.9Å; N1000-K1003 PolarHBondContact O-N 3.35Å; N1000-M1004 WeakPolarHBondContact O-CB 3.33Å; N1000-M1004 WeakPolarHBondContact O-CG 3.48Å; N1000-M1004 PolarHBondContact O-N 2.72Å
1001	H	53.6	Low	44.7	Very low	128 Å²	128	125.5 Å²	125.5	59%	0.593	61%	0.605	S	S	*	*	H	α-helix	trans	-62.8	-45.5	172.9	-95.3	-83.8	0	0	0	112.7	T997 V998 K1003 M1004 N1005	T997-H1001 WeakPolarHBondContact O-CB 3.49Å; T997-H1001 PolarHBondContact O-CD2 2.87Å; T997-H1001 PolarHBondContact O-N 2.83Å; V998-H1001 PolarHBondContact O-N 3.48Å; H1001-K1003 PolarHBondContact O-N 3.14Å; H1001-M1004 PolarHBondContact O-N 3.16Å; H1001-N1005 VanDerWaalsContact O-CB 3.31Å; H1001-N1005 WeakPolarHBondContact O-CB 3.34Å; H1001-N1005 PolarHBondContact O-N 3.39Å
1002	L	46.8	Very low	44.8	Very low	116 Å²	116	124.6 Å²	124.6	61%	0.607	60%	0.6	S	S	*	*	H	α-helix	trans	-58.9	-46.9	175.2	-90.2	161.8	0	0	0	111.6	V998 L999 N1005 W1006	V998-L1002 HydrophobicContact CG1-CD1 4.11Å; V998-L1002 WeakPolarHBondContact O-CB 3.17Å; V998-L1002 PolarHBondContact O-N 3.01Å; L999-L1002 PolarHBondContact O-N 2.65Å; L1002-N1005 PolarHBondContact O-N 2.9Å; L1002-W1006 WeakPolarHBondContact O-CB 3.23Å; L1002-W1006 PolarHBondContact O-N 3.32Å
1003	K	45.4	Very low	45	Very low	140 Å²	140	121 Å²	121	61%	0.609	59%	0.589	S	S	*	*	H	α-helix	trans	-62.6	-46	-179.8	-161.5	172.6	-174.6	-179.2	0	111.7	L999 N1000 H1001 W1006 F1007	L999-K1003 VanDerWaalsContact O-CB 3.28Å; L999-K1003 WeakPolarHBondContact O-CB 3.38Å; L999-K1003 PolarHBondContact O-N 3.09Å; N1000-K1003 PolarHBondContact O-N 3.35Å; H1001-K1003 PolarHBondContact O-N 3.14Å; K1003-W1006 PolarHBondContact O-N 2.87Å; K1003-F1007 WeakPolarHBondContact O-CD2 3.47Å; K1003-F1007 PolarHBondContact O-N 3.02Å
1004	M	45.7	Very low	44.8	Very low	139 Å²	139	121 Å²	121	69%	0.685	59%	0.586	S	S	*	*	H	α-helix	trans	-66.3	-38.7	177.9	-67.3	-68.3	-89.8	0	0	112.5	N1000 H1001 K1008	N1000-M1004 WeakPolarHBondContact O-CB 3.33Å; N1000-M1004 WeakPolarHBondContact O-CG 3.48Å; N1000-M1004 PolarHBondContact O-N 2.72Å; H1001-M1004 PolarHBondContact O-N 3.16Å; M1004-K1008 PolarHBondContact O-N 3.02Å; M1004-K1008 VanDerWaalsContact O-N 3.13Å
1005	N	49.5	Very low	44.8	Very low	98 Å²	98	120.5 Å²	120.5	52%	0.524	59%	0.589	S	S	.	*	H	α-helix	trans	-69.4	-34	177	-77.2	-12.9	0	0	0	112.6	H1001 L1002 K1008 K1009	H1001-N1005 VanDerWaalsContact O-CB 3.31Å; H1001-N1005 WeakPolarHBondContact O-CB 3.34Å; H1001-N1005 PolarHBondContact O-N 3.39Å; L1002-N1005 PolarHBondContact O-N 2.9Å; N1005-K1008 PolarHBondContact O-N 2.96Å; N1005-K1009 PolarHBondContact O-N 3.07Å
