A0A087XAI6_POEFO Loading...

MutS homolog 4

AlphaFold DB , UniProt , Accession A0A087XAI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 828 aa.

						>A0A087XAI6_POEFO|A0A087XAI6
MSSSDTSTVRFPGGTPRLRRTPGSTGPTGTSVSSVSTISGASVIVAVVEGRGLARGEIGMASIDLKCPELILSQFADTGTYAKVITRLHILMPMEILMPDTASEKGKWTKLFKLITENFPSVNLTAIQRKYYNEKKGLEYIQQLCAPEFATVLMEVQAKYYCLATAAALLKYLEFIQSSFYAAKSLKVIFKGSEQTTMIDSASAANLELVVNNRDNRSDYTLLGVLNHTKTPGGARRLRSNILEPLLDVDTITTRLDAIQELLQNEELFFGLNSAIGHFLDIDRLLSVLVQIPKQETVHAAQAAESKITHVIQLKHTLDLVPQLREVLKTCNTALLKAYSATLEDNRFDIILEQIKTVVNYDTTYFKGSLNLRTQKCYAVRPNINAFLDIARRVYTEIVDDIAGLVNKLGEKYGFPLRTSFSTSRGFFVQMKLDGVVLPEGKLPPEFIKVTKQKNSYGFTTADLIKMNGRCDEALREIFHMSYVVICQLLTTIHEHIHCLYKLSDTVSMLDMLLSLANACTISDYVRPEFTDTLAIKQGRHPILERMARQQPVSNNTYISEGSNFVIVTGPNMSGKSTYLKQVALCQIMAQIGSFVPAEYASFRIADQIFTRIGVDDDFETNSSTFMLEMKEISYIIHNASDRSLTIIDELGRGTSAEEGIGICHSVCEFLLGLKAFTLFATHFLELCQLESLYPNVENQHMEVEHTRNRDSGAEQVVYTYLLSRGCSDERQYGLRAAEITSLPPSIIQEAKLVACKVSQQLLAKRPADPETQRQRAVYHLATRLLQTARNSRLDPESLRMYLKGLKKQYEAELQTAAPARPTDTEEE
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	28.5	Very low	241 Å²	241	155.8 Å²	155.8	100%	1.187	87%	0.871	S	S	*	*				0	122	0	-91.9	168.6	145.1	0	0	108
2	S	32.3	Very low	29	Very low	120 Å²	120	153 Å²	153	84%	0.839	87%	0.865	S	S	*	*			trans	43.3	109.7	162.8	60.8	0	0	0	0	120.3
3	S	23.9	Very low	28.7	Very low	127 Å²	127	147.7 Å²	147.7	89%	0.888	87%	0.865	S	S	*	*			trans	-149.6	116.4	142.6	48.5	0	0	0	0	110.2
4	S	33.3	Very low	28.3	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	86%	0.862	S	S	*	*			trans	-89.1	137.3	163.4	47.8	0	0	0	0	108.7
5	D	28.6	Very low	28.3	Very low	157 Å²	157	142.3 Å²	142.3	84%	0.84	86%	0.859	S	S	*	*			trans	-165.1	156.1	138.2	-110.6	-30.4	0	0	0	115.1
6	T	30.8	Very low	28.7	Very low	122 Å²	122	140.7 Å²	140.7	75%	0.748	85%	0.853	S	S	*	*			trans	-72.9	158.6	-170.2	47.1	0	0	0	0	115.6
7	S	25.4	Very low	28.5	Very low	122 Å²	122	145.9 Å²	145.9	85%	0.853	85%	0.854	S	S	*	*			trans	179.8	133.4	135.5	44.2	0	0	0	0	114.8
8	T	27.1	Very low	28.5	Very low	135 Å²	135	146.4 Å²	146.4	83%	0.828	85%	0.851	S	S	*	*			trans	-92.5	137.9	169.2	40.3	0	0	0	0	111.5
9	V	27.6	Very low	28.3	Very low	137 Å²	137	152.3 Å²	152.3	83%	0.83	86%	0.858	S	S	*	*			trans	-147.9	132.3	154.9	-175.9	0	0	0	0	113.8
10	R	25.9	Very low	28.1	Very low	236 Å²	236	155.6 Å²	155.6	89%	0.891	86%	0.856	S	S	*	*			trans	-38.9	153.5	167.8	-68	163.8	171.3	-177.3	-3.3	119
11	F	25.8	Very low	27.9	Very low	207 Å²	207	154.1 Å²	154.1	91%	0.908	85%	0.852	S	S	*	*			trans	-107.8	145.1	155.9	-80	-83.7	0	0	0	111.4
12	P	34.2	Very low	28.4	Very low	122 Å²	122	148.5 Å²	148.5	79%	0.792	83%	0.833	S	S	*	*			trans	-93.7	155.4	179.8	36.5	-31.5	0	0	0	113.1
13	G	25.1	Very low	28	Very low	84 Å²	84	146.5 Å²	146.5	87%	0.866	83%	0.832	S	S	*	*			trans	-91.9	168.9	174.6	0	0	0	0	0	114.6
14	G	23.9	Very low	28.1	Very low	80 Å²	80	146.4 Å²	146.4	83%	0.825	83%	0.831	S	S	*	*			trans	174	103.4	168.6	0	0	0	0	0	113.3
15	T	28.7	Very low	27.7	Very low	134 Å²	134	147.6 Å²	147.6	82%	0.822	83%	0.834	S	S	*	*			trans	-74.4	156.8	162.9	49.4	0	0	0	0	111.2
16	P	33.7	Very low	27.4	Very low	117 Å²	117	143.7 Å²	143.7	76%	0.76	83%	0.831	S	S	*	*				-154.8	148.4	95.8	36.2	-15.8	0	0	0	118.6
17	R	26.3	Very low	27.6	Very low	230 Å²	230	144 Å²	144	87%	0.868	84%	0.835	S	S	*	*			trans	55	113.6	133.9	-68.2	-177	172.5	-177.5	-1.7	123.8
18	L	27.9	Very low	27.7	Very low	155 Å²	155	145 Å²	145	81%	0.812	84%	0.836	S	S	*	*				42.6	125.4	114.8	-82	155.2	0	0	0	121.6
19	R	24.5	Very low	27.7	Very low	257 Å²	257	142.4 Å²	142.4	97%	0.97	84%	0.836	S	S	*	*			trans	-142.2	139.9	139.1	-130.8	177.4	-176.8	-175.5	0.5	111.6
20	R	23.8	Very low	27.6	Very low	219 Å²	219	142.4 Å²	142.4	83%	0.826	84%	0.836	S	S	*	*			trans	-92.6	137.8	-163.5	-88.5	176.6	165.2	177.9	-5.3	114
21	T	24.9	Very low	27.7	Very low	124 Å²	124	136.1 Å²	136.1	76%	0.761	83%	0.828	S	S	*	*				41.4	175.7	129.2	63.8	0	0	0	0	122.3
22	P	43.2	Very low	27.7	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	82%	0.823	S	S	*	*			cis	-139	174.6	-13.8	22.1	3.3	0	0	0	116.4
23	G	23.6	Very low	27.7	Very low	78 Å²	78	132.4 Å²	132.4	80%	0.804	83%	0.825	S	S	*	*				121.7	114.2	128.4	0	0	0	0	0	119.7
24	S	24.9	Very low	27.9	Very low	125 Å²	125	133.1 Å²	133.1	87%	0.874	82%	0.817	S	S	*	*				168.3	144.4	120	-176.2	0	0	0	0	111.6
25	T	26	Very low	28.1	Very low	134 Å²	134	135.5 Å²	135.5	82%	0.822	82%	0.815	S	S	*	*			trans	-106.8	137.4	-157	42.6	0	0	0	0	114.9
26	G	23.2	Very low	28	Very low	76 Å²	76	134 Å²	134	78%	0.784	81%	0.81	S	S	*	*			trans	66	166.5	144	0	0	0	0	0	120.4
27	P	33.5	Very low	27.6	Very low	128 Å²	128	135.1 Å²	135.1	83%	0.831	82%	0.815	S	S	*	*			cis	-127.2	168.3	11.7	39.3	-22	0	0	0	115.9
28	T	28.9	Very low	27.9	Very low	144 Å²	144	131.7 Å²	131.7	88%	0.883	81%	0.812	S	S	*	*			trans	-62.5	139.8	169.5	43.4	0	0	0	0	114.2
29	G	25.5	Very low	28.2	Very low	79 Å²	79	128.7 Å²	128.7	81%	0.814	80%	0.804	S	S	*	*			trans	-143.1	123.2	162.7	0	0	0	0	0	110.3
30	T	27.3	Very low	28.9	Very low	137 Å²	137	118.8 Å²	118.8	84%	0.84	78%	0.782	S	S	*	*			trans	-84.2	146.7	-170.8	-10.4	0	0	0	0	113
31	S	27.5	Very low	30.1	Very low	104 Å²	104	110.5 Å²	110.5	73%	0.727	76%	0.761	S	S	*	*			trans	62.3	117.5	151.3	62.5	0	0	0	0	120.5
32	V	25.6	Very low	32.1	Very low	133 Å²	133	105.3 Å²	105.3	81%	0.806	73%	0.73	S	S	*	*				-149.9	116.6	109.3	-177.7	0	0	0	0	108.2
33	S	34.6	Very low	33.6	Very low	119 Å²	119	100.5 Å²	100.5	83%	0.832	70%	0.698	S	S	*	*			trans	-85.8	113.5	165.3	47.8	0	0	0	0	109.3
34	S	27.9	Very low	36.5	Very low	99 Å²	99	96.8 Å²	96.8	69%	0.692	66%	0.659	S	S	*	*			trans	-170	140.1	151.6	52.2	0	0	0	0	111.5
35	V	28.9	Very low	39.6	Very low	130 Å²	130	90.8 Å²	90.8	79%	0.788	62%	0.618	S	S	*	*	S	Bend	trans	98.6	93.5	167.4	-164.3	0	0	0	0	114.8
36	S	26.1	Very low	42.8	Very low	101 Å²	101	84.4 Å²	84.4	71%	0.706	58%	0.578	S	S	*	*			trans	8.8	106.4	152.9	53.7	0	0	0	0	116.8	I38	S36-I38 PolarHBondContact O-N 2.92Å
37	T	25.6	Very low	46.1	Very low	142 Å²	142	80.8 Å²	80.8	87%	0.871	54%	0.541	S	S	*	.			trans	-48.4	107.7	160.2	37.9	0	0	0	0	110.7	S39	T37-S39 PolarHBondContact O-N 3.36Å
38	I	32.2	Very low	48.8	Very low	157 Å²	157	74.7 Å²	74.7	81%	0.805	50%	0.502	S	S	*	.			trans	-55.4	118.1	155.5	-64.7	167.4	0	0	0	105.7	S36 G40	S36-I38 PolarHBondContact O-N 2.92Å; I38-G40 PolarHBondContact O-N 3.39Å
39	S	35.1	Very low	51.6	Low	92 Å²	92	69.3 Å²	69.3	64%	0.643	47%	0.466	S	S	*	.			trans	-53.8	111.4	175.8	-177.6	0	0	0	0	108.6	T37 A41 K66	T37-S39 PolarHBondContact O-N 3.36Å; S39-A41 PolarHBondContact O-N 3.36Å; S39-K66 PolarHBondContact OG-NZ 2.93Å
40	G	39.2	Very low	54.1	Low	49 Å²	49	65.7 Å²	65.7	51%	0.505	43%	0.429	S	S	.	.			trans	-59.2	132.4	-178.4	0	0	0	0	0	111.1	I38 S42 K66	I38-G40 PolarHBondContact O-N 3.39Å; G40-S42 PolarHBondContact O-N 3.2Å; G40-K66 PolarHBondContact O-NZ 3.27Å
41	A	48.7	Very low	56.3	Low	46 Å²	46	66.1 Å²	66.1	38%	0.38	42%	0.415	S	S	.	.			trans	-48.9	127.3	175.5	0	0	0	0	0	111.4	S39 M92 M94	S39-A41 PolarHBondContact O-N 3.36Å; A41-M92 WeakPolarHBondContact CB-O 3.42Å; A41-M94 HydrophobicContact CB-CB 4.39Å
42	S	65.9	Low	58.4	Low	15 Å²	15	64.5 Å²	64.5	11%	0.105	42%	0.415	C	S	.	.			trans	-121.7	8.4	-179.4	47.7	0	0	0	0	113.6	G40 D64 L65 K66	G40-S42 PolarHBondContact O-N 3.2Å; S42-D64 VanDerWaalsContact CB-OD1 3.27Å; S42-D64 WeakPolarHBondContact CB-OD1 3.45Å; S42-D64 PolarHBondContact OG-OD1 3.41Å; S42-L65 WeakPolarHBondContact O-CB 2.87Å; S42-L65 WeakPolarHBondContact O-CG 3.38Å; S42-L65 PolarHBondContact O-N 3.43Å; S42-K66 WeakPolarHBondContact OG-CD 3.48Å
43	V	76.4	Confident	59.7	Low	22 Å²	22	67.3 Å²	67.3	13%	0.133	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.6	-172.7	-175.6	0	0	0	0	110.5	V45 I63 D64 P93 M94	V43-V45 HydrophobicContact CG1-CG2 3.94Å; V43-I63 CarbonylContact C-O 3.56Å; V43-I63 WeakPolarHBondContact CA-O 3.42Å; V43-D64 HydrophobicContact CG2-CB 4.18Å; V43-P93 CarbonylContact O-C 3.57Å; V43-P93 WeakPolarHBondContact O-CA 3.41Å; V43-M94 PolarHBondContact O-N 3.18Å
44	I	84.1	Confident	60.9	Low	0 Å²	0	62.8 Å²	62.8	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133	170.3	-58.8	178.5	0	0	0	108.3	S62 I63 L65 E95 L97 L169 L173 Q177	I44-S62 CarbonylContact O-C 3.53Å; I44-S62 VanDerWaalsContact O-CA 3.28Å; I44-S62 WeakPolarHBondContact O-CA 3.4Å; I44-I63 HydrophobicContact CB-CG2 4.26Å; I44-I63 PolarHBondContact N-O 3.06Å; I44-I63 PolarHBondContact O-N 3.32Å; I44-L65 HydrophobicContact CD1-CD1 3.95Å; I44-L65 HydrophobicContact CD1-CD2 4.26Å; I44-L65 HydrophobicContact CD1-CG 4.31Å; I44-L65 HydrophobicContact CG1-CD1 4.34Å; I44-E95 HydrophobicContact CG1-CB 4.42Å; I44-E95 HydrophobicContact CG2-CB 4.43Å; I44-L97 HydrophobicContact CG2-CD1 3.84Å; I44-L97 HydrophobicContact CG2-CD2 4.43Å; I44-L97 HydrophobicContact CG2-CG 3.98Å; I44-L169 HydrophobicContact CB-CD1 4.19Å; I44-L169 HydrophobicContact CG2-CD1 3.6Å; I44-L173 HydrophobicContact CD1-CD2 3.84Å; I44-Q177 HydrophobicContact CD1-CG 4.48Å
45	V	90.3	Very high	62.8	Low	0 Å²	0	63.9 Å²	63.9	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.8	-175.7	-176.5	0	0	0	0	110.4	V43 V47 M60 A61 L88 L91 P93 E95 I96 L97	V43-V45 HydrophobicContact CG1-CG2 3.94Å; V45-V47 HydrophobicContact CG1-CG2 3.84Å; V45-M60 HydrophobicContact CG1-CE 3.78Å; V45-A61 CarbonylContact C-O 3.58Å; V45-A61 WeakPolarHBondContact CA-O 3.22Å; V45-L88 HydrophobicContact CB-CD2 4.34Å; V45-L88 HydrophobicContact CG1-CD2 3.93Å; V45-L88 HydrophobicContact CG2-CD2 4.5Å; V45-L91 HydrophobicContact CG2-CB 4.45Å; V45-L91 HydrophobicContact CG2-CD1 4.07Å; V45-P93 HydrophobicContact CB-CB 4.34Å; V45-P93 HydrophobicContact CG2-CB 3.72Å; V45-P93 HydrophobicContact CG2-CG 4.45Å; V45-E95 PolarHBondContact N-O 2.99Å; V45-I96 CarbonylContact O-C 3.42Å; V45-I96 VanDerWaalsContact O-CA 3.27Å; V45-I96 WeakPolarHBondContact O-CA 3.17Å; V45-L97 PolarHBondContact O-N 3.4Å
46	A	92.3	Very high	64.5	Low	0 Å²	0	58.5 Å²	58.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.8	167	0	0	0	0	0	110.9	M60 A61 L97 T165 L169	A46-M60 CarbonylContact O-C 3.59Å; A46-M60 VanDerWaalsContact O-CA 3.25Å; A46-M60 WeakPolarHBondContact O-CA 3.42Å; A46-A61 PolarHBondContact N-O 3.21Å; A46-A61 PolarHBondContact O-N 3.33Å; A46-L97 CarbonylContact C-O 3.25Å; A46-L97 WeakPolarHBondContact CA-O 3.5Å; A46-L97 HydrophobicContact CB-CB 4.01Å; A46-L97 HydrophobicContact CB-CD1 4.33Å; A46-T165 HydrophobicContact CB-CG2 4.38Å; A46-L169 HydrophobicContact CB-CB 3.86Å; A46-L169 HydrophobicContact CB-CD1 4.37Å
47	V	92.3	Very high	67	Low	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	138.1	-178.4	-174	0	0	0	0	110.8	V45 I58 G59 M60 V84 I96 L97 P99 L111	V45-V47 HydrophobicContact CG1-CG2 3.84Å; V47-I58 HydrophobicContact CG1-CG2 3.88Å; V47-G59 WeakPolarHBondContact CA-O 3.36Å; V47-M60 HydrophobicContact CG1-CG 4.17Å; V47-M60 HydrophobicContact CG2-CE 3.99Å; V47-M60 HydrophobicContact CG2-CG 4.11Å; V47-V84 HydrophobicContact CG1-CG1 4.46Å; V47-I96 HydrophobicContact CG2-CG2 4.23Å; V47-L97 PolarHBondContact N-O 3.4Å; V47-P99 WeakPolarHBondContact O-CD 3.37Å; V47-L111 HydrophobicContact CG1-CD2 3.92Å
48	V	90.4	Very high	69.9	Low	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	137.3	173.9	77.8	0	0	0	0	111.2	I58 G59 P99 Y132 Y161 T165	V48-I58 WeakPolarHBondContact O-CA 3.46Å; V48-G59 PolarHBondContact N-O 3.33Å; V48-G59 PolarHBondContact O-N 3.14Å; V48-P99 HydrophobicContact CG2-CG 4.24Å; V48-Y132 HydrophobicContact CB-CD1 4.18Å; V48-Y132 HydrophobicContact CB-CE1 4.14Å; V48-Y132 HydrophobicContact CG2-CD1 4.18Å; V48-Y132 HydrophobicContact CG2-CE1 4.44Å; V48-Y161 HydrophobicContact CG1-CD1 3.89Å; V48-Y161 HydrophobicContact CG1-CG 4.29Å; V48-T165 HydrophobicContact CB-CG2 3.68Å; V48-T165 HydrophobicContact CG1-CG2 3.47Å; V48-T165 VanDerWaalsContact CG1-CG2 3.47Å
49	E	87.3	Confident	72.6	Confident	31 Å²	31	43.2 Å²	43.2	15%	0.145	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.4	170.6	-172.2	-171.2	-176.3	0	0	110.7	I58 Y81 L111	E49-I58 HydrophobicContact CB-CD1 3.98Å; E49-I58 HydrophobicContact CG-CD1 3.84Å; E49-Y81 HydrophobicContact CG-CE1 4.42Å; E49-Y81 PolarHBondContact OE1-OH 2.95Å; E49-Y81 PolarHBondContact OE2-OH 3.24Å; E49-L111 HydrophobicContact CB-CD2 4.15Å
50	G	79.1	Confident	75.3	Confident	3 Å²	3	39 Å²	39	3%	0.031	23%	0.228	C	C	.	.			trans	-67.3	156.3	172.5	0	0	0	0	0	114.5	A54 E57 Y161	G50-A54 CarbonylContact C-O 3.58Å; G50-A54 WeakPolarHBondContact CA-O 3.46Å; G50-E57 PolarHBondContact N-O 2.97Å; G50-Y161 VanDerWaalsContact CA-OH 3.26Å; G50-Y161 WeakPolarHBondContact CA-OH 3.49Å