1006	W	40	Very low	44.7	Very low	191 Å²	191	121.5 Å²	121.5	72%	0.723	59%	0.593	S	S	*	*	H	α-helix	trans	-65.5	-43.6	177	-140.1	48.4	0	0	0	111.7	L1002 K1003 K1009 Q1010	L1002-W1006 WeakPolarHBondContact O-CB 3.23Å; L1002-W1006 PolarHBondContact O-N 3.32Å; K1003-W1006 PolarHBondContact O-N 2.87Å; W1006-K1009 PolarHBondContact O-N 3.07Å; W1006-Q1010 PolarHBondContact O-N 3.22Å
1007	F	43.2	Very low	44.5	Very low	135 Å²	135	123.2 Å²	123.2	59%	0.592	61%	0.606	S	S	*	*	H	α-helix	trans	-63.4	-41.8	173.7	-85.2	-78.1	0	0	0	112.7	K1003 K1009 Q1010 S1011	K1003-F1007 WeakPolarHBondContact O-CD2 3.47Å; K1003-F1007 PolarHBondContact O-N 3.02Å; F1007-K1009 VanDerWaalsContact C-N 3.28Å; F1007-K1009 PolarHBondContact O-N 3.32Å; F1007-Q1010 PolarHBondContact O-N 3.47Å; F1007-S1011 PolarHBondContact O-N 3.39Å; F1007-S1011 VanDerWaalsContact O-N 3.16Å
1008	K	44.3	Very low	43.9	Very low	153 Å²	153	127.1 Å²	127.1	67%	0.665	62%	0.618	S	S	*	*	H	α-helix	trans	-62.8	-28.8	174.5	-98.1	-174.6	174.1	-179.3	0	114	M1004 N1005 S1011	M1004-K1008 PolarHBondContact O-N 3.02Å; M1004-K1008 VanDerWaalsContact O-N 3.13Å; N1005-K1008 PolarHBondContact O-N 2.96Å; K1008-S1011 PolarHBondContact O-OG 2.87Å
1009	K	44.4	Very low	43.2	Very low	155 Å²	155	133 Å²	133	67%	0.674	63%	0.633	S	S	*	*	H	α-helix	trans	-76.3	-37.5	177.3	-127.2	173.3	-175.6	176	0	112.1	N1005 W1006 F1007 I1013	N1005-K1009 PolarHBondContact O-N 3.07Å; W1006-K1009 PolarHBondContact O-N 3.07Å; F1007-K1009 VanDerWaalsContact C-N 3.28Å; F1007-K1009 PolarHBondContact O-N 3.32Å; K1009-I1013 WeakPolarHBondContact O-CG1 3.05Å; K1009-I1013 PolarHBondContact O-N 2.78Å
1010	Q	45.6	Very low	42.5	Very low	109 Å²	109	136.3 Å²	136.3	51%	0.509	65%	0.651	S	S	.	*	H	α-helix	trans	-69.2	-35.5	175.5	-67.8	-164.7	7.9	0	0	113.2	W1006 F1007 N1012 K1014	W1006-Q1010 PolarHBondContact O-N 3.22Å; F1007-Q1010 PolarHBondContact O-N 3.47Å; Q1010-N1012 VanDerWaalsContact C-N 3.3Å; Q1010-N1012 PolarHBondContact O-N 3.11Å; Q1010-K1014 PolarHBondContact O-N 3.21Å
1011	S	44.8	Very low	41.5	Very low	62 Å²	62	139.6 Å²	139.6	43%	0.434	67%	0.668	S	S	.	*	H	α-helix	trans	-66.3	-27.8	179.7	60.1	0	0	0	0	114.1	F1007 K1008	F1007-S1011 PolarHBondContact O-N 3.39Å; F1007-S1011 VanDerWaalsContact O-N 3.16Å; K1008-S1011 PolarHBondContact O-OG 2.87Å
1012	N	42.6	Very low	40.4	Very low	104 Å²	104	139.1 Å²	139.1	56%	0.556	67%	0.674	S	S	*	*	H	α-helix	trans	-86.1	-35.1	179.6	-74.5	3.7	0	0	0	112.7	Q1010 K1014 K1015	Q1010-N1012 VanDerWaalsContact C-N 3.3Å; Q1010-N1012 PolarHBondContact O-N 3.11Å; N1012-K1014 VanDerWaalsContact C-N 3.31Å; N1012-K1014 PolarHBondContact O-N 3.49Å; N1012-K1015 PolarHBondContact O-N 2.91Å; N1012-K1015 VanDerWaalsContact O-N 3.14Å
1013	I	44.3	Very low	39.8	Very low	120 Å²	120	139.9 Å²	139.9	62%	0.615	68%	0.684	S	S	*	*	H	α-helix	trans	-64.4	-37.1	179.1	-67.9	169.4	0	0	0	111	K1009 K1015 I1016	K1009-I1013 WeakPolarHBondContact O-CG1 3.05Å; K1009-I1013 PolarHBondContact O-N 2.78Å; I1013-K1015 PolarHBondContact O-N 3.26Å; I1013-K1015 VanDerWaalsContact O-N 3.16Å; I1013-I1016 PolarHBondContact O-N 3.48Å
1014	K	39.8	Very low	39.2	Very low	174 Å²	174	138.9 Å²	138.9	76%	0.757	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	5	175.4	-71.1	-167.2	173.5	-172.3	0	115.5	Q1010 N1012	Q1010-K1014 PolarHBondContact O-N 3.21Å; N1012-K1014 VanDerWaalsContact C-N 3.31Å; N1012-K1014 PolarHBondContact O-N 3.49Å
1015	K	38.9	Very low	38.8	Very low	166 Å²	166	140.6 Å²	140.6	72%	0.722	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.3	-6.4	175.9	-78	-167.8	171.2	-170.7	0	115.1	N1012 I1013	N1012-K1015 PolarHBondContact O-N 2.91Å; N1012-K1015 VanDerWaalsContact O-N 3.14Å; I1013-K1015 PolarHBondContact O-N 3.26Å; I1013-K1015 VanDerWaalsContact O-N 3.16Å
1016	I	38.4	Very low	38	Very low	135 Å²	135	144.6 Å²	144.6	69%	0.692	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-19.7	-173.3	-66.4	169.6	0	0	0	112.1	I1013 Q1018	I1013-I1016 PolarHBondContact O-N 3.48Å; I1016-Q1018 VanDerWaalsContact C-N 3.3Å; I1016-Q1018 PolarHBondContact O-N 3.42Å
1017	S	36.3	Very low	37.8	Very low	105 Å²	105	142.9 Å²	142.9	73%	0.734	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	24.8	-176.8	63.4	0	0	0	0	115.4
1018	Q	36.1	Very low	37.5	Very low	164 Å²	164	142.7 Å²	142.7	77%	0.766	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	3.1	-178.3	-77.4	-169.8	-37.5	0	0	115.3	I1016	I1016-Q1018 VanDerWaalsContact C-N 3.3Å; I1016-Q1018 PolarHBondContact O-N 3.42Å
1019	Y	31.2	Very low	37.2	Very low	204 Å²	204	142.4 Å²	142.4	80%	0.8	72%	0.723	S	S	*	*			trans	-128.8	97	176.1	-83.4	-92	0	0	0	111.3
1020	N	31.7	Very low	36.8	Very low	173 Å²	173	140.8 Å²	140.8	93%	0.925	73%	0.731	S	S	*	*			trans	-175	90.9	147.6	-96.9	-20.8	0	0	0	109.2
1021	L	29.5	Very low	36.5	Very low	160 Å²	160	140.7 Å²	140.7	84%	0.838	74%	0.743	S	S	*	*			trans	-137.3	155.2	170.8	-160.4	76.6	0	0	0	108.2
1022	T	29.3	Very low	36.3	Very low	119 Å²	119	146 Å²	146	73%	0.73	76%	0.764	S	S	*	*			trans	72.4	106.5	176.1	70.6	0	0	0	0	117.4
1023	T	35.4	Very low	36.2	Very low	132 Å²	132	146.9 Å²	146.9	81%	0.81	77%	0.769	S	S	*	*			trans	-178	82.1	137.5	18.1	0	0	0	0	107.4
1024	T	32	Very low	36.1	Very low	119 Å²	119	147.4 Å²	147.4	73%	0.73	77%	0.773	S	S	*	*				58.1	102.7	101.2	59.7	0	0	0	0	115.3