51	R	72.8	Confident	77.8	Confident	145 Å²	145	36.7 Å²	36.7	55%	0.547	20%	0.204	S	C	.	.			trans	-120	157.8	-178.5	-64.9	-174.5	-178.9	-176.4	0.8	111.2	L53 A54 T101 Y161	R51-L53 PolarHBondContact O-N 3.06Å; R51-A54 PolarHBondContact O-N 3.04Å; R51-T101 PolarHBondContact NH2-OG1 3.35Å; R51-Y161 PolarHBondContact N-OH 3.32Å
52	G	72.7	Confident	79.6	Confident	70 Å²	70	34.8 Å²	34.8	72%	0.722	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	67.2	-123.1	176.9	0	0	0	0	0	112.2	A54 R55	G52-A54 VanDerWaalsContact C-N 3.26Å; G52-A54 PolarHBondContact O-N 2.97Å; G52-R55 WeakPolarHBondContact O-CB 3.41Å; G52-R55 PolarHBondContact O-N 2.89Å
53	L	51.4	Low	80.2	Confident	193 Å²	193	34.1 Å²	34.1	100%	1.01	18%	0.183	S	C	*	.	G	3₁₀ helix	trans	-70.2	-20.8	179.4	-68.7	169.8	0	0	0	113.4	R51	R51-L53 PolarHBondContact O-N 3.06Å
54	A	60.2	Low	79.8	Confident	23 Å²	23	35 Å²	35	19%	0.19	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-97.7	19.7	179	0	0	0	0	0	112.8	G50 R51 G52 G56 E57 Y161	G50-A54 CarbonylContact C-O 3.58Å; G50-A54 WeakPolarHBondContact CA-O 3.46Å; R51-A54 PolarHBondContact O-N 3.04Å; G52-A54 VanDerWaalsContact C-N 3.26Å; G52-A54 PolarHBondContact O-N 2.97Å; A54-G56 PolarHBondContact O-N 2.99Å; A54-E57 WeakPolarHBondContact O-CB 3.37Å; A54-E57 PolarHBondContact O-N 3.25Å; A54-E57 VanDerWaalsContact O-N 3.12Å; A54-Y161 HydrophobicContact CB-CE2 3.79Å; A54-Y161 VanDerWaalsContact CB-OH 3.3Å; A54-Y161 WeakPolarHBondContact CB-OH 3.38Å
55	R	67	Low	78.9	Confident	123 Å²	123	38.3 Å²	38.3	46%	0.464	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	128.5	178.2	-170.3	174.6	-177.5	178.8	-9.5	110	G52 S287	G52-R55 WeakPolarHBondContact O-CB 3.41Å; G52-R55 PolarHBondContact O-N 2.89Å; R55-S287 PolarHBondContact NH1-OG 3.49Å
56	G	64.6	Low	77.1	Confident	16 Å²	16	44 Å²	44	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.7	-14.6	-169.5	0	0	0	0	0	113.4	A54 D77	A54-G56 PolarHBondContact O-N 2.99Å; G56-D77 PolarHBondContact O-N 3.21Å
57	E	79.5	Confident	75.4	Confident	79 Å²	79	47.3 Å²	47.3	37%	0.369	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	131.8	165.5	-67	-173.3	173.3	0	0	110.2	G50 A54 Y161	G50-E57 PolarHBondContact N-O 2.97Å; A54-E57 WeakPolarHBondContact O-CB 3.37Å; A54-E57 PolarHBondContact O-N 3.25Å; A54-E57 VanDerWaalsContact O-N 3.12Å; E57-Y161 HydrophobicContact CB-CD2 4.18Å; E57-Y161 HydrophobicContact CB-CE2 4.21Å; E57-Y161 WeakPolarHBondContact OE2-CE2 3.1Å
58	I	86.4	Confident	73.8	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.1	-179.6	-53	-66.1	0	0	0	108.6	V47 V48 E49 M60 Q74 F75 D77 Y81 V84 L111	V47-I58 HydrophobicContact CG1-CG2 3.88Å; V48-I58 WeakPolarHBondContact O-CA 3.46Å; E49-I58 HydrophobicContact CB-CD1 3.98Å; E49-I58 HydrophobicContact CG-CD1 3.84Å; I58-M60 HydrophobicContact CG2-CG 3.82Å; I58-M60 HydrophobicContact CG2-SD 4.41Å; I58-Q74 VanDerWaalsContact O-CA 3.23Å; I58-Q74 WeakPolarHBondContact O-CA 2.92Å; I58-F75 HydrophobicContact CB-CE2 4.37Å; I58-F75 PolarHBondContact N-O 3.29Å; I58-F75 PolarHBondContact O-N 2.89Å; I58-F75 VanDerWaalsContact O-N 3.12Å; I58-D77 HydrophobicContact CG1-CB 4.09Å; I58-Y81 HydrophobicContact CD1-CD1 3.99Å; I58-Y81 HydrophobicContact CD1-CE1 3.9Å; I58-V84 HydrophobicContact CB-CG2 3.98Å; I58-V84 HydrophobicContact CD1-CG2 4.29Å; I58-V84 HydrophobicContact CG1-CG2 3.62Å; I58-V84 HydrophobicContact CG2-CG2 3.69Å; I58-L111 HydrophobicContact CD1-CD2 4.11Å
59	G	89.8	Confident	72.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.2	162.8	0	0	0	0	0	109.7	V47 V48 T165	V47-G59 WeakPolarHBondContact CA-O 3.36Å; V48-G59 PolarHBondContact N-O 3.33Å; V48-G59 PolarHBondContact O-N 3.14Å; G59-T165 WeakPolarHBondContact O-CG2 3.23Å
60	M	90.4	Very high	72.2	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.02	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	141.4	171.1	-59.1	-179.4	63.8	0	0	109.8	V45 A46 V47 I58 S73 F75 V84 R87 L88 L91	V45-M60 HydrophobicContact CG1-CE 3.78Å; A46-M60 CarbonylContact O-C 3.59Å; A46-M60 VanDerWaalsContact O-CA 3.25Å; A46-M60 WeakPolarHBondContact O-CA 3.42Å; V47-M60 HydrophobicContact CG1-CG 4.17Å; V47-M60 HydrophobicContact CG2-CE 3.99Å; V47-M60 HydrophobicContact CG2-CG 4.11Å; I58-M60 HydrophobicContact CG2-CG 3.82Å; I58-M60 HydrophobicContact CG2-SD 4.41Å; M60-S73 PolarHBondContact N-O 3.2Å; M60-S73 PolarHBondContact O-N 3.02Å; M60-F75 HydrophobicContact CG-CE1 4.33Å; M60-F75 HydrophobicContact SD-CE1 3.7Å; M60-F75 HydrophobicContact SD-CZ 3.59Å; M60-F75 VanDerWaalsContact SD-CZ 3.59Å; M60-V84 HydrophobicContact CE-CG1 4.47Å; M60-V84 HydrophobicContact SD-CG1 4.08Å; M60-R87 HydrophobicContact CE-CG 4.36Å; M60-L88 HydrophobicContact CE-CD2 3.74Å; M60-L88 HydrophobicContact CE-CG 4.03Å; M60-L91 HydrophobicContact CE-CD1 4.41Å
61	A	91.2	Very high	72.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.9	166.3	0	0	0	0	0	107.7	V45 A46 I71 L72 A166 L169	V45-A61 CarbonylContact C-O 3.58Å; V45-A61 WeakPolarHBondContact CA-O 3.22Å; A46-A61 PolarHBondContact N-O 3.21Å; A46-A61 PolarHBondContact O-N 3.33Å; A61-I71 CarbonylContact C-O 3.44Å; A61-I71 WeakPolarHBondContact CA-O 3.27Å; A61-L72 HydrophobicContact CB-CD2 3.72Å; A61-A166 HydrophobicContact CB-CB 4.41Å; A61-L169 HydrophobicContact CB-CB 4.45Å; A61-L169 HydrophobicContact CB-CD2 3.83Å
62	S	86.6	Confident	73.1	Confident	6 Å²	6	45.5 Å²	45.5	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143	178.6	60.4	0	0	0	0	110.7	I44 L70 I71	I44-S62 CarbonylContact O-C 3.53Å; I44-S62 VanDerWaalsContact O-CA 3.28Å; I44-S62 WeakPolarHBondContact O-CA 3.4Å; S62-L70 CarbonylContact O-C 3.35Å; S62-L70 WeakPolarHBondContact O-CA 3.37Å; S62-I71 PolarHBondContact N-O 3.2Å; S62-I71 PolarHBondContact O-N 3.15Å; S62-I71 WeakPolarHBondContact OG-CB 3.42Å
63	I	78.9	Confident	73.8	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.1	178.2	-164.4	162.2	0	0	0	109.4	V43 I44 E69 L70 L169 L173 Y181 L186	V43-I63 CarbonylContact C-O 3.56Å; V43-I63 WeakPolarHBondContact CA-O 3.42Å; I44-I63 HydrophobicContact CB-CG2 4.26Å; I44-I63 PolarHBondContact N-O 3.06Å; I44-I63 PolarHBondContact O-N 3.32Å; I63-E69 WeakPolarHBondContact CA-O 3.46Å; I63-L70 HydrophobicContact CB-CD1 4.32Å; I63-L169 HydrophobicContact CB-CD2 4.07Å; I63-L169 HydrophobicContact CG2-CD1 4.13Å; I63-L169 HydrophobicContact CG2-CD2 3.97Å; I63-L169 HydrophobicContact CG2-CG 4.21Å; I63-L173 HydrophobicContact CD1-CD1 3.84Å; I63-L173 HydrophobicContact CG2-CD1 3.76Å; I63-L173 HydrophobicContact CG2-CD2 4.44Å; I63-Y181 HydrophobicContact CD1-CE1 4.34Å; I63-Y181 HydrophobicContact CD1-CE2 3.67Å; I63-Y181 WeakPolarHBondContact CD1-OH 3.23Å; I63-L186 HydrophobicContact CD1-CD1 4.09Å
64	D	67.9	Low	75.4	Confident	42 Å²	42	34.4 Å²	34.4	23%	0.225	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.1	169.8	-172	-6.4	0	0	0	109.1	S42 V43 K66 C67	S42-D64 VanDerWaalsContact CB-OD1 3.27Å; S42-D64 WeakPolarHBondContact CB-OD1 3.45Å; S42-D64 PolarHBondContact OG-OD1 3.41Å; V43-D64 HydrophobicContact CG2-CB 4.18Å; D64-K66 VanDerWaalsContact C-N 3.3Å; D64-K66 PolarHBondContact OD1-N 3.44Å; D64-C67 CarbonylContact C-O 3.47Å; D64-C67 HydrophobicContact CB-CB 4.33Å; D64-C67 WeakPolarHBondContact CB-O 3.49Å; D64-C67 CarbonylContact O-C 3.55Å
65	L	66.1	Low	76.4	Confident	69 Å²	69	33.6 Å²	33.6	36%	0.361	17%	0.172	S	C	.	.	S	Bend	trans	-74.6	-22.7	177	-64.5	175.5	0	0	0	112.4	S42 I44 L173	S42-L65 WeakPolarHBondContact O-CB 2.87Å; S42-L65 WeakPolarHBondContact O-CG 3.38Å; S42-L65 PolarHBondContact O-N 3.43Å; I44-L65 HydrophobicContact CD1-CD1 3.95Å; I44-L65 HydrophobicContact CD1-CD2 4.26Å; I44-L65 HydrophobicContact CD1-CG 4.31Å; I44-L65 HydrophobicContact CG1-CD1 4.34Å; L65-L173 HydrophobicContact CD2-CD2 4.06Å
66	K	52.9	Low	76.7	Confident	119 Å²	119	29.3 Å²	29.3	52%	0.517	16%	0.163	S	C	.	.	S	Bend	trans	-84.2	-29.3	177.5	-67.8	176.4	-173.1	156.3	0	112.3	S39 G40 S42 D64	S39-K66 PolarHBondContact OG-NZ 2.93Å; G40-K66 PolarHBondContact O-NZ 3.27Å; S42-K66 WeakPolarHBondContact OG-CD 3.48Å; D64-K66 VanDerWaalsContact C-N 3.3Å; D64-K66 PolarHBondContact OD1-N 3.44Å
67	C	56.3	Low	76.9	Confident	70 Å²	70	29.2 Å²	29.2	47%	0.473	16%	0.159	S	C	.	.	S	Bend	trans	-128.5	118.1	179.9	-66.5	0	0	0	0	108.8	D64 E69	D64-C67 CarbonylContact C-O 3.47Å; D64-C67 HydrophobicContact CB-CB 4.33Å; D64-C67 WeakPolarHBondContact CB-O 3.49Å; D64-C67 CarbonylContact O-C 3.55Å; C67-E69 PolarHBondContact O-N 3.26Å
68	P	58.6	Low	76.2	Confident	73 Å²	73	28.3 Å²	28.3	47%	0.474	16%	0.158	S	C	.	.			trans	-73.5	57.5	-174.3	32.8	-37.5	0	0	0	112.8	Y181 L186 K187	P68-Y181 HydrophobicContact CB-CD1 4.28Å; P68-Y181 HydrophobicContact CB-CE1 3.92Å; P68-L186 HydrophobicContact CB-CD1 4.2Å; P68-K187 PolarHBondContact O-N 3.32Å
69	E	66.3	Low	75	Confident	42 Å²	42	29.5 Å²	29.5	20%	0.196	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.1	176.9	-173.7	172.1	142.5	0	0	109.1	I63 C67 I71 K187 I189	I63-E69 WeakPolarHBondContact CA-O 3.46Å; C67-E69 PolarHBondContact O-N 3.26Å; E69-I71 HydrophobicContact CG-CG1 3.99Å; E69-K187 CarbonylContact C-O 3.55Å; E69-K187 WeakPolarHBondContact CA-O 3.45Å; E69-K187 HydrophobicContact CG-CD 4.21Å; E69-K187 HydrophobicContact CG-CG 4.37Å; E69-K187 IonicContact OE2-NZ 2.84Å; E69-K187 PolarHBondContact OE2-NZ 2.92Å; E69-I189 VanDerWaalsContact CD-CD1 3.48Å; E69-I189 HydrophobicContact CG-CD1 4.02Å; E69-I189 HydrophobicContact CG-CG1 4.44Å; E69-I189 WeakPolarHBondContact OE1-CD1 3.42Å
70	L	77.9	Confident	73.4	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107.3	172.5	176.3	68.1	0	0	0	108.8	S62 I63 L72 L169 L170 L186 K187 V188 I189	S62-L70 CarbonylContact O-C 3.35Å; S62-L70 WeakPolarHBondContact O-CA 3.37Å; I63-L70 HydrophobicContact CB-CD1 4.32Å; L70-L72 HydrophobicContact CD1-CD2 4.19Å; L70-L72 HydrophobicContact CD2-CD2 4.16Å; L70-L72 HydrophobicContact CD2-CG 4.47Å; L70-L72 HydrophobicContact CG-CD2 3.96Å; L70-L72 HydrophobicContact CG-CG 4.23Å; L70-L169 HydrophobicContact CD1-CD2 3.73Å; L70-L170 HydrophobicContact CD2-CD1 4.38Å; L70-L186 HydrophobicContact CB-CD2 3.52Å; L70-L186 HydrophobicContact CB-CG 4.08Å; L70-L186 HydrophobicContact CD2-CD2 3.7Å; L70-L186 HydrophobicContact CG-CD2 4.22Å; L70-K187 PolarHBondContact N-O 2.92Å; L70-V188 HydrophobicContact CB-CG2 4.37Å; L70-V188 HydrophobicContact CD2-CG1 4.31Å; L70-V188 HydrophobicContact CD2-CG2 4.21Å; L70-V188 WeakPolarHBondContact O-CA 3.37Å; L70-I189 PolarHBondContact O-N 3.19Å
71	I	82.1	Confident	72.4	Confident	24 Å²	24	32.5 Å²	32.5	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	123.8	176	-55.3	171.9	0	0	0	108.5	A61 S62 E69 I189 K191	A61-I71 CarbonylContact C-O 3.44Å; A61-I71 WeakPolarHBondContact CA-O 3.27Å; S62-I71 PolarHBondContact N-O 3.2Å; S62-I71 PolarHBondContact O-N 3.15Å; S62-I71 WeakPolarHBondContact OG-CB 3.42Å; E69-I71 HydrophobicContact CG-CG1 3.99Å; I71-I189 CarbonylContact C-O 3.53Å; I71-I189 WeakPolarHBondContact CA-O 3.49Å; I71-K191 HydrophobicContact CG2-CB 4.17Å; I71-K191 HydrophobicContact CG2-CD 3.9Å; I71-K191 HydrophobicContact CG2-CG 4.11Å
72	L	88.3	Confident	71	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136.8	-178.4	-70.6	-170.5	0	0	0	109.3	A61 L70 I141 V156 C162 A166 V188 I189 F190 K191	A61-L72 HydrophobicContact CB-CD2 3.72Å; L70-L72 HydrophobicContact CD1-CD2 4.19Å; L70-L72 HydrophobicContact CD2-CD2 4.16Å; L70-L72 HydrophobicContact CD2-CG 4.47Å; L70-L72 HydrophobicContact CG-CD2 3.96Å; L70-L72 HydrophobicContact CG-CG 4.23Å; L72-I141 HydrophobicContact CD1-CD1 3.61Å; L72-I141 HydrophobicContact CD1-CG1 4.44Å; L72-V156 HydrophobicContact CD1-CG1 4.17Å; L72-V156 HydrophobicContact CD1-CG2 4.23Å; L72-C162 WeakPolarHBondContact CB-SG 3.47Å; L72-A166 HydrophobicContact CD2-CB 3.71Å; L72-V188 HydrophobicContact CD1-CG1 3.58Å; L72-V188 HydrophobicContact CG-CG1 4.05Å; L72-I189 PolarHBondContact N-O 3.15Å; L72-F190 HydrophobicContact CB-CD2 4.04Å; L72-F190 CarbonylContact O-C 3.21Å; L72-F190 VanDerWaalsContact O-CA 3.3Å; L72-F190 WeakPolarHBondContact O-CA 3.39Å; L72-F190 WeakPolarHBondContact O-CD2 3.33Å; L72-K191 PolarHBondContact O-N 3.38Å