1025	N	36.7	Very low	36.1	Very low	174 Å²	174	144.8 Å²	144.8	93%	0.93	77%	0.768	S	S	*	*			trans	-154.1	150.1	132.9	-111.7	-30.7	0	0	0	111.7
1026	K	32.8	Very low	36.2	Very low	183 Å²	183	142.1 Å²	142.1	80%	0.796	77%	0.766	S	S	*	*			trans	-103.3	147.4	179.7	-56.5	171.3	-177.8	174.8	0	109.3
1027	H	36.4	Very low	36.2	Very low	154 Å²	154	144.1 Å²	144.1	71%	0.713	77%	0.769	S	S	*	*				-179.3	166.3	109.4	-117	-91.7	0	0	0	114.6
1028	N	37.4	Very low	36.3	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	77%	0.772	S	S	*	*			trans	68.8	105.2	166.1	-57.7	-6.9	0	0	0	115.6
1029	I	36.9	Very low	36.5	Very low	147 Å²	147	148.2 Å²	148.2	75%	0.754	77%	0.774	S	S	*	*				78.9	97.4	54.9	-58	161.6	0	0	0	112.7
1030	S	37.6	Very low	36.7	Very low	121 Å²	121	144.7 Å²	144.7	85%	0.846	77%	0.769	S	S	*	*				-169.3	124.6	124.6	59.3	0	0	0	0	109.8
1031	S	38.2	Very low	37.3	Very low	108 Å²	108	141 Å²	141	76%	0.755	75%	0.754	S	S	*	*			trans	-109.6	149.9	-178.3	53.1	0	0	0	0	112.3
1032	I	40.2	Very low	37.7	Very low	172 Å²	172	140.2 Å²	140.2	88%	0.882	75%	0.751	S	S	*	*			trans	-140.7	143.9	155	-94.5	155.4	0	0	0	107.6
1033	N	41.9	Very low	38.1	Very low	123 Å²	123	139.2 Å²	139.2	66%	0.658	75%	0.749	S	S	*	*			trans	-87.6	166.8	-176.2	-58.9	-33.4	0	0	0	110.8
1034	D	41.6	Very low	38.2	Very low	131 Å²	131	142.7 Å²	142.7	70%	0.701	75%	0.753	S	S	*	*				-167.5	145.3	62.5	-92.1	-52.3	0	0	0	110
1035	N	40.4	Very low	38.4	Very low	119 Å²	119	140.6 Å²	140.6	64%	0.636	76%	0.755	S	S	*	*				57.6	128.2	77.3	-61.9	-50	0	0	0	113.5
1036	T	40.8	Very low	38.5	Very low	111 Å²	111	137.2 Å²	137.2	68%	0.681	75%	0.745	S	S	*	*			cis	-158.8	136.7	9.9	-1.7	0	0	0	0	114.5
1037	K	38.6	Very low	38.8	Very low	177 Å²	177	135 Å²	135	77%	0.77	74%	0.741	S	S	*	*				45.7	144.3	128	-77.9	177	-179.1	162.2	0	124.5
1038	K	38.4	Very low	38.8	Very low	181 Å²	181	138.6 Å²	138.6	79%	0.787	75%	0.748	S	S	*	*			trans	74.3	150	150.8	-77.3	177.1	178	-170.7	0	116
1039	Q	40.2	Very low	38.8	Very low	173 Å²	173	141.2 Å²	141.2	81%	0.808	75%	0.753	S	S	*	*			cis	-148.9	172.2	6.1	-107.9	157.2	-40.5	0	0	106.9
1040	N	35.5	Very low	38.8	Very low	130 Å²	130	139.7 Å²	139.7	70%	0.695	75%	0.751	S	S	*	*			cis	-165.9	155.1	-32.5	-157.6	69.8	0	0	0	107.3
1041	P	43.1	Very low	38.8	Very low	96 Å²	96	141.5 Å²	141.5	62%	0.623	75%	0.746	S	S	*	*			trans	-91.3	-160.2	179.7	38.4	-38.4	0	0	0	113.9
1042	D	38.4	Very low	38.6	Very low	143 Å²	143	142.6 Å²	142.6	77%	0.765	74%	0.742	S	S	*	*			trans	91	149.7	177.5	-50.8	-36.1	0	0	0	115.1
1043	S	36.8	Very low	38.6	Very low	98 Å²	98	142.1 Å²	142.1	69%	0.685	74%	0.742	S	S	*	*			cis	-155.6	144.4	9.2	117.7	0	0	0	0	115