73	S	86.5	Confident	70.1	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.014	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.6	-179.6	-66.1	0	0	0	0	111.1	M60 R87 K191	M60-S73 PolarHBondContact N-O 3.2Å; M60-S73 PolarHBondContact O-N 3.02Å; S73-R87 PolarHBondContact OG-NE 2.99Å; S73-R87 PolarHBondContact OG-NH2 2.93Å; S73-K191 VanDerWaalsContact CA-O 3.29Å; S73-K191 WeakPolarHBondContact CA-O 3.35Å; S73-K191 WeakPolarHBondContact CB-O 3.45Å; S73-K191 PolarHBondContact OG-O 2.86Å
74	Q	87.1	Confident	70	Confident	29 Å²	29	37.4 Å²	37.4	14%	0.136	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	123.1	165.3	174.7	172.7	-27.9	0	0	108.6	I58 K159 Y161 C162 F190	I58-Q74 VanDerWaalsContact O-CA 3.23Å; I58-Q74 WeakPolarHBondContact O-CA 2.92Å; Q74-K159 HydrophobicContact CB-CD 4.42Å; Q74-K159 VanDerWaalsContact OE1-CB 3.31Å; Q74-K159 PolarHBondContact OE1-O 3.12Å; Q74-Y161 VanDerWaalsContact OE1-N 3.13Å; Q74-C162 HydrophobicContact CB-CB 3.92Å; Q74-F190 HydrophobicContact CB-CE2 4.32Å; Q74-F190 HydrophobicContact CB-CZ 4.46Å
75	F	80.4	Confident	70.3	Confident	5 Å²	5	36.5 Å²	36.5	2%	0.022	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.7	-176.4	54.3	-92.4	0	0	0	110.3	I58 M60 D77 K83 V84 E244	I58-F75 HydrophobicContact CB-CE2 4.37Å; I58-F75 PolarHBondContact N-O 3.29Å; I58-F75 PolarHBondContact O-N 2.89Å; I58-F75 VanDerWaalsContact O-N 3.12Å; M60-F75 HydrophobicContact CG-CE1 4.33Å; M60-F75 HydrophobicContact SD-CE1 3.7Å; M60-F75 HydrophobicContact SD-CZ 3.59Å; M60-F75 VanDerWaalsContact SD-CZ 3.59Å; F75-D77 HydrophobicContact CE2-CB 4.43Å; F75-K83 HydrophobicContact CD2-CB 4.08Å; F75-K83 HydrophobicContact CD2-CD 4.18Å; F75-K83 HydrophobicContact CE2-CB 3.67Å; F75-V84 HydrophobicContact CE2-CG2 3.71Å; F75-V84 HydrophobicContact CZ-CG2 3.82Å; F75-E244 WeakPolarHBondContact CB-OE1 3.38Å
76	A	73.4	Confident	70.3	Confident	33 Å²	33	36.6 Å²	36.6	27%	0.273	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.1	173.5	0	0	0	0	0	110.6	K83	A76-K83 VanDerWaalsContact O-CD 3.26Å; A76-K83 WeakPolarHBondContact O-CD 3.42Å; A76-K83 PolarHBondContact O-NZ 3.41Å
77	D	67.5	Low	71.2	Confident	15 Å²	15	31.7 Å²	31.7	8%	0.08	20%	0.195	C	C	.	.			trans	-125.4	153.1	175	-151.7	-18.9	0	0	0	110.9	G56 I58 F75 Y81 A82 K83 V84	G56-D77 PolarHBondContact O-N 3.21Å; I58-D77 HydrophobicContact CG1-CB 4.09Å; F75-D77 HydrophobicContact CE2-CB 4.43Å; D77-Y81 VanDerWaalsContact CG-CA 3.48Å; D77-Y81 WeakPolarHBondContact OD2-CA 3.32Å; D77-A82 PolarHBondContact OD1-N 3.45Å; D77-A82 PolarHBondContact OD2-N 3.06Å; D77-K83 WeakPolarHBondContact OD2-CA 3.49Å; D77-K83 WeakPolarHBondContact OD2-CB 3.49Å; D77-K83 PolarHBondContact OD2-N 2.9Å; D77-V84 HydrophobicContact CB-CG2 4.48Å; D77-V84 WeakPolarHBondContact OD2-CG2 3.46Å; D77-V84 PolarHBondContact OD2-N 3.45Å
78	T	65.6	Low	72.3	Confident	59 Å²	59	28.4 Å²	28.4	36%	0.362	17%	0.173	S	C	.	.			trans	-77.6	172.2	177.2	65.9	0	0	0	0	110.2	T80 Y81	T78-T80 PolarHBondContact O-N 3.47Å; T78-T80 PolarHBondContact OG1-N 3.46Å; T78-T80 PolarHBondContact OG1-OG1 3.01Å; T78-Y81 PolarHBondContact O-N 3.31Å
79	G	60.9	Low	72.8	Confident	26 Å²	26	29.4 Å²	29.4	27%	0.268	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-5.4	175.7	0	0	0	0	0	115.1	K110	G79-K110 VanDerWaalsContact O-CE 3.23Å; G79-K110 WeakPolarHBondContact O-CE 3.46Å; G79-K110 PolarHBondContact O-NZ 3.18Å
80	T	57.1	Low	72.9	Confident	58 Å²	58	32.7 Å²	32.7	36%	0.356	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-13.8	174.9	63.6	0	0	0	0	113.9	T78 A82	T78-T80 PolarHBondContact O-N 3.47Å; T78-T80 PolarHBondContact OG1-N 3.46Å; T78-T80 PolarHBondContact OG1-OG1 3.01Å; T80-A82 PolarHBondContact O-N 3.28Å
81	Y	70.1	Confident	72.5	Confident	9 Å²	9	34.1 Å²	34.1	4%	0.035	20%	0.197	C	C	.	.			trans	53.2	31.1	-177.8	-51.9	-80.6	0	0	0	115.3	E49 I58 D77 T78 K83 V84 I85 K110 L111 L114	E49-Y81 HydrophobicContact CG-CE1 4.42Å; E49-Y81 PolarHBondContact OE1-OH 2.95Å; E49-Y81 PolarHBondContact OE2-OH 3.24Å; I58-Y81 HydrophobicContact CD1-CD1 3.99Å; I58-Y81 HydrophobicContact CD1-CE1 3.9Å; D77-Y81 VanDerWaalsContact CG-CA 3.48Å; D77-Y81 WeakPolarHBondContact OD2-CA 3.32Å; T78-Y81 PolarHBondContact O-N 3.31Å; Y81-K83 VanDerWaalsContact C-N 3.33Å; Y81-K83 PolarHBondContact O-N 3.31Å; Y81-V84 PolarHBondContact O-N 2.86Å; Y81-I85 WeakPolarHBondContact O-CG1 3.23Å; Y81-I85 PolarHBondContact O-N 3.03Å; Y81-K110 HydrophobicContact CE2-CB 4.02Å; Y81-K110 HydrophobicContact CE2-CD 4.04Å; Y81-K110 HydrophobicContact CE2-CG 3.94Å; Y81-L111 HydrophobicContact CD1-CB 4.49Å; Y81-L111 HydrophobicContact CD1-CD1 3.72Å; Y81-L111 HydrophobicContact CD2-CB 4.47Å; Y81-L111 HydrophobicContact CD2-CD1 4.27Å; Y81-L111 HydrophobicContact CE1-CB 4.25Å; Y81-L111 HydrophobicContact CE1-CD1 4.28Å; Y81-L111 HydrophobicContact CE2-CB 4.22Å; Y81-L111 HydrophobicContact CG-CD1 3.7Å; Y81-L114 HydrophobicContact CD2-CD1 3.59Å; Y81-L114 HydrophobicContact CE2-CD1 4.33Å
82	A	61.7	Low	71.9	Confident	50 Å²	50	38.6 Å²	38.6	41%	0.413	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-37.2	-176.1	0	0	0	0	0	112.6	D77 T80 I85 T86	D77-A82 PolarHBondContact OD1-N 3.45Å; D77-A82 PolarHBondContact OD2-N 3.06Å; T80-A82 PolarHBondContact O-N 3.28Å; A82-I85 PolarHBondContact O-N 3.19Å; A82-T86 WeakPolarHBondContact O-CB 3.43Å; A82-T86 PolarHBondContact O-N 3.45Å; A82-T86 PolarHBondContact O-OG1 2.94Å
83	K	66.3	Low	71.6	Confident	60 Å²	60	38.9 Å²	38.9	26%	0.261	22%	0.22	S	C	.	.	H	α-helix	trans	-67.3	-42.9	179	-66.2	171.2	161.1	-170.7	0	110.8	F75 A76 D77 Y81 T86 R87 S193 E244	F75-K83 HydrophobicContact CD2-CB 4.08Å; F75-K83 HydrophobicContact CD2-CD 4.18Å; F75-K83 HydrophobicContact CE2-CB 3.67Å; A76-K83 VanDerWaalsContact O-CD 3.26Å; A76-K83 WeakPolarHBondContact O-CD 3.42Å; A76-K83 PolarHBondContact O-NZ 3.41Å; D77-K83 WeakPolarHBondContact OD2-CA 3.49Å; D77-K83 WeakPolarHBondContact OD2-CB 3.49Å; D77-K83 PolarHBondContact OD2-N 2.9Å; Y81-K83 VanDerWaalsContact C-N 3.33Å; Y81-K83 PolarHBondContact O-N 3.31Å; K83-T86 PolarHBondContact O-N 2.96Å; K83-R87 WeakPolarHBondContact O-CB 3.32Å; K83-R87 PolarHBondContact O-N 3.44Å; K83-S193 VanDerWaalsContact CD-OG 3.31Å; K83-S193 WeakPolarHBondContact CD-OG 3.36Å; K83-S193 WeakPolarHBondContact CE-OG 3.42Å; K83-E244 IonicContact NZ-OE2 2.72Å; K83-E244 PolarHBondContact NZ-OE2 3.02Å
84	V	76.9	Confident	71.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61.3	-47.2	176	-179.7	0	0	0	0	111.3	V47 I58 M60 F75 D77 Y81 T86 R87 L88 L111	V47-V84 HydrophobicContact CG1-CG1 4.46Å; I58-V84 HydrophobicContact CB-CG2 3.98Å; I58-V84 HydrophobicContact CD1-CG2 4.29Å; I58-V84 HydrophobicContact CG1-CG2 3.62Å; I58-V84 HydrophobicContact CG2-CG2 3.69Å; M60-V84 HydrophobicContact CE-CG1 4.47Å; M60-V84 HydrophobicContact SD-CG1 4.08Å; F75-V84 HydrophobicContact CE2-CG2 3.71Å; F75-V84 HydrophobicContact CZ-CG2 3.82Å; D77-V84 HydrophobicContact CB-CG2 4.48Å; D77-V84 WeakPolarHBondContact OD2-CG2 3.46Å; D77-V84 PolarHBondContact OD2-N 3.45Å; Y81-V84 PolarHBondContact O-N 2.86Å; V84-T86 PolarHBondContact O-N 3.11Å; V84-R87 PolarHBondContact O-N 2.78Å; V84-L88 HydrophobicContact CG1-CD1 3.89Å; V84-L88 HydrophobicContact CG1-CG 4.32Å; V84-L88 VanDerWaalsContact O-CG 3.3Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 3.36Å; V84-L111 HydrophobicContact CB-CD1 4.42Å; V84-L111 HydrophobicContact CG1-CD1 4.09Å
85	I	75.4	Confident	71.2	Confident	23 Å²	23	42 Å²	42	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-43.9	-179.2	-67.4	169.2	0	0	0	110.6	Y81 A82 R87 L88 H89 L114 N118 F119	Y81-I85 WeakPolarHBondContact O-CG1 3.23Å; Y81-I85 PolarHBondContact O-N 3.03Å; A82-I85 PolarHBondContact O-N 3.19Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.11Å; I85-L88 PolarHBondContact O-N 3.46Å; I85-H89 VanDerWaalsContact CG2-CE1 3.44Å; I85-H89 WeakPolarHBondContact CG2-CE1 3.13Å; I85-H89 WeakPolarHBondContact CG2-ND1 3.48Å; I85-H89 PolarHBondContact O-N 3.43Å; I85-H89 PolarHBondContact O-ND1 2.94Å; I85-L114 HydrophobicContact CD1-CB 4.31Å; I85-N118 HydrophobicContact CG2-CB 4.41Å; I85-F119 HydrophobicContact CG2-CE2 4.38Å
86	T	64.7	Low	71.7	Confident	71 Å²	71	41.7 Å²	41.7	44%	0.436	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-45.8	178	-55.2	0	0	0	0	110.9	A82 K83 V84 L88 H89 I90	A82-T86 WeakPolarHBondContact O-CB 3.43Å; A82-T86 PolarHBondContact O-N 3.45Å; A82-T86 PolarHBondContact O-OG1 2.94Å; K83-T86 PolarHBondContact O-N 2.96Å; V84-T86 PolarHBondContact O-N 3.11Å; T86-L88 PolarHBondContact O-N 2.9Å; T86-H89 WeakPolarHBondContact O-CB 3.35Å; T86-H89 PolarHBondContact O-N 3.48Å; T86-H89 VanDerWaalsContact O-N 3.1Å; T86-I90 HydrophobicContact CG2-CD1 4.17Å; T86-I90 PolarHBondContact O-N 3.32Å
87	R	72.9	Confident	72.5	Confident	16 Å²	16	40.1 Å²	40.1	6%	0.06	22%	0.221	C	C	.	.	H	α-helix	trans	-64.7	-38	178.3	-167.6	158.7	-171.1	88.3	-21.1	113	M60 S73 K83 V84 I85 H89 I90 L91 K191 G192 E194	M60-R87 HydrophobicContact CE-CG 4.36Å; S73-R87 PolarHBondContact OG-NE 2.99Å; S73-R87 PolarHBondContact OG-NH2 2.93Å; K83-R87 WeakPolarHBondContact O-CB 3.32Å; K83-R87 PolarHBondContact O-N 3.44Å; V84-R87 PolarHBondContact O-N 2.78Å; I85-R87 VanDerWaalsContact C-N 3.34Å; I85-R87 PolarHBondContact O-N 3.11Å; R87-H89 VanDerWaalsContact C-N 3.34Å; R87-I90 PolarHBondContact O-N 3.49Å; R87-L91 HydrophobicContact CG-CD1 4.05Å; R87-L91 HydrophobicContact CG-CG 4.47Å; R87-L91 WeakPolarHBondContact O-CB 3.24Å; R87-L91 VanDerWaalsContact O-CG 3.26Å; R87-L91 WeakPolarHBondContact O-CG 3.32Å; R87-L91 PolarHBondContact O-N 3.25Å; R87-K191 PolarHBondContact NH2-O 3.46Å; R87-G192 PolarHBondContact NH2-O 3.19Å; R87-E194 WeakPolarHBondContact CG-OE1 3.44Å; R87-E194 IonicContact CZ-OE1 2.75Å; R87-E194 IonicContact NH1-OE1 2.64Å; R87-E194 PolarHBondContact NH1-OE1 2.84Å
88	L	77.9	Confident	73.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.7	-35.7	172.9	-70.5	171	0	0	0	111.9	V45 M60 V84 I85 T86 I90 M92 P93 I96 I115 F119	V45-L88 HydrophobicContact CB-CD2 4.34Å; V45-L88 HydrophobicContact CG1-CD2 3.93Å; V45-L88 HydrophobicContact CG2-CD2 4.5Å; M60-L88 HydrophobicContact CE-CD2 3.74Å; M60-L88 HydrophobicContact CE-CG 4.03Å; V84-L88 HydrophobicContact CG1-CD1 3.89Å; V84-L88 HydrophobicContact CG1-CG 4.32Å; V84-L88 VanDerWaalsContact O-CG 3.3Å; V84-L88 WeakPolarHBondContact O-CG 3.45Å; V84-L88 PolarHBondContact O-N 3.36Å; I85-L88 PolarHBondContact O-N 3.46Å; T86-L88 PolarHBondContact O-N 2.9Å; L88-I90 VanDerWaalsContact C-N 3.35Å; L88-M92 PolarHBondContact O-N 2.96Å; L88-P93 HydrophobicContact CD2-CG 4.15Å; L88-P93 WeakPolarHBondContact O-CD 3.4Å; L88-I96 HydrophobicContact CD1-CD1 4.19Å; L88-I96 HydrophobicContact CD2-CD1 4Å; L88-I96 HydrophobicContact CD2-CG1 4.31Å; L88-I115 HydrophobicContact CD1-CD1 3.93Å; L88-I115 HydrophobicContact CD1-CG1 3.86Å; L88-I115 HydrophobicContact CD1-CG2 4.28Å; L88-F119 HydrophobicContact CB-CE1 4.23Å; L88-F119 HydrophobicContact CB-CE2 3.62Å; L88-F119 HydrophobicContact CB-CZ 3.4Å; L88-F119 VanDerWaalsContact CB-CZ 3.4Å; L88-F119 HydrophobicContact CD1-CE2 3.98Å; L88-F119 HydrophobicContact CG-CE2 4.48Å
89	H	70.4	Confident	74.5	Confident	95 Å²	95	37 Å²	37	44%	0.44	20%	0.203	S	C	.	.	H	α-helix	trans	-65.6	-38.2	173.4	-77.9	95	0	0	0	112	I85 T86 R87 M92 F119	I85-H89 VanDerWaalsContact CG2-CE1 3.44Å; I85-H89 WeakPolarHBondContact CG2-CE1 3.13Å; I85-H89 WeakPolarHBondContact CG2-ND1 3.48Å; I85-H89 PolarHBondContact O-N 3.43Å; I85-H89 PolarHBondContact O-ND1 2.94Å; T86-H89 WeakPolarHBondContact O-CB 3.35Å; T86-H89 PolarHBondContact O-N 3.48Å; T86-H89 VanDerWaalsContact O-N 3.1Å; R87-H89 VanDerWaalsContact C-N 3.34Å; H89-M92 WeakPolarHBondContact O-CG 3.32Å; H89-F119 HydrophobicContact CB-CZ 4.45Å; H89-F119 AromaticContact CD2-CE1 3.86Å; H89-F119 AromaticContact CD2-CZ 4Å; H89-F119 AromaticContact CE1-CE1 3.99Å; H89-F119 AromaticContact CE1-CZ 3.47Å; H89-F119 VanDerWaalsContact CE1-CZ 3.47Å; H89-F119 WeakPolarHBondContact CE1-CZ 3.1Å; H89-F119 AromaticContact CG-CE1 3.94Å; H89-F119 AromaticContact CG-CZ 3.71Å; H89-F119 AromaticContact ND1-CZ 3.37Å; H89-F119 WeakPolarHBondContact ND1-CZ 3.45Å; H89-F119 AromaticContact NE2-CE1 3.9Å; H89-F119 AromaticContact NE2-CZ 3.86Å
90	I	68.3	Low	75.5	Confident	111 Å²	111	37.9 Å²	37.9	57%	0.569	20%	0.201	S	C	*	.	H	α-helix	trans	-70.3	-41.5	177.2	-77.9	156.8	0	0	0	111.8	T86 R87 L88 M92 E194	T86-I90 HydrophobicContact CG2-CD1 4.17Å; T86-I90 PolarHBondContact O-N 3.32Å; R87-I90 PolarHBondContact O-N 3.49Å; L88-I90 VanDerWaalsContact C-N 3.35Å; I90-M92 VanDerWaalsContact C-N 3.27Å; I90-M92 PolarHBondContact O-N 3.46Å; I90-E194 WeakPolarHBondContact CD1-OE1 3.45Å; I90-E194 WeakPolarHBondContact CD1-OE2 3.4Å
91	L	69.4	Low	76.2	Confident	31 Å²	31	36.5 Å²	36.5	16%	0.162	19%	0.192	C	C	.	.	H	α-helix	trans	-72.8	-20.4	179	-69	172.4	0	0	0	113.1	V45 M60 R87	V45-L91 HydrophobicContact CG2-CB 4.45Å; V45-L91 HydrophobicContact CG2-CD1 4.07Å; M60-L91 HydrophobicContact CE-CD1 4.41Å; R87-L91 HydrophobicContact CG-CD1 4.05Å; R87-L91 HydrophobicContact CG-CG 4.47Å; R87-L91 WeakPolarHBondContact O-CB 3.24Å; R87-L91 VanDerWaalsContact O-CG 3.26Å; R87-L91 WeakPolarHBondContact O-CG 3.32Å; R87-L91 PolarHBondContact O-N 3.25Å
92	M	69.9	Low	76	Confident	118 Å²	118	36.3 Å²	36.3	58%	0.581	19%	0.193	S	C	*	.			trans	38	65.4	-173.7	-67.3	-148.4	-56.4	0	0	112.6	A41 L88 H89 I90	A41-M92 WeakPolarHBondContact CB-O 3.42Å; L88-M92 PolarHBondContact O-N 2.96Å; H89-M92 WeakPolarHBondContact O-CG 3.32Å; I90-M92 VanDerWaalsContact C-N 3.27Å; I90-M92 PolarHBondContact O-N 3.46Å
93	P	80.4	Confident	76	Confident	5 Å²	5	35.7 Å²	35.7	3%	0.032	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	142	-174	27	-35	0	0	0	112.4	V43 V45 L88 I96 V122	V43-P93 CarbonylContact O-C 3.57Å; V43-P93 WeakPolarHBondContact O-CA 3.41Å; V45-P93 HydrophobicContact CB-CB 4.34Å; V45-P93 HydrophobicContact CG2-CB 3.72Å; V45-P93 HydrophobicContact CG2-CG 4.45Å; L88-P93 HydrophobicContact CD2-CG 4.15Å; L88-P93 WeakPolarHBondContact O-CD 3.4Å; P93-I96 HydrophobicContact CB-CG1 3.9Å; P93-I96 HydrophobicContact CG-CD1 3.74Å; P93-I96 HydrophobicContact CG-CG1 3.67Å; P93-V122 HydrophobicContact CB-CG1 4.45Å; P93-V122 HydrophobicContact CG-CG1 4.25Å; P93-V122 WeakPolarHBondContact O-CG1 3.32Å; P93-V122 WeakPolarHBondContact O-CG2 3.38Å
94	M	80.6	Confident	75.4	Confident	81 Å²	81	37.9 Å²	37.9	40%	0.399	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	-36.4	165.9	-170.7	-174.4	80.8	0	0	111	A41 V43	A41-M94 HydrophobicContact CB-CB 4.39Å; V43-M94 PolarHBondContact O-N 3.18Å
95	E	86.4	Confident	74	Confident	15 Å²	15	46.7 Å²	46.7	7%	0.07	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	138.1	-177.6	-174.4	167.8	-150.5	0	0	111	I44 V45 L97 N123 T125 Y172	I44-E95 HydrophobicContact CG1-CB 4.42Å; I44-E95 HydrophobicContact CG2-CB 4.43Å; V45-E95 PolarHBondContact N-O 2.99Å; E95-L97 HydrophobicContact CG-CD2 4.07Å; E95-N123 CarbonylContact C-O 3.48Å; E95-N123 WeakPolarHBondContact CA-O 3.43Å; E95-N123 HydrophobicContact CG-CB 4.2Å; E95-N123 WeakPolarHBondContact CG-O 3.41Å; E95-T125 WeakPolarHBondContact OE1-CB 3.25Å; E95-T125 PolarHBondContact OE1-OG1 3.46Å; E95-Y172 PolarHBondContact OE1-OH 3.42Å; E95-Y172 WeakPolarHBondContact OE2-CE1 3.33Å; E95-Y172 PolarHBondContact OE2-OH 3Å
96	I	89.7	Confident	73	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.6	178	-60.5	169.2	0	0	0	109.7	V45 V47 L88 P93 M98 I115 V122 N123 L124 T125	V45-I96 CarbonylContact O-C 3.42Å; V45-I96 VanDerWaalsContact O-CA 3.27Å; V45-I96 WeakPolarHBondContact O-CA 3.17Å; V47-I96 HydrophobicContact CG2-CG2 4.23Å; L88-I96 HydrophobicContact CD1-CD1 4.19Å; L88-I96 HydrophobicContact CD2-CD1 4Å; L88-I96 HydrophobicContact CD2-CG1 4.31Å; P93-I96 HydrophobicContact CB-CG1 3.9Å; P93-I96 HydrophobicContact CG-CD1 3.74Å; P93-I96 HydrophobicContact CG-CG1 3.67Å; I96-M98 HydrophobicContact CG2-CG 4.18Å; I96-I115 HydrophobicContact CD1-CG2 3.57Å; I96-V122 HydrophobicContact CD1-CG1 3.89Å; I96-V122 HydrophobicContact CG1-CG1 3.8Å; I96-N123 PolarHBondContact N-O 3.11Å; I96-L124 HydrophobicContact CB-CD2 3.86Å; I96-L124 HydrophobicContact CG2-CD2 3.91Å; I96-L124 WeakPolarHBondContact O-CA 3.46Å; I96-T125 PolarHBondContact O-N 3.27Å
97	L	90.2	Very high	72.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.6	-179.9	-47.3	175.6	0	0	0	110.1	I44 V45 A46 V47 E95 T125 I127 Y132 L169 Y172	I44-L97 HydrophobicContact CG2-CD1 3.84Å; I44-L97 HydrophobicContact CG2-CD2 4.43Å; I44-L97 HydrophobicContact CG2-CG 3.98Å; V45-L97 PolarHBondContact O-N 3.4Å; A46-L97 CarbonylContact C-O 3.25Å; A46-L97 WeakPolarHBondContact CA-O 3.5Å; A46-L97 HydrophobicContact CB-CB 4.01Å; A46-L97 HydrophobicContact CB-CD1 4.33Å; V47-L97 PolarHBondContact N-O 3.4Å; E95-L97 HydrophobicContact CG-CD2 4.07Å; L97-T125 WeakPolarHBondContact CA-O 3.39Å; L97-T125 HydrophobicContact CD2-CG2 4.32Å; L97-I127 HydrophobicContact CB-CD1 3.74Å; L97-I127 HydrophobicContact CB-CG1 4.48Å; L97-I127 HydrophobicContact CD1-CD1 3.8Å; L97-I127 HydrophobicContact CD2-CD1 4.09Å; L97-I127 HydrophobicContact CG-CD1 4.07Å; L97-Y132 PolarHBondContact O-OH 2.93Å; L97-L169 HydrophobicContact CD1-CD1 3.57Å; L97-Y172 HydrophobicContact CD1-CD1 3.57Å; L97-Y172 HydrophobicContact CD1-CD2 4.19Å; L97-Y172 HydrophobicContact CD1-CE1 4.27Å; L97-Y172 HydrophobicContact CD1-CG 3.54Å; L97-Y172 HydrophobicContact CD2-CD1 3.86Å; L97-Y172 HydrophobicContact CD2-CD2 3.83Å; L97-Y172 HydrophobicContact CD2-CE1 3.73Å; L97-Y172 HydrophobicContact CD2-CE2 3.72Å; L97-Y172 HydrophobicContact CD2-CG 3.91Å; L97-Y172 HydrophobicContact CG-CD1 4.33Å; L97-Y172 HydrophobicContact CG-CG 4.37Å
98	M	89.5	Confident	72.4	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.4	176.6	-67.2	-164.1	76.3	0	0	110.4	I96 A102 L111 F112 I115 L124 T125 A126 I127 Y132	I96-M98 HydrophobicContact CG2-CG 4.18Å; M98-A102 HydrophobicContact CB-CB 4.35Å; M98-A102 HydrophobicContact CE-CB 4.13Å; M98-L111 HydrophobicContact CE-CB 4.48Å; M98-L111 HydrophobicContact CE-CD2 3.76Å; M98-L111 HydrophobicContact CE-CG 3.94Å; M98-F112 HydrophobicContact CB-CD2 4.38Å; M98-F112 HydrophobicContact SD-CB 4.31Å; M98-F112 HydrophobicContact SD-CD2 3.63Å; M98-F112 HydrophobicContact SD-CE2 4.41Å; M98-F112 HydrophobicContact SD-CG 4.38Å; M98-I115 HydrophobicContact CE-CD1 4.4Å; M98-I115 HydrophobicContact SD-CD1 3.93Å; M98-L124 HydrophobicContact SD-CD2 4.39Å; M98-T125 PolarHBondContact N-O 2.89Å; M98-A126 CarbonylContact O-C 3.57Å; M98-A126 WeakPolarHBondContact O-CA 3.35Å; M98-I127 PolarHBondContact O-N 3.33Å; M98-Y132 WeakPolarHBondContact CA-OH 3.33Å
99	P	86.4	Confident	72.2	Confident	6 Å²	6	57 Å²	57	4%	0.039	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	143.8	175.7	27.1	-35.4	0	0	0	110.4	V47 V48 T101 A102 I127 Y132	V47-P99 WeakPolarHBondContact O-CD 3.37Å; V48-P99 HydrophobicContact CG2-CG 4.24Å; P99-T101 PolarHBondContact O-N 3.39Å; P99-T101 VanDerWaalsContact O-N 3.13Å; P99-A102 HydrophobicContact CG-CB 4.22Å; P99-A102 WeakPolarHBondContact O-CA 3.48Å; P99-A102 WeakPolarHBondContact O-CB 3.41Å; P99-A102 PolarHBondContact O-N 3.14Å; P99-I127 CarbonylContact C-O 3.52Å; P99-I127 VanDerWaalsContact CA-O 3.26Å; P99-I127 WeakPolarHBondContact CA-O 3.26Å; P99-Y132 HydrophobicContact CB-CD2 4.01Å; P99-Y132 HydrophobicContact CB-CE2 3.72Å
100	D	81	Confident	72.3	Confident	44 Å²	44	55.3 Å²	55.3	24%	0.235	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-51.4	-35.4	174.7	59.6	-13.2	0	0	0	113	A102 S103 E104 I127 Q128 R129	D100-A102 PolarHBondContact O-N 3.28Å; D100-A102 VanDerWaalsContact O-N 3.16Å; D100-S103 CarbonylContact O-C 3.55Å; D100-S103 VanDerWaalsContact O-C 3.25Å; D100-S103 WeakPolarHBondContact O-CA 3.21Å; D100-S103 PolarHBondContact O-N 3.01Å; D100-E104 WeakPolarHBondContact O-CA 3.36Å; D100-E104 PolarHBondContact O-N 2.9Å; D100-I127 PolarHBondContact N-O 3.19Å; D100-Q128 WeakPolarHBondContact OD2-CA 3.37Å; D100-R129 PolarHBondContact OD1-N 3.15Å
101	T	72.7	Confident	72.8	Confident	28 Å²	28	50.1 Å²	50.1	17%	0.172	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.2	-19.9	172.5	58.9	0	0	0	0	114.7	R51 P99 S103 R129	R51-T101 PolarHBondContact NH2-OG1 3.35Å; P99-T101 PolarHBondContact O-N 3.39Å; P99-T101 VanDerWaalsContact O-N 3.13Å; T101-S103 VanDerWaalsContact C-N 3.29Å; T101-R129 HydrophobicContact CG2-CB 4.07Å; T101-R129 HydrophobicContact CG2-CG 4.38Å
102	A	64.4	Low	73.4	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.041	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-75.6	-21	170.8	0	0	0	0	0	112.4	M98 P99 D100 W108 T109 F112	M98-A102 HydrophobicContact CB-CB 4.35Å; M98-A102 HydrophobicContact CE-CB 4.13Å; P99-A102 HydrophobicContact CG-CB 4.22Å; P99-A102 WeakPolarHBondContact O-CA 3.48Å; P99-A102 WeakPolarHBondContact O-CB 3.41Å; P99-A102 PolarHBondContact O-N 3.14Å; D100-A102 PolarHBondContact O-N 3.28Å; D100-A102 VanDerWaalsContact O-N 3.16Å; A102-W108 WeakPolarHBondContact O-CA 3.27Å; A102-T109 HydrophobicContact CB-CG2 4.23Å; A102-T109 PolarHBondContact O-N 3.44Å; A102-F112 HydrophobicContact CB-CD2 4.29Å
103	S	62.8	Low	73.8	Confident	38 Å²	38	48.5 Å²	48.5	27%	0.266	25%	0.246	S	C	.	.	S	Bend	trans	-118.2	7.7	-177.7	-178.2	0	0	0	0	113.3	D100 T101 K105	D100-S103 CarbonylContact O-C 3.55Å; D100-S103 VanDerWaalsContact O-C 3.25Å; D100-S103 WeakPolarHBondContact O-CA 3.21Å; D100-S103 PolarHBondContact O-N 3.01Å; T101-S103 VanDerWaalsContact C-N 3.29Å; S103-K105 PolarHBondContact O-N 3.46Å
104	E	53.4	Low	73.6	Confident	105 Å²	105	50 Å²	50	49%	0.491	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-64.2	123.1	-167.7	-107.3	-176.5	154	0	0	112.4	D100 G106 K107	D100-E104 WeakPolarHBondContact O-CA 3.36Å; D100-E104 PolarHBondContact O-N 2.9Å; E104-G106 VanDerWaalsContact C-N 3.33Å; E104-G106 PolarHBondContact O-N 3.33Å; E104-K107 PolarHBondContact O-N 3.5Å
105	K	48.6	Very low	73.7	Confident	186 Å²	186	46.1 Å²	46.1	81%	0.809	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	52.2	41.5	171.6	-58.6	-178.6	179.5	178.4	0	114.4	S103 K107 K294	S103-K105 PolarHBondContact O-N 3.46Å; K105-K107 VanDerWaalsContact C-N 3.33Å; K105-K107 PolarHBondContact O-N 2.94Å; K105-K294 PolarHBondContact O-NZ 2.83Å
106	G	53.6	Low	73.5	Confident	67 Å²	67	47.4 Å²	47.4	69%	0.691	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	75	15.3	175	0	0	0	0	0	115.1	E104	E104-G106 VanDerWaalsContact C-N 3.33Å; E104-G106 PolarHBondContact O-N 3.33Å
107	K	54.5	Low	72.9	Confident	90 Å²	90	54 Å²	54	39%	0.391	27%	0.274	S	S	.	.			trans	-108	101.5	168.2	-79	-175.9	170.8	-177.9	0	109	E104 K105 I292 K294	E104-K107 PolarHBondContact O-N 3.5Å; K105-K107 VanDerWaalsContact C-N 3.33Å; K105-K107 PolarHBondContact O-N 2.94Å; K107-I292 PolarHBondContact NZ-O 3.48Å; K107-K294 HydrophobicContact CD-CD 4.13Å
108	W	70	Confident	71.9	Confident	124 Å²	124	57.4 Å²	57.4	47%	0.47	29%	0.292	S	S	.	.			trans	-75.9	129.9	174.2	-60	-12	0	0	0	109.6	A102 F112 K113 T116	A102-W108 WeakPolarHBondContact O-CA 3.27Å; W108-F112 HydrophobicContact CB-CB 4.28Å; W108-F112 HydrophobicContact CB-CD1 3.76Å; W108-F112 HydrophobicContact CB-CG 4.37Å; W108-F112 AromaticContact CD1-CD1 3.85Å; W108-F112 AromaticContact CD1-CE1 3.91Å; W108-F112 AromaticContact CD2-CD1 3.81Å; W108-F112 HydrophobicContact CD2-CD1 3.81Å; W108-F112 AromaticContact CD2-CE1 3.92Å; W108-F112 HydrophobicContact CD2-CE1 3.92Å; W108-F112 AromaticContact CE2-CE1 3.99Å; W108-F112 HydrophobicContact CE3-CD1 4.27Å; W108-F112 HydrophobicContact CE3-CE1 4.46Å; W108-F112 AromaticContact CG-CD1 3.54Å; W108-F112 HydrophobicContact CG-CD1 3.54Å; W108-F112 AromaticContact CG-CE1 3.94Å; W108-F112 HydrophobicContact CG-CE1 3.94Å; W108-F112 AromaticContact NE1-CE1 3.94Å; W108-K113 HydrophobicContact CB-CD 4.36Å; W108-K113 HydrophobicContact CB-CG 3.49Å; W108-K113 VanDerWaalsContact CB-CG 3.49Å; W108-K113 HydrophobicContact CE3-CG 4.02Å; W108-K113 HydrophobicContact CG-CG 4.42Å; W108-T116 HydrophobicContact CZ3-CG2 4.35Å
109	T	74.6	Confident	71.3	Confident	44 Å²	44	58.1 Å²	58.1	27%	0.27	30%	0.295	S	S	.	.			trans	-59.6	155.6	167.2	55.1	0	0	0	0	109.7	A102 L111 F112 K113	A102-T109 HydrophobicContact CB-CG2 4.23Å; A102-T109 PolarHBondContact O-N 3.44Å; T109-L111 PolarHBondContact O-N 3.04Å; T109-F112 WeakPolarHBondContact O-CB 3.3Å; T109-F112 PolarHBondContact O-N 3.45Å; T109-F112 WeakPolarHBondContact OG1-CB 3.36Å; T109-F112 PolarHBondContact OG1-N 3.05Å; T109-K113 PolarHBondContact O-N 3.37Å
110	K	71.6	Confident	70.5	Confident	61 Å²	61	63.1 Å²	63.1	27%	0.265	33%	0.328	S	S	.	.	H	α-helix	trans	-55.7	-40.8	-179.1	-173	177.3	179.4	-173.4	0	111.4	G79 Y81 K113 L114	G79-K110 VanDerWaalsContact O-CE 3.23Å; G79-K110 WeakPolarHBondContact O-CE 3.46Å; G79-K110 PolarHBondContact O-NZ 3.18Å; Y81-K110 HydrophobicContact CE2-CB 4.02Å; Y81-K110 HydrophobicContact CE2-CD 4.04Å; Y81-K110 HydrophobicContact CE2-CG 3.94Å; K110-K113 PolarHBondContact O-N 3.38Å; K110-L114 HydrophobicContact CG-CD1 4.03Å; K110-L114 WeakPolarHBondContact O-CG 3.18Å; K110-L114 PolarHBondContact O-N 3.08Å