1044	F	37.4	Very low	38.2	Very low	206 Å²	206	143.7 Å²	143.7	90%	0.904	75%	0.745	S	S	*	*			trans	46.7	128.3	146.2	-73.7	-92.4	0	0	0	125.6
1045	G	36.9	Very low	38	Very low	75 Å²	75	143 Å²	143	77%	0.773	74%	0.741	S	S	*	*			trans	133	141.8	134.6	0	0	0	0	0	116.7
1046	S	38.3	Very low	37.8	Very low	102 Å²	102	143.7 Å²	143.7	71%	0.713	75%	0.745	S	S	*	*			cis	-167.3	130.8	-18.1	-167.6	0	0	0	0	111.3
1047	I	39.3	Very low	37.4	Very low	137 Å²	137	145.6 Å²	145.6	70%	0.703	75%	0.751	S	S	*	*			trans	54.1	125.2	148	-65	171.7	0	0	0	117.8
1048	R	37.2	Very low	37.4	Very low	230 Å²	230	144.6 Å²	144.6	87%	0.868	75%	0.754	S	S	*	*				-161.7	171.8	50.3	-153.9	160.1	-91.7	-161.6	-4.6	113.5
1049	K	36.9	Very low	37.2	Very low	186 Å²	186	142.9 Å²	142.9	81%	0.809	75%	0.753	S	S	*	*			trans	-64.1	167.9	-179.6	-51.9	174	-178.8	179	0	112.8
1050	T	37.4	Very low	36.9	Very low	115 Å²	115	143.5 Å²	143.5	71%	0.706	76%	0.756	S	S	*	*			cis	-164.3	143.5	47.7	44.5	0	0	0	0	117.9
1051	H	36.9	Very low	36.7	Very low	159 Å²	159	147.7 Å²	147.7	74%	0.736	76%	0.764	S	S	*	*			trans	65.2	131.6	138.7	-79.1	-75.9	0	0	0	125.6
1052	L	35.6	Very low	36.3	Very low	131 Å²	131	148.5 Å²	148.5	69%	0.686	77%	0.767	S	S	*	*			trans	59.4	123.6	138.4	-69.6	162.1	0	0	0	119
1053	N	38.2	Very low	35.9	Very low	162 Å²	162	148.9 Å²	148.9	87%	0.866	76%	0.764	S	S	*	*				-144.2	176	63.2	-104.2	-24.8	0	0	0	115.1
1054	Q	33.7	Very low	35.7	Very low	155 Å²	155	149.7 Å²	149.7	72%	0.724	77%	0.765	S	S	*	*			trans	-131.5	156.2	-165.9	-157.4	-175	-85.2	0	0	110.6
1055	D	37.5	Very low	35.3	Very low	118 Å²	118	147.7 Å²	147.7	63%	0.631	76%	0.756	S	S	*	*			trans	141.6	143.2	134.9	-75.1	-13	0	0	0	117.4
1056	N	37	Very low	35.2	Very low	133 Å²	133	150 Å²	150	71%	0.711	76%	0.758	S	S	*	*			trans	68	89	153.8	-56.4	-19	0	0	0	120.4
1057	N	33.3	Very low	34.8	Very low	150 Å²	150	152.8 Å²	152.8	80%	0.802	76%	0.761	S	S	*	*			trans	-84.1	132.1	139.9	-74.6	-16.3	0	0	0	109.1
1058	D	38.6	Very low	34.5	Very low	156 Å²	156	151.8 Å²	151.8	83%	0.834	76%	0.757	S	S	*	*			trans	-113.2	101.2	167.2	-81.9	-47.5	0	0	0	109.5	E1060	D1058-E1060 PolarHBondContact O-N 3.13Å
1059	D	33.6	Very low	34.5	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	74%	0.744	S	S	*	*			trans	-82.3	104.9	179	-76.5	-51.6	0	0	0	111.9	Y1061	D1059-Y1061 PolarHBondContact O-N 3.39Å
1060	E	33.8	Very low	34.4	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	74%	0.739	S	S	*	*			trans	-75.7	105.2	174.3	-167.7	172.3	-144.2	0	0	111	D1058 V1062	D1058-E1060 PolarHBondContact O-N 3.13Å; E1060-V1062 PolarHBondContact O-N 2.85Å