111	L	78.4	Confident	69.9	Low	1 Å²	1	66.4 Å²	66.4	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-60.3	-46.4	173.5	-176.9	63	0	0	0	112.5	V47 E49 I58 Y81 V84 M98 T109 K113 L114 I115	V47-L111 HydrophobicContact CG1-CD2 3.92Å; E49-L111 HydrophobicContact CB-CD2 4.15Å; I58-L111 HydrophobicContact CD1-CD2 4.11Å; Y81-L111 HydrophobicContact CD1-CB 4.49Å; Y81-L111 HydrophobicContact CD1-CD1 3.72Å; Y81-L111 HydrophobicContact CD2-CB 4.47Å; Y81-L111 HydrophobicContact CD2-CD1 4.27Å; Y81-L111 HydrophobicContact CE1-CB 4.25Å; Y81-L111 HydrophobicContact CE1-CD1 4.28Å; Y81-L111 HydrophobicContact CE2-CB 4.22Å; Y81-L111 HydrophobicContact CG-CD1 3.7Å; V84-L111 HydrophobicContact CB-CD1 4.42Å; V84-L111 HydrophobicContact CG1-CD1 4.09Å; M98-L111 HydrophobicContact CE-CB 4.48Å; M98-L111 HydrophobicContact CE-CD2 3.76Å; M98-L111 HydrophobicContact CE-CG 3.94Å; T109-L111 PolarHBondContact O-N 3.04Å; L111-K113 PolarHBondContact O-N 2.72Å; L111-L114 PolarHBondContact O-N 2.85Å; L111-I115 HydrophobicContact CD1-CD1 3.83Å; L111-I115 HydrophobicContact CD1-CG1 4.21Å; L111-I115 HydrophobicContact CG-CD1 3.82Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 2.95Å
112	F	82.2	Confident	70.2	Confident	15 Å²	15	66 Å²	66	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-42.4	178.5	-169.4	-81.9	0	0	0	111.9	M98 A102 W108 T109 T116 L124	M98-F112 HydrophobicContact CB-CD2 4.38Å; M98-F112 HydrophobicContact SD-CB 4.31Å; M98-F112 HydrophobicContact SD-CD2 3.63Å; M98-F112 HydrophobicContact SD-CE2 4.41Å; M98-F112 HydrophobicContact SD-CG 4.38Å; A102-F112 HydrophobicContact CB-CD2 4.29Å; W108-F112 HydrophobicContact CB-CB 4.28Å; W108-F112 HydrophobicContact CB-CD1 3.76Å; W108-F112 HydrophobicContact CB-CG 4.37Å; W108-F112 AromaticContact CD1-CD1 3.85Å; W108-F112 AromaticContact CD1-CE1 3.91Å; W108-F112 AromaticContact CD2-CD1 3.81Å; W108-F112 HydrophobicContact CD2-CD1 3.81Å; W108-F112 AromaticContact CD2-CE1 3.92Å; W108-F112 HydrophobicContact CD2-CE1 3.92Å; W108-F112 AromaticContact CE2-CE1 3.99Å; W108-F112 HydrophobicContact CE3-CD1 4.27Å; W108-F112 HydrophobicContact CE3-CE1 4.46Å; W108-F112 AromaticContact CG-CD1 3.54Å; W108-F112 HydrophobicContact CG-CD1 3.54Å; W108-F112 AromaticContact CG-CE1 3.94Å; W108-F112 HydrophobicContact CG-CE1 3.94Å; W108-F112 AromaticContact NE1-CE1 3.94Å; T109-F112 WeakPolarHBondContact O-CB 3.3Å; T109-F112 PolarHBondContact O-N 3.45Å; T109-F112 WeakPolarHBondContact OG1-CB 3.36Å; T109-F112 PolarHBondContact OG1-N 3.05Å; F112-T116 WeakPolarHBondContact O-CB 3.44Å; F112-T116 PolarHBondContact O-N 2.94Å; F112-T116 PolarHBondContact O-OG1 3.42Å; F112-L124 HydrophobicContact CE2-CB 4.49Å; F112-L124 HydrophobicContact CE2-CD2 4.36Å; F112-L124 HydrophobicContact CZ-CB 4.35Å
113	K	79.3	Confident	71.1	Confident	101 Å²	101	71 Å²	71	44%	0.439	38%	0.378	S	S	.	.	H	α-helix	trans	-59.5	-51.8	175.5	-65.4	-167.6	170.7	-170.8	0	111.7	W108 T109 K110 L111 I115 T116 E117	W108-K113 HydrophobicContact CB-CD 4.36Å; W108-K113 HydrophobicContact CB-CG 3.49Å; W108-K113 VanDerWaalsContact CB-CG 3.49Å; W108-K113 HydrophobicContact CE3-CG 4.02Å; W108-K113 HydrophobicContact CG-CG 4.42Å; T109-K113 PolarHBondContact O-N 3.37Å; K110-K113 PolarHBondContact O-N 3.38Å; L111-K113 PolarHBondContact O-N 2.72Å; K113-I115 PolarHBondContact O-N 3.37Å; K113-T116 WeakPolarHBondContact O-CB 3.3Å; K113-T116 PolarHBondContact O-N 3.25Å; K113-T116 VanDerWaalsContact O-N 3.17Å; K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.08Å
114	L	76.3	Confident	72.1	Confident	36 Å²	36	71.5 Å²	71.5	19%	0.188	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-40.8	-178	-76.4	165	0	0	0	112.4	Y81 I85 K110 L111 T116 E117 N118	Y81-L114 HydrophobicContact CD2-CD1 3.59Å; Y81-L114 HydrophobicContact CE2-CD1 4.33Å; I85-L114 HydrophobicContact CD1-CB 4.31Å; K110-L114 HydrophobicContact CG-CD1 4.03Å; K110-L114 WeakPolarHBondContact O-CG 3.18Å; K110-L114 PolarHBondContact O-N 3.08Å; L111-L114 PolarHBondContact O-N 2.85Å; L114-T116 VanDerWaalsContact C-N 3.35Å; L114-E117 PolarHBondContact O-N 3.4Å; L114-N118 WeakPolarHBondContact O-CB 3.33Å; L114-N118 PolarHBondContact O-N 3.38Å; L114-N118 PolarHBondContact O-ND2 3.23Å
115	I	81.9	Confident	73.7	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-42.2	176	-65.8	170.5	0	0	0	110.3	L88 I96 M98 L111 K113 E117 N118 F119 L124	L88-I115 HydrophobicContact CD1-CD1 3.93Å; L88-I115 HydrophobicContact CD1-CG1 3.86Å; L88-I115 HydrophobicContact CD1-CG2 4.28Å; I96-I115 HydrophobicContact CD1-CG2 3.57Å; M98-I115 HydrophobicContact CE-CD1 4.4Å; M98-I115 HydrophobicContact SD-CD1 3.93Å; L111-I115 HydrophobicContact CD1-CD1 3.83Å; L111-I115 HydrophobicContact CD1-CG1 4.21Å; L111-I115 HydrophobicContact CG-CD1 3.82Å; L111-I115 VanDerWaalsContact O-CG1 3.29Å; L111-I115 WeakPolarHBondContact O-CG1 3.42Å; L111-I115 PolarHBondContact O-N 2.95Å; K113-I115 PolarHBondContact O-N 3.37Å; I115-E117 VanDerWaalsContact C-N 3.33Å; I115-E117 PolarHBondContact O-N 3Å; I115-N118 PolarHBondContact O-N 3.5Å; I115-F119 HydrophobicContact CG2-CD2 4.13Å; I115-F119 WeakPolarHBondContact O-CB 3.42Å; I115-F119 PolarHBondContact O-N 3Å; I115-L124 HydrophobicContact CG2-CD1 4.45Å; I115-L124 HydrophobicContact CG2-CD2 3.9Å
116	T	82.8	Confident	75.4	Confident	41 Å²	41	62 Å²	62	25%	0.252	35%	0.347	S	S	.	.	H	α-helix	trans	-62.8	-39.5	177.6	-50.3	0	0	0	0	112	W108 F112 K113 L114 L124	W108-T116 HydrophobicContact CZ3-CG2 4.35Å; F112-T116 WeakPolarHBondContact O-CB 3.44Å; F112-T116 PolarHBondContact O-N 2.94Å; F112-T116 PolarHBondContact O-OG1 3.42Å; K113-T116 WeakPolarHBondContact O-CB 3.3Å; K113-T116 PolarHBondContact O-N 3.25Å; K113-T116 VanDerWaalsContact O-N 3.17Å; L114-T116 VanDerWaalsContact C-N 3.35Å; T116-L124 HydrophobicContact CG2-CD1 4.26Å; T116-L124 WeakPolarHBondContact OG1-CD1 3.37Å
117	E	76.4	Confident	77	Confident	139 Å²	139	59.6 Å²	59.6	65%	0.65	32%	0.318	S	S	*	.	H	α-helix	trans	-70.5	-40.2	178.9	-73.6	167.2	-167.8	0	0	112.7	K113 L114 I115	K113-E117 WeakPolarHBondContact O-CG 3.47Å; K113-E117 PolarHBondContact O-N 3.08Å; L114-E117 PolarHBondContact O-N 3.4Å; I115-E117 VanDerWaalsContact C-N 3.33Å; I115-E117 PolarHBondContact O-N 3Å
118	N	69	Low	78.4	Confident	71 Å²	71	59.9 Å²	59.9	38%	0.38	32%	0.321	S	S	.	.	H	α-helix	trans	-83.1	-24.4	-178.4	-73.2	-85.1	0	0	0	113.3	I85 L114 I115 P120	I85-N118 HydrophobicContact CG2-CB 4.41Å; L114-N118 WeakPolarHBondContact O-CB 3.33Å; L114-N118 PolarHBondContact O-N 3.38Å; L114-N118 PolarHBondContact O-ND2 3.23Å; I115-N118 PolarHBondContact O-N 3.5Å; N118-P120 VanDerWaalsContact C-CD 3.46Å; N118-P120 WeakPolarHBondContact O-CD 3.22Å
119	F	77.3	Confident	79	Confident	18 Å²	18	56.8 Å²	56.8	8%	0.079	31%	0.309	C	S	.	.			trans	-127.7	62.9	-176.6	-59.1	-83.6	0	0	0	112.6	I85 L88 H89 I115 S121 V122	I85-F119 HydrophobicContact CG2-CE2 4.38Å; L88-F119 HydrophobicContact CB-CE1 4.23Å; L88-F119 HydrophobicContact CB-CE2 3.62Å; L88-F119 HydrophobicContact CB-CZ 3.4Å; L88-F119 VanDerWaalsContact CB-CZ 3.4Å; L88-F119 HydrophobicContact CD1-CE2 3.98Å; L88-F119 HydrophobicContact CG-CE2 4.48Å; H89-F119 HydrophobicContact CB-CZ 4.45Å; H89-F119 AromaticContact CD2-CE1 3.86Å; H89-F119 AromaticContact CD2-CZ 4Å; H89-F119 AromaticContact CE1-CE1 3.99Å; H89-F119 AromaticContact CE1-CZ 3.47Å; H89-F119 VanDerWaalsContact CE1-CZ 3.47Å; H89-F119 WeakPolarHBondContact CE1-CZ 3.1Å; H89-F119 AromaticContact CG-CE1 3.94Å; H89-F119 AromaticContact CG-CZ 3.71Å; H89-F119 AromaticContact ND1-CZ 3.37Å; H89-F119 WeakPolarHBondContact ND1-CZ 3.45Å; H89-F119 AromaticContact NE2-CE1 3.9Å; H89-F119 AromaticContact NE2-CZ 3.86Å; I115-F119 HydrophobicContact CG2-CD2 4.13Å; I115-F119 WeakPolarHBondContact O-CB 3.42Å; I115-F119 PolarHBondContact O-N 3Å; F119-S121 PolarHBondContact O-N 3.46Å; F119-V122 HydrophobicContact CB-CB 4.01Å; F119-V122 HydrophobicContact CB-CG2 3.84Å; F119-V122 HydrophobicContact CD1-CG2 4.24Å; F119-V122 HydrophobicContact CG-CG2 4.45Å; F119-V122 PolarHBondContact O-N 3.41Å
120	P	69.6	Low	79.5	Confident	112 Å²	112	60.7 Å²	60.7	73%	0.727	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-19.4	-176.7	27.6	-35.5	0	0	0	113.8	N118	N118-P120 VanDerWaalsContact C-CD 3.46Å; N118-P120 WeakPolarHBondContact O-CD 3.22Å
121	S	68.8	Low	80.2	Confident	112 Å²	112	61.5 Å²	61.5	78%	0.783	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-3.8	179.5	57.5	0	0	0	0	114.2	F119	F119-S121 PolarHBondContact O-N 3.46Å
122	V	79.9	Confident	80.7	Confident	19 Å²	19	61.8 Å²	61.8	12%	0.115	33%	0.325	C	S	.	.	S	Bend	trans	-102.6	134.2	-174.9	-179.4	0	0	0	0	110	P93 I96 F119 L124	P93-V122 HydrophobicContact CB-CG1 4.45Å; P93-V122 HydrophobicContact CG-CG1 4.25Å; P93-V122 WeakPolarHBondContact O-CG1 3.32Å; P93-V122 WeakPolarHBondContact O-CG2 3.38Å; I96-V122 HydrophobicContact CD1-CG1 3.89Å; I96-V122 HydrophobicContact CG1-CG1 3.8Å; F119-V122 HydrophobicContact CB-CB 4.01Å; F119-V122 HydrophobicContact CB-CG2 3.84Å; F119-V122 HydrophobicContact CD1-CG2 4.24Å; F119-V122 HydrophobicContact CG-CG2 4.45Å; F119-V122 PolarHBondContact O-N 3.41Å; V122-L124 PolarHBondContact O-N 2.78Å
123	N	82.4	Confident	81	Confident	112 Å²	112	63.9 Å²	63.9	60%	0.599	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.4	178.7	-75.5	-17.4	0	0	0	110.6	E95 I96	E95-N123 CarbonylContact C-O 3.48Å; E95-N123 WeakPolarHBondContact CA-O 3.43Å; E95-N123 HydrophobicContact CG-CB 4.2Å; E95-N123 WeakPolarHBondContact CG-O 3.41Å; I96-N123 PolarHBondContact N-O 3.11Å
124	L	84.4	Confident	81.3	Confident	47 Å²	47	61.9 Å²	61.9	25%	0.246	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.8	176.5	-82.6	154.7	0	0	0	109.9	I96 M98 F112 I115 T116 V122	I96-L124 HydrophobicContact CB-CD2 3.86Å; I96-L124 HydrophobicContact CG2-CD2 3.91Å; I96-L124 WeakPolarHBondContact O-CA 3.46Å; M98-L124 HydrophobicContact SD-CD2 4.39Å; F112-L124 HydrophobicContact CE2-CB 4.49Å; F112-L124 HydrophobicContact CE2-CD2 4.36Å; F112-L124 HydrophobicContact CZ-CB 4.35Å; I115-L124 HydrophobicContact CG2-CD1 4.45Å; I115-L124 HydrophobicContact CG2-CD2 3.9Å; T116-L124 HydrophobicContact CG2-CD1 4.26Å; T116-L124 WeakPolarHBondContact OG1-CD1 3.37Å; V122-L124 PolarHBondContact O-N 2.78Å
125	T	85.8	Confident	81.8	Confident	38 Å²	38	67.4 Å²	67.4	23%	0.233	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	124.9	-175.7	-63.9	0	0	0	0	111.4	E95 I96 L97 M98 Y172	E95-T125 WeakPolarHBondContact OE1-CB 3.25Å; E95-T125 PolarHBondContact OE1-OG1 3.46Å; I96-T125 PolarHBondContact O-N 3.27Å; L97-T125 WeakPolarHBondContact CA-O 3.39Å; L97-T125 HydrophobicContact CD2-CG2 4.32Å; M98-T125 PolarHBondContact N-O 2.89Å; T125-Y172 HydrophobicContact CG2-CE2 3.75Å
126	A	84.8	Confident	82	Confident	53 Å²	53	72.4 Å²	72.4	44%	0.438	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.3	-179.8	0	0	0	0	0	111.3	M98	M98-A126 CarbonylContact O-C 3.57Å; M98-A126 WeakPolarHBondContact O-CA 3.35Å
127	I	86.1	Confident	82.1	Confident	17 Å²	17	70.4 Å²	70.4	9%	0.087	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.8	-179.5	-62.2	179.7	0	0	0	110.6	L97 M98 P99 D100 R129 Y131 Y132 Y172	L97-I127 HydrophobicContact CB-CD1 3.74Å; L97-I127 HydrophobicContact CB-CG1 4.48Å; L97-I127 HydrophobicContact CD1-CD1 3.8Å; L97-I127 HydrophobicContact CD2-CD1 4.09Å; L97-I127 HydrophobicContact CG-CD1 4.07Å; M98-I127 PolarHBondContact O-N 3.33Å; P99-I127 CarbonylContact C-O 3.52Å; P99-I127 VanDerWaalsContact CA-O 3.26Å; P99-I127 WeakPolarHBondContact CA-O 3.26Å; D100-I127 PolarHBondContact N-O 3.19Å; I127-R129 PolarHBondContact O-N 2.89Å; I127-Y131 HydrophobicContact CG2-CD2 3.86Å; I127-Y131 HydrophobicContact CG2-CG 4.34Å; I127-Y132 HydrophobicContact CB-CE2 4Å; I127-Y132 HydrophobicContact CG2-CE2 4.08Å; I127-Y172 HydrophobicContact CD1-CD2 3.62Å; I127-Y172 HydrophobicContact CD1-CG 3.99Å; I127-Y172 HydrophobicContact CG1-CD2 4.14Å
128	Q	85.1	Confident	82.5	Confident	96 Å²	96	65.7 Å²	65.7	45%	0.449	34%	0.341	S	S	.	.			trans	-57.5	131.7	179.3	-65.3	-178.1	-3.2	0	0	112.6	D100 K130 Y131	D100-Q128 WeakPolarHBondContact OD2-CA 3.37Å; Q128-K130 HydrophobicContact CB-CD 4.34Å; Q128-K130 HydrophobicContact CB-CG 4.02Å; Q128-K130 PolarHBondContact O-N 3.25Å; Q128-Y131 HydrophobicContact CB-CD2 3.84Å; Q128-Y131 HydrophobicContact CB-CE2 3.93Å; Q128-Y131 WeakPolarHBondContact O-CD2 3.34Å; Q128-Y131 PolarHBondContact O-N 2.62Å
129	R	83.1	Confident	83.4	Confident	59 Å²	59	67.2 Å²	67.2	22%	0.223	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-52.8	-29.3	-177	-174.6	63.3	-176	-167.1	3.8	114.2	D100 T101 I127 Y131 Y132	D100-R129 PolarHBondContact OD1-N 3.15Å; T101-R129 HydrophobicContact CG2-CB 4.07Å; T101-R129 HydrophobicContact CG2-CG 4.38Å; I127-R129 PolarHBondContact O-N 2.89Å; R129-Y131 PolarHBondContact O-N 2.77Å; R129-Y132 PolarHBondContact O-N 3.22Å
130	K	84.9	Confident	83.6	Confident	126 Å²	126	68 Å²	68	55%	0.548	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-56.1	-22.3	177.2	72.4	-172.6	-168	-167.4	0	114.2	Q128	Q128-K130 HydrophobicContact CB-CD 4.34Å; Q128-K130 HydrophobicContact CB-CG 4.02Å; Q128-K130 PolarHBondContact O-N 3.25Å
131	Y	86.1	Confident	84.2	Confident	78 Å²	78	62.9 Å²	62.9	31%	0.306	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-87.3	-14.7	178.6	-61.7	-66.3	0	0	0	113.5	I127 Q128 R129 N133 A167 A168 K171	I127-Y131 HydrophobicContact CG2-CD2 3.86Å; I127-Y131 HydrophobicContact CG2-CG 4.34Å; Q128-Y131 HydrophobicContact CB-CD2 3.84Å; Q128-Y131 HydrophobicContact CB-CE2 3.93Å; Q128-Y131 WeakPolarHBondContact O-CD2 3.34Å; Q128-Y131 PolarHBondContact O-N 2.62Å; R129-Y131 PolarHBondContact O-N 2.77Å; Y131-N133 PolarHBondContact O-N 3.3Å; Y131-N133 VanDerWaalsContact O-N 3.13Å; Y131-A167 WeakPolarHBondContact O-CB 3.41Å; Y131-A168 PolarHBondContact O-N 2.96Å; Y131-K171 HydrophobicContact CD1-CG 3.73Å; Y131-K171 HydrophobicContact CE1-CG 4.05Å; Y131-K171 HydrophobicContact CG-CG 4.41Å
132	Y	88.1	Confident	84.8	Confident	7 Å²	7	62.4 Å²	62.4	3%	0.027	30%	0.3	C	S	.	.			trans	-84.7	79.3	172.6	-72	-98.4	0	0	0	109.6	V48 L97 M98 P99 I127 R129 A164 T165 A168	V48-Y132 HydrophobicContact CB-CD1 4.18Å; V48-Y132 HydrophobicContact CB-CE1 4.14Å; V48-Y132 HydrophobicContact CG2-CD1 4.18Å; V48-Y132 HydrophobicContact CG2-CE1 4.44Å; L97-Y132 PolarHBondContact O-OH 2.93Å; M98-Y132 WeakPolarHBondContact CA-OH 3.33Å; P99-Y132 HydrophobicContact CB-CD2 4.01Å; P99-Y132 HydrophobicContact CB-CE2 3.72Å; I127-Y132 HydrophobicContact CB-CE2 4Å; I127-Y132 HydrophobicContact CG2-CE2 4.08Å; R129-Y132 PolarHBondContact O-N 3.22Å; Y132-A164 WeakPolarHBondContact CA-O 3.43Å; Y132-A164 WeakPolarHBondContact CD1-O 3.45Å; Y132-T165 HydrophobicContact CD1-CG2 4.36Å; Y132-T165 HydrophobicContact CE1-CG2 4.02Å; Y132-A168 HydrophobicContact CD1-CB 3.73Å; Y132-A168 HydrophobicContact CD2-CB 3.78Å; Y132-A168 HydrophobicContact CE1-CB 3.55Å; Y132-A168 HydrophobicContact CE2-CB 3.59Å; Y132-A168 HydrophobicContact CG-CB 3.84Å; Y132-A168 VanDerWaalsContact CZ-CB 3.47Å
133	N	88.3	Confident	84.7	Confident	59 Å²	59	67.1 Å²	67.1	32%	0.316	32%	0.321	S	S	.	.			trans	-127.7	121.9	-176.1	-173.2	-33.3	0	0	0	111	Y131 K135 K136 G137 A167	Y131-N133 PolarHBondContact O-N 3.3Å; Y131-N133 VanDerWaalsContact O-N 3.13Å; N133-K135 PolarHBondContact OD1-N 3.39Å; N133-K136 HydrophobicContact CB-CB 4.31Å; N133-K136 HydrophobicContact CB-CG 4.41Å; N133-K136 PolarHBondContact O-N 3.12Å; N133-G137 PolarHBondContact O-N 3.29Å; N133-A167 VanDerWaalsContact O-CB 3.3Å; N133-A167 WeakPolarHBondContact O-CB 3.34Å
134	E	86.7	Confident	84	Confident	59 Å²	59	62.8 Å²	62.8	28%	0.276	30%	0.297	S	S	.	.	H	α-helix	trans	-55.9	-49.8	178.4	177.3	-171.7	-149.1	0	0	113.3	K136 G137 L138 Y160 L163	E134-K136 VanDerWaalsContact C-N 3.31Å; E134-K136 PolarHBondContact O-N 3.13Å; E134-G137 WeakPolarHBondContact O-CA 3.27Å; E134-G137 PolarHBondContact O-N 2.95Å; E134-L138 PolarHBondContact O-N 2.91Å; E134-Y160 HydrophobicContact CB-CD2 3.66Å; E134-Y160 HydrophobicContact CB-CE2 3.8Å; E134-Y160 HydrophobicContact CG-CD2 4.09Å; E134-Y160 WeakPolarHBondContact OE2-CD2 3.42Å; E134-L163 HydrophobicContact CB-CB 4.31Å; E134-L163 HydrophobicContact CG-CB 3.98Å; E134-L163 HydrophobicContact CG-CD1 3.57Å; E134-L163 HydrophobicContact CG-CG 4.41Å
135	K	86.9	Confident	83.4	Confident	153 Å²	153	60.9 Å²	60.9	67%	0.665	29%	0.288	S	S	*	.	H	α-helix	trans	-60.2	-44.6	-175.8	-65.6	-173.5	177.1	-173.5	0	111.3	N133 L138 E139	N133-K135 PolarHBondContact OD1-N 3.39Å; K135-L138 PolarHBondContact O-N 2.74Å; K135-E139 WeakPolarHBondContact O-CG 3.4Å; K135-E139 PolarHBondContact O-N 2.77Å
136	K	85.9	Confident	82.2	Confident	104 Å²	104	59.7 Å²	59.7	45%	0.452	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-38.4	175.6	-68.5	-169.9	174.9	-174.4	0	112	N133 E134 L138 E139 Y140 A167	N133-K136 HydrophobicContact CB-CB 4.31Å; N133-K136 HydrophobicContact CB-CG 4.41Å; N133-K136 PolarHBondContact O-N 3.12Å; E134-K136 VanDerWaalsContact C-N 3.31Å; E134-K136 PolarHBondContact O-N 3.13Å; K136-L138 VanDerWaalsContact C-N 3.32Å; K136-L138 PolarHBondContact O-N 2.69Å; K136-E139 PolarHBondContact O-N 3.3Å; K136-Y140 HydrophobicContact CB-CD2 4.43Å; K136-Y140 HydrophobicContact CB-CE2 4.33Å; K136-Y140 WeakPolarHBondContact O-CB 3.41Å; K136-Y140 WeakPolarHBondContact O-CD2 3.42Å; K136-Y140 PolarHBondContact O-N 3.03Å; K136-A167 HydrophobicContact CB-CB 4.48Å
137	G	84.6	Confident	80.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.4	-44.9	175.1	0	0	0	0	0	111.8	N133 E134 Y140 I141	N133-G137 PolarHBondContact O-N 3.29Å; E134-G137 WeakPolarHBondContact O-CA 3.27Å; E134-G137 PolarHBondContact O-N 2.95Å; G137-Y140 PolarHBondContact O-N 3.25Å; G137-I141 WeakPolarHBondContact O-CD1 3.39Å; G137-I141 VanDerWaalsContact O-CG1 3.27Å; G137-I141 WeakPolarHBondContact O-CG1 3.1Å; G137-I141 PolarHBondContact O-N 3.2Å
138	L	85.8	Confident	79.4	Confident	40 Å²	40	67 Å²	67	21%	0.209	32%	0.315	C	S	.	.	H	α-helix	trans	-64.5	-46.7	176.9	-171.6	70	0	0	0	111.6	E134 K135 K136 Y140 I141 Q142 L153 Q157 L163	E134-L138 PolarHBondContact O-N 2.91Å; K135-L138 PolarHBondContact O-N 2.74Å; K136-L138 VanDerWaalsContact C-N 3.32Å; K136-L138 PolarHBondContact O-N 2.69Å; L138-Y140 VanDerWaalsContact C-N 3.32Å; L138-Y140 PolarHBondContact O-N 3.43Å; L138-I141 PolarHBondContact O-N 3.27Å; L138-Q142 WeakPolarHBondContact O-CB 3.49Å; L138-Q142 VanDerWaalsContact O-CG 3.28Å; L138-Q142 WeakPolarHBondContact O-CG 3.1Å; L138-Q142 PolarHBondContact O-N 2.91Å; L138-L153 HydrophobicContact CD1-CD2 3.87Å; L138-Q157 HydrophobicContact CD1-CG 3.8Å; L138-Q157 HydrophobicContact CD2-CG 4.48Å; L138-L163 HydrophobicContact CB-CD1 4.35Å; L138-L163 HydrophobicContact CB-CD2 4.3Å; L138-L163 HydrophobicContact CD1-CD1 4.38Å; L138-L163 HydrophobicContact CD1-CD2 4.27Å
139	E	85.9	Confident	78.3	Confident	103 Å²	103	65.3 Å²	65.3	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-56.6	-45.1	175.1	-74.3	167.8	-168.8	0	0	111.5	K135 K136 Q142 Q143	K135-E139 WeakPolarHBondContact O-CG 3.4Å; K135-E139 PolarHBondContact O-N 2.77Å; K136-E139 PolarHBondContact O-N 3.3Å; E139-Q142 PolarHBondContact O-N 3.37Å; E139-Q143 WeakPolarHBondContact O-CB 3.28Å; E139-Q143 VanDerWaalsContact O-CG 3.28Å; E139-Q143 WeakPolarHBondContact O-CG 3.31Å; E139-Q143 PolarHBondContact O-N 3.17Å
140	Y	82.1	Confident	77.5	Confident	35 Å²	35	64.3 Å²	64.3	14%	0.137	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-43.9	178.5	-77.2	-49.1	0	0	0	112.7	K136 G137 L138 Q142 Q143 L144 L170 K171 E174	K136-Y140 HydrophobicContact CB-CD2 4.43Å; K136-Y140 HydrophobicContact CB-CE2 4.33Å; K136-Y140 WeakPolarHBondContact O-CB 3.41Å; K136-Y140 WeakPolarHBondContact O-CD2 3.42Å; K136-Y140 PolarHBondContact O-N 3.03Å; G137-Y140 PolarHBondContact O-N 3.25Å; L138-Y140 VanDerWaalsContact C-N 3.32Å; L138-Y140 PolarHBondContact O-N 3.43Å; Y140-Q142 VanDerWaalsContact C-N 3.35Å; Y140-Q143 PolarHBondContact O-N 2.78Å; Y140-L144 VanDerWaalsContact O-CB 3.26Å; Y140-L144 WeakPolarHBondContact O-CB 3.02Å; Y140-L144 VanDerWaalsContact O-CG 3.3Å; Y140-L144 WeakPolarHBondContact O-CG 2.9Å; Y140-L144 PolarHBondContact O-N 3.25Å; Y140-L170 HydrophobicContact CG-CD1 4.33Å; Y140-K171 PolarHBondContact OH-NZ 3.31Å; Y140-E174 PolarHBondContact OH-OE2 3.03Å
141	I	82.9	Confident	76.4	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-42.5	176.8	-64.9	162.9	0	0	0	109.8	L72 G137 L138 Q143 L144 C145 L153 L163 A166 V188	L72-I141 HydrophobicContact CD1-CD1 3.61Å; L72-I141 HydrophobicContact CD1-CG1 4.44Å; G137-I141 WeakPolarHBondContact O-CD1 3.39Å; G137-I141 VanDerWaalsContact O-CG1 3.27Å; G137-I141 WeakPolarHBondContact O-CG1 3.1Å; G137-I141 PolarHBondContact O-N 3.2Å; L138-I141 PolarHBondContact O-N 3.27Å; I141-Q143 VanDerWaalsContact C-N 3.29Å; I141-Q143 PolarHBondContact O-N 2.98Å; I141-L144 PolarHBondContact O-N 3.33Å; I141-C145 HydrophobicContact CG2-CB 4.15Å; I141-C145 WeakPolarHBondContact O-CA 3.43Å; I141-C145 WeakPolarHBondContact O-CB 3.32Å; I141-C145 PolarHBondContact O-N 3.17Å; I141-L153 HydrophobicContact CB-CD2 4.13Å; I141-L153 HydrophobicContact CG2-CD2 3.53Å; I141-L153 HydrophobicContact CG2-CG 4.3Å; I141-L163 HydrophobicContact CD1-CD2 3.48Å; I141-L163 VanDerWaalsContact CD1-CD2 3.48Å; I141-A166 HydrophobicContact CD1-CB 4.14Å; I141-V188 HydrophobicContact CG2-CG1 4.23Å; I141-V188 HydrophobicContact CG2-CG2 4.4Å
142	Q	81.8	Confident	75.6	Confident	102 Å²	102	55.8 Å²	55.8	48%	0.477	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-35.4	176.9	-74.8	175.4	-11.7	0	0	113.1	L138 E139 Y140 L153	L138-Q142 WeakPolarHBondContact O-CB 3.49Å; L138-Q142 VanDerWaalsContact O-CG 3.28Å; L138-Q142 WeakPolarHBondContact O-CG 3.1Å; L138-Q142 PolarHBondContact O-N 2.91Å; E139-Q142 PolarHBondContact O-N 3.37Å; Y140-Q142 VanDerWaalsContact C-N 3.35Å; Q142-L153 HydrophobicContact CG-CD1 3.84Å; Q142-L153 HydrophobicContact CG-CD2 3.84Å
143	Q	76.5	Confident	75	Confident	118 Å²	118	56.7 Å²	56.7	55%	0.551	28%	0.282	S	S	*	.	H	α-helix	trans	-80.2	-39.1	179.4	-72.1	176.1	3.8	0	0	113.2	E139 Y140 I141 A183 K184	E139-Q143 WeakPolarHBondContact O-CB 3.28Å; E139-Q143 VanDerWaalsContact O-CG 3.28Å; E139-Q143 WeakPolarHBondContact O-CG 3.31Å; E139-Q143 PolarHBondContact O-N 3.17Å; Y140-Q143 PolarHBondContact O-N 2.78Å; I141-Q143 VanDerWaalsContact C-N 3.29Å; I141-Q143 PolarHBondContact O-N 2.98Å; Q143-A183 WeakPolarHBondContact O-CA 3.35Å; Q143-K184 PolarHBondContact O-N 2.89Å
144	L	68.6	Low	74.1	Confident	21 Å²	21	56.7 Å²	56.7	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-95.8	-27.5	-170.5	-62.4	174.4	0	0	0	113.6	Y140 I141 A146 L170 Y181 K184 S185 L186	Y140-L144 VanDerWaalsContact O-CB 3.26Å; Y140-L144 WeakPolarHBondContact O-CB 3.02Å; Y140-L144 VanDerWaalsContact O-CG 3.3Å; Y140-L144 WeakPolarHBondContact O-CG 2.9Å; Y140-L144 PolarHBondContact O-N 3.25Å; I141-L144 PolarHBondContact O-N 3.33Å; L144-A146 PolarHBondContact O-N 3.24Å; L144-L170 HydrophobicContact CD1-CD1 3.98Å; L144-L170 HydrophobicContact CD1-CD2 4.16Å; L144-Y181 WeakPolarHBondContact CD2-O 3.4Å; L144-K184 CarbonylContact O-C 3.52Å; L144-K184 WeakPolarHBondContact O-CA 3.4Å; L144-K184 PolarHBondContact O-N 2.89Å; L144-S185 PolarHBondContact O-N 3.04Å; L144-L186 HydrophobicContact CB-CB 4.33Å; L144-L186 WeakPolarHBondContact O-CB 3.3Å; L144-L186 PolarHBondContact O-N 3Å
145	C	71.3	Confident	73.3	Confident	7 Å²	7	54.2 Å²	54.2	5%	0.047	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-65.8	130	-177.8	-171	0	0	0	0	111.2	I141 F149 K184 L186 V188	I141-C145 HydrophobicContact CG2-CB 4.15Å; I141-C145 WeakPolarHBondContact O-CA 3.43Å; I141-C145 WeakPolarHBondContact O-CB 3.32Å; I141-C145 PolarHBondContact O-N 3.17Å; C145-F149 PolarHBondContact SG-O 3.4Å; C145-F149 VanDerWaalsContact SG-O 3.39Å; C145-K184 WeakPolarHBondContact O-CA 3.37Å; C145-L186 WeakPolarHBondContact CA-O 3.3Å; C145-V188 HydrophobicContact CB-CB 4.43Å; C145-V188 HydrophobicContact CB-CG2 3.77Å
146	A	60.5	Low	73	Confident	13 Å²	13	47 Å²	47	11%	0.107	24%	0.238	C	C	.	.			trans	-61.5	142.5	172.1	0	0	0	0	0	110.8	L144 E148 F149 A150 K184 L186	L144-A146 PolarHBondContact O-N 3.24Å; A146-E148 PolarHBondContact O-N 3.19Å; A146-E148 VanDerWaalsContact O-N 3.1Å; A146-F149 HydrophobicContact CB-CD2 4.08Å; A146-F149 PolarHBondContact O-N 3.13Å; A146-A150 PolarHBondContact O-N 3.48Å; A146-K184 WeakPolarHBondContact CA-O 3.37Å; A146-K184 WeakPolarHBondContact CB-O 3.46Å; A146-L186 PolarHBondContact N-O 3.44Å
147	P	58.8	Low	72.6	Confident	92 Å²	92	47 Å²	47	60%	0.597	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-58.9	-29.4	-171.6	23.1	-34	0	0	0	113.3	F149 A150	P147-F149 VanDerWaalsContact C-N 3.28Å; P147-F149 PolarHBondContact O-N 3.26Å; P147-A150 WeakPolarHBondContact O-CB 3.36Å; P147-A150 PolarHBondContact O-N 3.33Å