1061	Y	31.6	Very low	34.2	Very low	217 Å²	217	143.4 Å²	143.4	85%	0.851	74%	0.737	S	S	*	*			trans	-55.2	121.3	-177.4	-114	-111.2	0	0	0	113.4	D1059	D1059-Y1061 PolarHBondContact O-N 3.39Å
1062	V	34.7	Very low	34.1	Very low	114 Å²	114	145.1 Å²	145.1	69%	0.691	74%	0.743	S	S	*	*			trans	-116.6	91.4	171.7	179.4	0	0	0	0	109.8	E1060 T1064	E1060-V1062 PolarHBondContact O-N 2.85Å; V1062-T1064 HydrophobicContact CG1-CG2 4.01Å; V1062-T1064 PolarHBondContact O-N 2.97Å
1063	E	28.7	Very low	33.9	Very low	151 Å²	151	143.1 Å²	143.1	71%	0.706	74%	0.74	S	S	*	*			trans	-77.5	106.7	177.2	-159.6	176.8	-130.1	0	0	110.1	F1065	E1063-F1065 HydrophobicContact CG-CD2 4.35Å; E1063-F1065 HydrophobicContact CG-CE2 3.64Å; E1063-F1065 HydrophobicContact CG-CZ 4.06Å
1064	T	32.9	Very low	33.6	Very low	114 Å²	114	142.4 Å²	142.4	70%	0.699	74%	0.736	S	S	*	*			trans	-116.8	113	176.6	45.7	0	0	0	0	111.6	V1062 P1066	V1062-T1064 HydrophobicContact CG1-CG2 4.01Å; V1062-T1064 PolarHBondContact O-N 2.97Å; T1064-P1066 VanDerWaalsContact O-CD 3.28Å; T1064-P1066 WeakPolarHBondContact O-CD 3.38Å
1065	F	30	Very low	33.6	Very low	165 Å²	165	142.2 Å²	142.2	72%	0.724	74%	0.74	S	S	*	*			trans	-89.1	111.8	172.8	-69.9	-81.2	0	0	0	111.3	E1063 M1067	E1063-F1065 HydrophobicContact CG-CD2 4.35Å; E1063-F1065 HydrophobicContact CG-CE2 3.64Å; E1063-F1065 HydrophobicContact CG-CZ 4.06Å; F1065-M1067 PolarHBondContact O-N 3.13Å
1066	P	33.5	Very low	33.4	Very low	123 Å²	123	144.1 Å²	144.1	80%	0.799	75%	0.749	S	S	*	*			trans	-76.9	89	172.1	31.8	-34	0	0	0	110.2	T1064 N1068	T1064-P1066 VanDerWaalsContact O-CD 3.28Å; T1064-P1066 WeakPolarHBondContact O-CD 3.38Å; P1066-N1068 PolarHBondContact O-N 3.36Å
1067	M	29.9	Very low	33.4	Very low	161 Å²	161	146.6 Å²	146.6	79%	0.793	76%	0.757	S	S	*	*			trans	-70.4	98.7	172	-172	173.7	-76.2	0	0	109.7	F1065 I1069	F1065-M1067 PolarHBondContact O-N 3.13Å; M1067-I1069 HydrophobicContact CG-CD1 4.41Å; M1067-I1069 HydrophobicContact CG-CG1 4.07Å; M1067-I1069 PolarHBondContact O-N 3.28Å; M1067-I1069 HydrophobicContact SD-CD1 4.45Å
1068	N	33.2	Very low	33.5	Very low	115 Å²	115	147.7 Å²	147.7	62%	0.615	76%	0.757	S	S	*	*			trans	-75.8	108	177.2	-175.6	8.9	0	0	0	110.3	P1066 N1070	P1066-N1068 PolarHBondContact O-N 3.36Å; N1068-N1070 WeakPolarHBondContact OD1-CB 3.38Å; N1068-N1070 PolarHBondContact OD1-N 3.33Å
1069	I	37.3	Very low	33.1	Very low	115 Å²	115	146.8 Å²	146.8	59%	0.59	75%	0.751	S	S	*	*			trans	-95.1	-5.7	-177.1	-66.2	173.3	0	0	0	112	M1067 T1071	M1067-I1069 HydrophobicContact CG-CD1 4.41Å; M1067-I1069 HydrophobicContact CG-CG1 4.07Å; M1067-I1069 PolarHBondContact O-N 3.28Å; M1067-I1069 HydrophobicContact SD-CD1 4.45Å; I1069-T1071 PolarHBondContact O-N 3.39Å