148	E	53.9	Low	72.1	Confident	132 Å²	132	50.6 Å²	50.6	62%	0.617	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-66.1	-26.9	176.6	-65.7	157.8	-166.7	0	0	113.1	A146	A146-E148 PolarHBondContact O-N 3.19Å; A146-E148 VanDerWaalsContact O-N 3.1Å
149	F	60.9	Low	71.9	Confident	61 Å²	61	50.3 Å²	50.3	27%	0.268	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-107.7	8.7	-179.9	-57.2	-78.7	0	0	0	112.6	C145 A146 P147 T151 V152 K187	C145-F149 PolarHBondContact SG-O 3.4Å; C145-F149 VanDerWaalsContact SG-O 3.39Å; A146-F149 HydrophobicContact CB-CD2 4.08Å; A146-F149 PolarHBondContact O-N 3.13Å; P147-F149 VanDerWaalsContact C-N 3.28Å; P147-F149 PolarHBondContact O-N 3.26Å; F149-T151 PolarHBondContact O-N 3.43Å; F149-T151 VanDerWaalsContact O-N 3.14Å; F149-V152 PolarHBondContact O-N 3.48Å; F149-K187 HydrophobicContact CD1-CG 4.15Å; F149-K187 HydrophobicContact CD2-CB 4.37Å; F149-K187 HydrophobicContact CD2-CG 4.04Å; F149-K187 HydrophobicContact CE1-CD 4.34Å; F149-K187 HydrophobicContact CE1-CG 3.95Å; F149-K187 HydrophobicContact CE2-CB 4.28Å; F149-K187 HydrophobicContact CE2-CD 4.43Å; F149-K187 HydrophobicContact CE2-CG 3.84Å; F149-K187 HydrophobicContact CG-CG 4.2Å; F149-K187 HydrophobicContact CZ-CD 4.05Å; F149-K187 HydrophobicContact CZ-CG 3.8Å
150	A	66.3	Low	71.9	Confident	38 Å²	38	49.7 Å²	49.7	31%	0.314	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.5	-179	0	0	0	0	0	113	A146 P147 V152 L153	A146-A150 PolarHBondContact O-N 3.48Å; P147-A150 WeakPolarHBondContact O-CB 3.36Å; P147-A150 PolarHBondContact O-N 3.33Å; A150-V152 PolarHBondContact O-N 2.79Å; A150-L153 VanDerWaalsContact O-CB 3.24Å; A150-L153 WeakPolarHBondContact O-CB 3.12Å; A150-L153 WeakPolarHBondContact O-CG 3.46Å; A150-L153 PolarHBondContact O-N 2.79Å
151	T	62.1	Low	72.2	Confident	18 Å²	18	49.2 Å²	49.2	11%	0.11	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-29	175.5	52.5	0	0	0	0	112.8	F149 L153 M154 S634	F149-T151 PolarHBondContact O-N 3.43Å; F149-T151 VanDerWaalsContact O-N 3.14Å; T151-L153 PolarHBondContact O-N 3Å; T151-L153 VanDerWaalsContact O-N 3.1Å; T151-M154 WeakPolarHBondContact O-CB 3.45Å; T151-M154 PolarHBondContact O-N 3.07Å; T151-S634 WeakPolarHBondContact CG2-OG 3.35Å
152	V	70.1	Confident	72.5	Confident	6 Å²	6	49.1 Å²	49.1	4%	0.036	26%	0.258	C	S	.	.	H	α-helix	trans	-58.5	-25.3	175.5	176.3	0	0	0	0	112.3	F149 A150 M154 E155 V156 V188 F190	F149-V152 PolarHBondContact O-N 3.48Å; A150-V152 PolarHBondContact O-N 2.79Å; V152-M154 PolarHBondContact O-N 3.38Å; V152-E155 PolarHBondContact O-N 2.61Å; V152-E155 VanDerWaalsContact O-N 3.14Å; V152-V156 HydrophobicContact CG1-CG2 3.65Å; V152-V156 WeakPolarHBondContact O-CG2 3.37Å; V152-V156 PolarHBondContact O-N 2.94Å; V152-V156 VanDerWaalsContact O-N 3.1Å; V152-V188 HydrophobicContact CG1-CG1 4.2Å; V152-V188 WeakPolarHBondContact CG2-O 3.39Å; V152-F190 HydrophobicContact CG1-CB 3.89Å
153	L	75.6	Confident	72.8	Confident	26 Å²	26	44.3 Å²	44.3	14%	0.136	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-33	175.3	-71	168.1	0	0	0	112.5	L138 I141 Q142 A150 T151 E155 Q157	L138-L153 HydrophobicContact CD1-CD2 3.87Å; I141-L153 HydrophobicContact CB-CD2 4.13Å; I141-L153 HydrophobicContact CG2-CD2 3.53Å; I141-L153 HydrophobicContact CG2-CG 4.3Å; Q142-L153 HydrophobicContact CG-CD1 3.84Å; Q142-L153 HydrophobicContact CG-CD2 3.84Å; A150-L153 VanDerWaalsContact O-CB 3.24Å; A150-L153 WeakPolarHBondContact O-CB 3.12Å; A150-L153 WeakPolarHBondContact O-CG 3.46Å; A150-L153 PolarHBondContact O-N 2.79Å; T151-L153 PolarHBondContact O-N 3Å; T151-L153 VanDerWaalsContact O-N 3.1Å; L153-E155 VanDerWaalsContact C-N 3.28Å; L153-E155 PolarHBondContact O-N 2.69Å; L153-Q157 WeakPolarHBondContact O-CB 3.38Å; L153-Q157 WeakPolarHBondContact O-CG 3.46Å; L153-Q157 PolarHBondContact O-N 3.49Å; L153-Q157 VanDerWaalsContact O-N 3.09Å
154	M	69.1	Low	73.5	Confident	59 Å²	59	38.7 Å²	38.7	29%	0.291	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-37	179.1	-63.1	-172.9	69.1	0	0	111.8	T151 V152 L628 K631 E632	T151-M154 WeakPolarHBondContact O-CB 3.45Å; T151-M154 PolarHBondContact O-N 3.07Å; V152-M154 PolarHBondContact O-N 3.38Å; M154-L628 HydrophobicContact CE-CD1 3.82Å; M154-K631 HydrophobicContact CE-CB 4.36Å; M154-K631 HydrophobicContact SD-CB 3.55Å; M154-K631 VanDerWaalsContact SD-CB 3.55Å; M154-K631 HydrophobicContact SD-CD 4.5Å; M154-E632 HydrophobicContact CE-CG 3.63Å
155	E	70.4	Confident	74.6	Confident	8 Å²	8	37.7 Å²	37.7	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-81	-35.8	-178.2	-159.1	-166.7	164.9	0	0	112.4	V152 L153 K159 F190 Y635	V152-E155 PolarHBondContact O-N 2.61Å; V152-E155 VanDerWaalsContact O-N 3.14Å; L153-E155 VanDerWaalsContact C-N 3.28Å; L153-E155 PolarHBondContact O-N 2.69Å; E155-K159 WeakPolarHBondContact O-CD 3.42Å; E155-K159 WeakPolarHBondContact O-CE 3.49Å; E155-K159 IonicContact OE1-NZ 3.79Å; E155-K159 PolarHBondContact OE1-NZ 3.23Å; E155-F190 HydrophobicContact CG-CD1 4.39Å; E155-F190 WeakPolarHBondContact OE1-CD1 3.44Å; E155-F190 WeakPolarHBondContact OE1-CE1 3.27Å; E155-F190 WeakPolarHBondContact OE2-CB 3.27Å; E155-F190 WeakPolarHBondContact OE2-CD1 3.5Å; E155-F190 WeakPolarHBondContact OE2-CG 3.44Å; E155-Y635 HydrophobicContact CB-CE2 4.35Å; E155-Y635 PolarHBondContact OE2-OH 3.24Å
156	V	79.6	Confident	75.5	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-87.1	-19.6	-172	-175.1	0	0	0	0	112.3	L72 V152 A158 K159 C162 L163 F190	L72-V156 HydrophobicContact CD1-CG1 4.17Å; L72-V156 HydrophobicContact CD1-CG2 4.23Å; V152-V156 HydrophobicContact CG1-CG2 3.65Å; V152-V156 WeakPolarHBondContact O-CG2 3.37Å; V152-V156 PolarHBondContact O-N 2.94Å; V152-V156 VanDerWaalsContact O-N 3.1Å; V156-A158 VanDerWaalsContact C-N 3.27Å; V156-A158 PolarHBondContact O-N 3.31Å; V156-K159 WeakPolarHBondContact O-CB 3.45Å; V156-K159 PolarHBondContact O-N 3.26Å; V156-C162 HydrophobicContact CG1-CB 4.29Å; V156-L163 HydrophobicContact CG1-CD1 4.46Å; V156-L163 HydrophobicContact CG1-CD2 3.41Å; V156-L163 VanDerWaalsContact CG1-CD2 3.41Å; V156-L163 HydrophobicContact CG1-CG 3.66Å; V156-L163 WeakPolarHBondContact O-CD1 3.35Å; V156-F190 HydrophobicContact CG2-CB 4Å; V156-F190 HydrophobicContact CG2-CD2 3.74Å; V156-F190 HydrophobicContact CG2-CG 4.14Å
157	Q	77.5	Confident	76.9	Confident	102 Å²	102	36.8 Å²	36.8	48%	0.477	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.4	-179.4	-91.5	169.9	29.7	0	0	114.3	L138 L153 K159	L138-Q157 HydrophobicContact CD1-CG 3.8Å; L138-Q157 HydrophobicContact CD2-CG 4.48Å; L153-Q157 WeakPolarHBondContact O-CB 3.38Å; L153-Q157 WeakPolarHBondContact O-CG 3.46Å; L153-Q157 PolarHBondContact O-N 3.49Å; L153-Q157 VanDerWaalsContact O-N 3.09Å; Q157-K159 VanDerWaalsContact C-N 3.33Å
158	A	75.1	Confident	78.4	Confident	76 Å²	76	32.4 Å²	32.4	63%	0.628	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.3	177.4	0	0	0	0	0	113.5	V156	V156-A158 VanDerWaalsContact C-N 3.27Å; V156-A158 PolarHBondContact O-N 3.31Å
159	K	81.8	Confident	80	Confident	35 Å²	35	26.1 Å²	26.1	15%	0.152	14%	0.14	C	C	.	.			trans	-105.6	79.2	-168.5	-64.8	-173.5	-171	-178.6	0	111.4	Q74 E155 V156 Q157 Y161 C162 L163 F190	Q74-K159 HydrophobicContact CB-CD 4.42Å; Q74-K159 VanDerWaalsContact OE1-CB 3.31Å; Q74-K159 PolarHBondContact OE1-O 3.12Å; E155-K159 WeakPolarHBondContact O-CD 3.42Å; E155-K159 WeakPolarHBondContact O-CE 3.49Å; E155-K159 IonicContact OE1-NZ 3.79Å; E155-K159 PolarHBondContact OE1-NZ 3.23Å; V156-K159 WeakPolarHBondContact O-CB 3.45Å; V156-K159 PolarHBondContact O-N 3.26Å; Q157-K159 VanDerWaalsContact C-N 3.33Å; K159-Y161 PolarHBondContact O-N 3.41Å; K159-C162 HydrophobicContact CB-CB 3.96Å; K159-C162 WeakPolarHBondContact O-CB 3.32Å; K159-C162 PolarHBondContact O-N 3.34Å; K159-L163 PolarHBondContact O-N 2.79Å; K159-F190 HydrophobicContact CD-CD2 4.37Å; K159-F190 HydrophobicContact CD-CE1 4.38Å; K159-F190 HydrophobicContact CD-CE2 3.56Å; K159-F190 HydrophobicContact CD-CZ 3.58Å
160	Y	85.7	Confident	81.1	Confident	89 Å²	89	23.5 Å²	23.5	35%	0.349	13%	0.128	S	C	.	.	H	α-helix	trans	-49.2	-50.5	-177.2	175.4	-89.8	0	0	0	114.1	E134 C162 L163 A164	E134-Y160 HydrophobicContact CB-CD2 3.66Å; E134-Y160 HydrophobicContact CB-CE2 3.8Å; E134-Y160 HydrophobicContact CG-CD2 4.09Å; E134-Y160 WeakPolarHBondContact OE2-CD2 3.42Å; Y160-C162 PolarHBondContact O-N 2.95Å; Y160-L163 PolarHBondContact O-N 3.09Å; Y160-A164 HydrophobicContact CE1-CB 4.39Å; Y160-A164 WeakPolarHBondContact O-CB 3.27Å; Y160-A164 PolarHBondContact O-N 2.84Å
161	Y	87.7	Confident	82	Confident	26 Å²	26	23.7 Å²	23.7	10%	0.102	12%	0.122	C	C	.	.	H	α-helix	trans	-70.5	-36.6	-171.8	-65.7	-65.6	0	0	0	112	V48 G50 R51 A54 E57 Q74 K159 A164 T165	V48-Y161 HydrophobicContact CG1-CD1 3.89Å; V48-Y161 HydrophobicContact CG1-CG 4.29Å; G50-Y161 VanDerWaalsContact CA-OH 3.26Å; G50-Y161 WeakPolarHBondContact CA-OH 3.49Å; R51-Y161 PolarHBondContact N-OH 3.32Å; A54-Y161 HydrophobicContact CB-CE2 3.79Å; A54-Y161 VanDerWaalsContact CB-OH 3.3Å; A54-Y161 WeakPolarHBondContact CB-OH 3.38Å; E57-Y161 HydrophobicContact CB-CD2 4.18Å; E57-Y161 HydrophobicContact CB-CE2 4.21Å; E57-Y161 WeakPolarHBondContact OE2-CE2 3.1Å; Q74-Y161 VanDerWaalsContact OE1-N 3.13Å; K159-Y161 PolarHBondContact O-N 3.41Å; Y161-A164 PolarHBondContact O-N 3.37Å; Y161-T165 PolarHBondContact O-N 3.3Å; Y161-T165 PolarHBondContact O-OG1 2.7Å
162	C	89.3	Confident	83	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.6	-50.3	173.2	-166.6	0	0	0	0	112.1	L72 Q74 V156 K159 Y160 T165 A166	L72-C162 WeakPolarHBondContact CB-SG 3.47Å; Q74-C162 HydrophobicContact CB-CB 3.92Å; V156-C162 HydrophobicContact CG1-CB 4.29Å; K159-C162 HydrophobicContact CB-CB 3.96Å; K159-C162 WeakPolarHBondContact O-CB 3.32Å; K159-C162 PolarHBondContact O-N 3.34Å; Y160-C162 PolarHBondContact O-N 2.95Å; C162-T165 PolarHBondContact O-N 3.33Å; C162-T165 PolarHBondContact O-OG1 2.83Å; C162-A166 PolarHBondContact O-N 3.43Å
163	L	88.8	Confident	83.3	Confident	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-41.5	178.6	-71	174.5	0	0	0	111.6	E134 L138 I141 V156 K159 Y160 T165 A166 A167	E134-L163 HydrophobicContact CB-CB 4.31Å; E134-L163 HydrophobicContact CG-CB 3.98Å; E134-L163 HydrophobicContact CG-CD1 3.57Å; E134-L163 HydrophobicContact CG-CG 4.41Å; L138-L163 HydrophobicContact CB-CD1 4.35Å; L138-L163 HydrophobicContact CB-CD2 4.3Å; L138-L163 HydrophobicContact CD1-CD1 4.38Å; L138-L163 HydrophobicContact CD1-CD2 4.27Å; I141-L163 HydrophobicContact CD1-CD2 3.48Å; I141-L163 VanDerWaalsContact CD1-CD2 3.48Å; V156-L163 HydrophobicContact CG1-CD1 4.46Å; V156-L163 HydrophobicContact CG1-CD2 3.41Å; V156-L163 VanDerWaalsContact CG1-CD2 3.41Å; V156-L163 HydrophobicContact CG1-CG 3.66Å; V156-L163 WeakPolarHBondContact O-CD1 3.35Å; K159-L163 PolarHBondContact O-N 2.79Å; Y160-L163 PolarHBondContact O-N 3.09Å; L163-T165 VanDerWaalsContact C-N 3.34Å; L163-T165 PolarHBondContact O-N 2.89Å; L163-A166 PolarHBondContact O-N 3.45Å; L163-A167 PolarHBondContact O-N 2.95Å
164	A	89.9	Confident	83.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-40.3	177.2	0	0	0	0	0	112.1	Y132 Y160 Y161 A168	Y132-A164 WeakPolarHBondContact CA-O 3.43Å; Y132-A164 WeakPolarHBondContact CD1-O 3.45Å; Y160-A164 HydrophobicContact CE1-CB 4.39Å; Y160-A164 WeakPolarHBondContact O-CB 3.27Å; Y160-A164 PolarHBondContact O-N 2.84Å; Y161-A164 PolarHBondContact O-N 3.37Å; A164-A168 PolarHBondContact O-N 2.98Å
165	T	92.2	Very high	83.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.7	-38.7	174.2	39.4	0	0	0	0	113	A46 V48 G59 Y132 Y161 C162 L163 A167 A168 L169	A46-T165 HydrophobicContact CB-CG2 4.38Å; V48-T165 HydrophobicContact CB-CG2 3.68Å; V48-T165 HydrophobicContact CG1-CG2 3.47Å; V48-T165 VanDerWaalsContact CG1-CG2 3.47Å; G59-T165 WeakPolarHBondContact O-CG2 3.23Å; Y132-T165 HydrophobicContact CD1-CG2 4.36Å; Y132-T165 HydrophobicContact CE1-CG2 4.02Å; Y161-T165 PolarHBondContact O-N 3.3Å; Y161-T165 PolarHBondContact O-OG1 2.7Å; C162-T165 PolarHBondContact O-N 3.33Å; C162-T165 PolarHBondContact O-OG1 2.83Å; L163-T165 VanDerWaalsContact C-N 3.34Å; L163-T165 PolarHBondContact O-N 2.89Å; T165-A167 VanDerWaalsContact C-N 3.33Å; T165-A167 PolarHBondContact O-N 2.87Å; T165-A168 PolarHBondContact O-N 2.89Å; T165-L169 WeakPolarHBondContact O-CB 3.33Å; T165-L169 PolarHBondContact O-N 2.89Å