1070	N	34.5	Very low	32.8	Very low	132 Å²	132	146.7 Å²	146.7	71%	0.706	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-1.6	-178.2	-68.3	8.9	0	0	0	114.1	N1068 F1072	N1068-N1070 WeakPolarHBondContact OD1-CB 3.38Å; N1068-N1070 PolarHBondContact OD1-N 3.33Å; N1070-F1072 VanDerWaalsContact C-N 3.34Å; N1070-F1072 PolarHBondContact O-N 2.73Å
1071	T	34.8	Very low	32.8	Very low	109 Å²	109	144.4 Å²	144.4	67%	0.669	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-2.5	-178.6	-26.1	0	0	0	0	114.3	I1069	I1069-T1071 PolarHBondContact O-N 3.39Å
1072	F	33.9	Very low	32.7	Very low	194 Å²	194	142.3 Å²	142.3	85%	0.851	75%	0.746	S	S	*	*	S	Bend	trans	-120.9	-3.1	-176.5	-89.5	-79.8	0	0	0	116	N1070	N1070-F1072 VanDerWaalsContact C-N 3.34Å; N1070-F1072 PolarHBondContact O-N 2.73Å
1073	S	31.3	Very low	32.4	Very low	89 Å²	89	143.3 Å²	143.3	62%	0.622	75%	0.753	S	S	*	*	S	Bend	trans	-91.8	-4	-169.2	-54.9	0	0	0	0	116.2
1074	N	32.4	Very low	32.5	Very low	147 Å²	147	143.1 Å²	143.1	79%	0.786	76%	0.757	S	S	*	*	S	Bend	trans	-107.1	21	-165.9	-74.2	19.6	0	0	0	115.4
1075	N	33.7	Very low	32.2	Very low	151 Å²	151	144.1 Å²	144.1	81%	0.807	76%	0.762	S	S	*	*	S	Bend	trans	-142.3	25.5	-174.7	-93.4	-32.2	0	0	0	114.8
1076	L	33.8	Very low	32.3	Very low	159 Å²	159	145.5 Å²	145.5	83%	0.832	77%	0.769	S	S	*	*			trans	-120.2	17.7	-177.2	-141.2	74.7	0	0	0	115.9
1077	E	35.2	Very low	32	Very low	185 Å²	185	144.7 Å²	144.7	86%	0.864	76%	0.763	S	S	*	*	S	Bend	trans	-106.2	57.8	167.4	-67.1	-167.3	151.3	0	0	111.2
1078	H	36.3	Very low	32	Very low	173 Å²	173	143.5 Å²	143.5	80%	0.801	76%	0.76	S	S	*	*	S	Bend	trans	-163.7	-15.7	162.4	-117.8	-64.6	0	0	0	118.1	T1080	H1078-T1080 PolarHBondContact O-N 2.71Å; H1078-T1080 VanDerWaalsContact O-N 3.08Å
1079	L	30.4	Very low	32	Very low	137 Å²	137	146.3 Å²	146.3	72%	0.717	77%	0.774	S	S	*	*			trans	-82.7	85.5	-179.1	-90.1	82.2	0	0	0	113.3	I1081	L1079-I1081 HydrophobicContact CD2-CD1 3.93Å; L1079-I1081 HydrophobicContact CG-CD1 4.42Å; L1079-I1081 PolarHBondContact O-N 3.37Å
1080	T	27.4	Very low	31.6	Very low	142 Å²	142	144 Å²	144	87%	0.871	77%	0.769	S	S	*	*			trans	-80.3	100.4	153.4	47.3	0	0	0	0	109.6	H1078	H1078-T1080 PolarHBondContact O-N 2.71Å; H1078-T1080 VanDerWaalsContact O-N 3.08Å
1081	I	33.3	Very low	31.4	Very low	139 Å²	139	144.3 Å²	144.3	71%	0.713	77%	0.77	S	S	*	*			trans	-122.4	143.9	171	-64	-172.8	0	0	0	110	L1079	L1079-I1081 HydrophobicContact CD2-CD1 3.93Å; L1079-I1081 HydrophobicContact CG-CD1 4.42Å; L1079-I1081 PolarHBondContact O-N 3.37Å
1082	Q	30.4	Very low	31.1	Very low	173 Å²	173	147.3 Å²	147.3	81%	0.808	78%	0.776	S	S	*	*			trans	-72.1	160.1	-163.5	-65.6	153.7	-45.9	0	0	114	N1084	Q1082-N1084 PolarHBondContact O-N 3.35Å
1083	T	26.9	Very low	31	Very low	136 Å²	136	148.3 Å²	148.3	83%	0.834	78%	0.776	S	S	*	*			trans	-52.6	120.6	164.9	47.4	0	0	0	0	112
1084	N	30.6	Very low	30.7	Very low	147 Å²	147	152.7 Å²	152.7	79%	0.786	79%	0.789	S	S	*	*			trans	-155.9	148	156.1	-101.2	-38.5	0	0	0	111.2	Q1082	Q1082-N1084 PolarHBondContact O-N 3.35Å
1085	T	28.2	Very low	30.9	Very low	134 Å²	134	151.7 Å²	151.7	82%	0.822	78%	0.782	S	S	*	*			trans	-77.1	130.5	-176.3	48.4	0	0	0	0	112.3
1086	F	30.4	Very low	30.8	Very low	195 Å²	195	156.1 Å²	156.1	86%	0.855	80%	0.804	S	S	*	*			trans	-122.3	154.6	166.8	-94.4	-99.3	0	0	0	111.5
1087	P	29.1	Very low	30.7	Very low	105 Å²	105	156 Å²	156	68%	0.682	80%	0.803	S	S	*	*			trans	-106.2	172.1	-136.9	38.9	-37.6	0	0	0	116.6	L1089	P1087-L1089 PolarHBondContact O-N 3.36Å
1088	N	28.1	Very low	30.4	Very low	137 Å²	137	154.4 Å²	154.4	73%	0.733	80%	0.8	S	S	*	*			trans	-51.3	115	173.5	-179.6	23.1	0	0	0	113.5
1089	L	33.3	Very low	30.1	Very low	173 Å²	173	153.4 Å²	153.4	91%	0.906	80%	0.799	S	S	*	*			trans	-103.6	70.1	172.2	-83.3	167.1	0	0	0	111.2	P1087	P1087-L1089 PolarHBondContact O-N 3.36Å
1090	S	30.6	Very low	30.1	Very low	68 Å²	68	154.4 Å²	154.4	48%	0.476	80%	0.804	S	S	.	*			trans	-90.7	135.4	167.8	61.8	0	0	0	0	111.2
1091	N	28.8	Very low	30.2	Very low	137 Å²	137	155.1 Å²	155.1	73%	0.733	80%	0.8	S	S	*	*	S	Bend	trans	75.5	151	176.2	-51.3	-38.3	0	0	0	116.4
1092	H	29.9	Very low	30	Very low	172 Å²	172	156.2 Å²	156.2	80%	0.796	81%	0.806	S	S	*	*			trans	65.6	93.8	179.4	-52.1	93.1	0	0	0	116.5
1093	Y	30.8	Very low	30	Very low	215 Å²	215	155 Å²	155	84%	0.843	81%	0.806	S	S	*	*				-150.8	114.1	111.7	-96.7	-67.6	0	0	0	110	I1095	Y1093-I1095 HydrophobicContact CD1-CD1 3.75Å; Y1093-I1095 HydrophobicContact CD1-CG1 4.17Å; Y1093-I1095 HydrophobicContact CE1-CD1 3.81Å
1094	M	25.4	Very low	30.3	Very low	182 Å²	182	156.5 Å²	156.5	90%	0.897	80%	0.804	S	S	*	*			trans	-127.9	96.9	168.9	-172	-111.2	-65	0	0	106.8
1095	I	35.6	Very low	30.2	Very low	126 Å²	126	157.3 Å²	157.3	65%	0.646	81%	0.805	S	S	*	*			trans	-138	107.5	178.9	-60.9	-177.6	0	0	0	108.6	Y1093	Y1093-I1095 HydrophobicContact CD1-CD1 3.75Å; Y1093-I1095 HydrophobicContact CD1-CG1 4.17Å; Y1093-I1095 HydrophobicContact CE1-CD1 3.81Å
1096	L	32.6	Very low	30.4	Very low	243 Å²	243	159.4 Å²	159.4	100%	1.272	80%	0.803	S	S	*	*			trans	59	0	164	-62	168.9	0	0	0	117.5

Retrieved 1,096 of 1,096 residues in 297.1 ms (Link to these results)

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