166	A	89.9	Confident	83.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-44.3	175.9	0	0	0	0	0	111.2	A61 L72 I141 C162 L163 A168 L169 L170	A61-A166 HydrophobicContact CB-CB 4.41Å; L72-A166 HydrophobicContact CD2-CB 3.71Å; I141-A166 HydrophobicContact CD1-CB 4.14Å; C162-A166 PolarHBondContact O-N 3.43Å; L163-A166 PolarHBondContact O-N 3.45Å; A166-A168 PolarHBondContact O-N 2.61Å; A166-L169 PolarHBondContact O-N 3.33Å; A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 VanDerWaalsContact O-CG 3.32Å; A166-L170 WeakPolarHBondContact O-CG 3.49Å; A166-L170 PolarHBondContact O-N 3.28Å
167	A	90.4	Very high	83	Confident	2 Å²	2	35.4 Å²	35.4	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-59.1	-46.2	176.8	0	0	0	0	0	112.2	Y131 N133 K136 L163 T165 K171	Y131-A167 WeakPolarHBondContact O-CB 3.41Å; N133-A167 VanDerWaalsContact O-CB 3.3Å; N133-A167 WeakPolarHBondContact O-CB 3.34Å; K136-A167 HydrophobicContact CB-CB 4.48Å; L163-A167 PolarHBondContact O-N 2.95Å; T165-A167 VanDerWaalsContact C-N 3.33Å; T165-A167 PolarHBondContact O-N 2.87Å; A167-K171 WeakPolarHBondContact O-CB 3.27Å; A167-K171 PolarHBondContact O-N 3.14Å
168	A	90.4	Very high	82.4	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-43.3	179.7	0	0	0	0	0	112	Y131 Y132 A164 T165 A166 K171 Y172	Y131-A168 PolarHBondContact O-N 2.96Å; Y132-A168 HydrophobicContact CD1-CB 3.73Å; Y132-A168 HydrophobicContact CD2-CB 3.78Å; Y132-A168 HydrophobicContact CE1-CB 3.55Å; Y132-A168 HydrophobicContact CE2-CB 3.59Å; Y132-A168 HydrophobicContact CG-CB 3.84Å; Y132-A168 VanDerWaalsContact CZ-CB 3.47Å; A164-A168 PolarHBondContact O-N 2.98Å; T165-A168 PolarHBondContact O-N 2.89Å; A166-A168 PolarHBondContact O-N 2.61Å; A168-K171 PolarHBondContact O-N 3.04Å; A168-Y172 WeakPolarHBondContact O-CB 3.49Å; A168-Y172 PolarHBondContact O-N 3.5Å
169	L	87.9	Confident	81.6	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-51.5	178.8	-178.7	63.6	0	0	0	111.6	I44 A46 A61 I63 L70 L97 T165 A166 K171 Y172 L173	I44-L169 HydrophobicContact CB-CD1 4.19Å; I44-L169 HydrophobicContact CG2-CD1 3.6Å; A46-L169 HydrophobicContact CB-CB 3.86Å; A46-L169 HydrophobicContact CB-CD1 4.37Å; A61-L169 HydrophobicContact CB-CB 4.45Å; A61-L169 HydrophobicContact CB-CD2 3.83Å; I63-L169 HydrophobicContact CB-CD2 4.07Å; I63-L169 HydrophobicContact CG2-CD1 4.13Å; I63-L169 HydrophobicContact CG2-CD2 3.97Å; I63-L169 HydrophobicContact CG2-CG 4.21Å; L70-L169 HydrophobicContact CD1-CD2 3.73Å; L97-L169 HydrophobicContact CD1-CD1 3.57Å; T165-L169 WeakPolarHBondContact O-CB 3.33Å; T165-L169 PolarHBondContact O-N 2.89Å; A166-L169 PolarHBondContact O-N 3.33Å; L169-K171 VanDerWaalsContact C-N 3.3Å; L169-K171 PolarHBondContact O-N 3.26Å; L169-Y172 WeakPolarHBondContact O-CB 3.49Å; L169-Y172 PolarHBondContact O-N 3.45Å; L169-L173 HydrophobicContact CG-CD1 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 3.26Å
170	L	82.9	Confident	80.7	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-38.6	-179.8	-67.8	170.6	0	0	0	111.2	L70 Y140 L144 A166 Y172 L173 E174 L186	L70-L170 HydrophobicContact CD2-CD1 4.38Å; Y140-L170 HydrophobicContact CG-CD1 4.33Å; L144-L170 HydrophobicContact CD1-CD1 3.98Å; L144-L170 HydrophobicContact CD1-CD2 4.16Å; A166-L170 WeakPolarHBondContact O-CB 3.28Å; A166-L170 VanDerWaalsContact O-CG 3.32Å; A166-L170 WeakPolarHBondContact O-CG 3.49Å; A166-L170 PolarHBondContact O-N 3.28Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 3.23Å; L170-L173 HydrophobicContact CD2-CD1 4.43Å; L170-L173 PolarHBondContact O-N 3.36Å; L170-E174 WeakPolarHBondContact O-CG 3.18Å; L170-E174 PolarHBondContact O-N 3.22Å; L170-L186 HydrophobicContact CD2-CD2 4.48Å
171	K	84.8	Confident	79.7	Confident	42 Å²	42	37.9 Å²	37.9	18%	0.183	19%	0.188	C	C	.	.	H	α-helix	trans	-65.6	-36	176	-161	56.2	160.8	-176.1	0	113	Y131 Y140 A167 A168 L169 E174 F175	Y131-K171 HydrophobicContact CD1-CG 3.73Å; Y131-K171 HydrophobicContact CE1-CG 4.05Å; Y131-K171 HydrophobicContact CG-CG 4.41Å; Y140-K171 PolarHBondContact OH-NZ 3.31Å; A167-K171 WeakPolarHBondContact O-CB 3.27Å; A167-K171 PolarHBondContact O-N 3.14Å; A168-K171 PolarHBondContact O-N 3.04Å; L169-K171 VanDerWaalsContact C-N 3.3Å; L169-K171 PolarHBondContact O-N 3.26Å; K171-E174 VanDerWaalsContact CD-OE2 3.26Å; K171-E174 WeakPolarHBondContact CD-OE2 3.38Å; K171-E174 IonicContact NZ-OE2 2.69Å; K171-E174 PolarHBondContact NZ-OE2 2.92Å; K171-F175 HydrophobicContact CD-CD2 3.63Å; K171-F175 HydrophobicContact CD-CE2 3.52Å; K171-F175 HydrophobicContact CG-CD2 4.07Å; K171-F175 HydrophobicContact CG-CE2 4.36Å; K171-F175 WeakPolarHBondContact O-CD2 3.25Å; K171-F175 PolarHBondContact O-N 2.84Å; K171-F175 VanDerWaalsContact O-N 3.12Å
172	Y	83.4	Confident	77.7	Confident	15 Å²	15	39.8 Å²	39.8	6%	0.059	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-45.6	175.3	-178.8	-97.1	0	0	0	111.4	E95 L97 T125 I127 A168 L169 L170 E174 F175 I176 Q177	E95-Y172 PolarHBondContact OE1-OH 3.42Å; E95-Y172 WeakPolarHBondContact OE2-CE1 3.33Å; E95-Y172 PolarHBondContact OE2-OH 3Å; L97-Y172 HydrophobicContact CD1-CD1 3.57Å; L97-Y172 HydrophobicContact CD1-CD2 4.19Å; L97-Y172 HydrophobicContact CD1-CE1 4.27Å; L97-Y172 HydrophobicContact CD1-CG 3.54Å; L97-Y172 HydrophobicContact CD2-CD1 3.86Å; L97-Y172 HydrophobicContact CD2-CD2 3.83Å; L97-Y172 HydrophobicContact CD2-CE1 3.73Å; L97-Y172 HydrophobicContact CD2-CE2 3.72Å; L97-Y172 HydrophobicContact CD2-CG 3.91Å; L97-Y172 HydrophobicContact CG-CD1 4.33Å; L97-Y172 HydrophobicContact CG-CG 4.37Å; T125-Y172 HydrophobicContact CG2-CE2 3.75Å; I127-Y172 HydrophobicContact CD1-CD2 3.62Å; I127-Y172 HydrophobicContact CD1-CG 3.99Å; I127-Y172 HydrophobicContact CG1-CD2 4.14Å; A168-Y172 WeakPolarHBondContact O-CB 3.49Å; A168-Y172 PolarHBondContact O-N 3.5Å; L169-Y172 WeakPolarHBondContact O-CB 3.49Å; L169-Y172 PolarHBondContact O-N 3.45Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 3.23Å; Y172-E174 PolarHBondContact O-N 3.01Å; Y172-F175 PolarHBondContact O-N 3.2Å; Y172-I176 HydrophobicContact CD2-CB 4.33Å; Y172-I176 HydrophobicContact CD2-CD1 3.5Å; Y172-I176 VanDerWaalsContact CD2-CD1 3.5Å; Y172-I176 HydrophobicContact CD2-CG1 4.33Å; Y172-I176 HydrophobicContact CE2-CB 4.02Å; Y172-I176 HydrophobicContact CE2-CD1 3.21Å; Y172-I176 HydrophobicContact CE2-CG1 4.13Å; Y172-I176 HydrophobicContact CE2-CG2 4.07Å; Y172-I176 WeakPolarHBondContact O-CB 3.36Å; Y172-I176 PolarHBondContact O-N 3.27Å; Y172-Q177 HydrophobicContact CE1-CG 4.4Å
173	L	76.3	Confident	76.2	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-42.3	177.3	-62.9	168.3	0	0	0	112.2	I44 I63 L65 L169 L170 Q177 S178 S179 Y181	I44-L173 HydrophobicContact CD1-CD2 3.84Å; I63-L173 HydrophobicContact CD1-CD1 3.84Å; I63-L173 HydrophobicContact CG2-CD1 3.76Å; I63-L173 HydrophobicContact CG2-CD2 4.44Å; L65-L173 HydrophobicContact CD2-CD2 4.06Å; L169-L173 HydrophobicContact CG-CD1 4.48Å; L169-L173 WeakPolarHBondContact O-CG 3.48Å; L169-L173 PolarHBondContact O-N 3.26Å; L170-L173 HydrophobicContact CD2-CD1 4.43Å; L170-L173 PolarHBondContact O-N 3.36Å; L173-Q177 HydrophobicContact CD2-CB 4.44Å; L173-Q177 HydrophobicContact CD2-CG 4.18Å; L173-Q177 CarbonylContact O-C 3.55Å; L173-Q177 WeakPolarHBondContact O-CB 3.2Å; L173-Q177 PolarHBondContact O-N 2.88Å; L173-S178 PolarHBondContact O-N 3.06Å; L173-S178 VanDerWaalsContact O-N 3.15Å; L173-S179 CarbonylContact C-O 3.35Å; L173-S179 PolarHBondContact O-N 3.03Å; L173-S179 VanDerWaalsContact O-N 3.11Å; L173-Y181 HydrophobicContact CD1-CE2 3.84Å
174	E	75	Confident	74.9	Confident	39 Å²	39	50.3 Å²	50.3	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-47.2	177.1	-75.6	179.1	-179	0	0	112.3	Y140 L170 K171 Y172 F180	Y140-E174 PolarHBondContact OH-OE2 3.03Å; L170-E174 WeakPolarHBondContact O-CG 3.18Å; L170-E174 PolarHBondContact O-N 3.22Å; K171-E174 VanDerWaalsContact CD-OE2 3.26Å; K171-E174 WeakPolarHBondContact CD-OE2 3.38Å; K171-E174 IonicContact NZ-OE2 2.69Å; K171-E174 PolarHBondContact NZ-OE2 2.92Å; Y172-E174 PolarHBondContact O-N 3.01Å; E174-F180 HydrophobicContact CB-CD1 4.49Å; E174-F180 HydrophobicContact CB-CE1 3.98Å; E174-F180 HydrophobicContact CG-CD1 3.92Å; E174-F180 HydrophobicContact CG-CE1 3.8Å
175	F	77	Confident	73.1	Confident	136 Å²	136	53 Å²	53	60%	0.596	29%	0.288	S	S	*	.	H	α-helix	trans	-91.9	-35.6	-168.3	-81.9	-100.3	0	0	0	114.2	K171 Y172	K171-F175 HydrophobicContact CD-CD2 3.63Å; K171-F175 HydrophobicContact CD-CE2 3.52Å; K171-F175 HydrophobicContact CG-CD2 4.07Å; K171-F175 HydrophobicContact CG-CE2 4.36Å; K171-F175 WeakPolarHBondContact O-CD2 3.25Å; K171-F175 PolarHBondContact O-N 2.84Å; K171-F175 VanDerWaalsContact O-N 3.12Å; Y172-F175 PolarHBondContact O-N 3.2Å
176	I	73.1	Confident	71.7	Confident	102 Å²	102	53.1 Å²	53.1	52%	0.523	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-46	-172.9	-68.5	173.4	0	0	0	110.6	Y172 S178	Y172-I176 HydrophobicContact CD2-CB 4.33Å; Y172-I176 HydrophobicContact CD2-CD1 3.5Å; Y172-I176 VanDerWaalsContact CD2-CD1 3.5Å; Y172-I176 HydrophobicContact CD2-CG1 4.33Å; Y172-I176 HydrophobicContact CE2-CB 4.02Å; Y172-I176 HydrophobicContact CE2-CD1 3.21Å; Y172-I176 HydrophobicContact CE2-CG1 4.13Å; Y172-I176 HydrophobicContact CE2-CG2 4.07Å; Y172-I176 WeakPolarHBondContact O-CB 3.36Å; Y172-I176 PolarHBondContact O-N 3.27Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.8Å
177	Q	63.8	Low	70.6	Confident	73 Å²	73	56.6 Å²	56.6	34%	0.341	30%	0.304	S	S	.	.	S	Bend	trans	-84.4	-2.9	177.2	-63.1	-69.5	-19.5	0	0	112.9	I44 Y172 L173 S179	I44-Q177 HydrophobicContact CD1-CG 4.48Å; Y172-Q177 HydrophobicContact CE1-CG 4.4Å; L173-Q177 HydrophobicContact CD2-CB 4.44Å; L173-Q177 HydrophobicContact CD2-CG 4.18Å; L173-Q177 CarbonylContact O-C 3.55Å; L173-Q177 WeakPolarHBondContact O-CB 3.2Å; L173-Q177 PolarHBondContact O-N 2.88Å; Q177-S179 PolarHBondContact O-N 3.31Å; Q177-S179 PolarHBondContact O-OG 3.46Å
178	S	64.1	Low	69.9	Low	92 Å²	92	56.5 Å²	56.5	64%	0.643	30%	0.303	S	S	*	.			trans	48.1	31.6	-178.1	-59.2	0	0	0	0	113.4	L173 I176	L173-S178 PolarHBondContact O-N 3.06Å; L173-S178 VanDerWaalsContact O-N 3.15Å; I176-S178 VanDerWaalsContact C-N 3.29Å; I176-S178 PolarHBondContact O-N 2.8Å
179	S	60	Low	69	Low	53 Å²	53	57.8 Å²	57.8	37%	0.371	31%	0.309	S	S	.	.			trans	-113.2	127	-173.2	-67.6	0	0	0	0	109.2	L173 Q177	L173-S179 CarbonylContact C-O 3.35Å; L173-S179 PolarHBondContact O-N 3.03Å; L173-S179 VanDerWaalsContact O-N 3.11Å; Q177-S179 PolarHBondContact O-N 3.31Å; Q177-S179 PolarHBondContact O-OG 3.46Å
180	F	62.5	Low	68.5	Low	156 Å²	156	58.3 Å²	58.3	68%	0.684	31%	0.312	S	S	*	.			trans	-115.9	134.7	179.2	-62.2	-85.9	0	0	0	109.6	E174	E174-F180 HydrophobicContact CB-CD1 4.49Å; E174-F180 HydrophobicContact CB-CE1 3.98Å; E174-F180 HydrophobicContact CG-CD1 3.92Å; E174-F180 HydrophobicContact CG-CE1 3.8Å
181	Y	63.5	Low	68	Low	53 Å²	53	62.4 Å²	62.4	21%	0.208	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-90.5	138.7	170.1	-66	-85.8	0	0	0	109.1	I63 P68 L144 L173 L186	I63-Y181 HydrophobicContact CD1-CE1 4.34Å; I63-Y181 HydrophobicContact CD1-CE2 3.67Å; I63-Y181 WeakPolarHBondContact CD1-OH 3.23Å; P68-Y181 HydrophobicContact CB-CD1 4.28Å; P68-Y181 HydrophobicContact CB-CE1 3.92Å; L144-Y181 WeakPolarHBondContact CD2-O 3.4Å; L173-Y181 HydrophobicContact CD1-CE2 3.84Å; Y181-L186 HydrophobicContact CD1-CD1 3.57Å; Y181-L186 HydrophobicContact CD2-CD1 4.38Å; Y181-L186 HydrophobicContact CE1-CD1 3.85Å; Y181-L186 HydrophobicContact CG-CD1 3.85Å
182	A	47.4	Very low	67.2	Low	66 Å²	66	60.8 Å²	60.8	55%	0.545	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-66.1	148.9	176.8	0	0	0	0	0	110.3	K184 S185	A182-K184 PolarHBondContact O-N 2.97Å; A182-S185 PolarHBondContact N-OG 3.35Å; A182-S185 WeakPolarHBondContact O-CB 3.49Å; A182-S185 PolarHBondContact O-N 3.25Å; A182-S185 PolarHBondContact O-OG 2.95Å
183	A	55.9	Low	66.4	Low	78 Å²	78	60.6 Å²	60.6	65%	0.645	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	140.2	174.9	0	0	0	0	0	110.4	Q143 S185	Q143-A183 WeakPolarHBondContact O-CA 3.35Å; A183-S185 VanDerWaalsContact C-N 3.25Å; A183-S185 PolarHBondContact O-N 3.42Å
184	K	62.1	Low	65.8	Low	144 Å²	144	63 Å²	63	63%	0.626	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	29.4	179.4	-55	-179.6	-179	-178.8	0	115.6	Q143 L144 C145 A146 A182	Q143-K184 PolarHBondContact O-N 2.89Å; L144-K184 CarbonylContact O-C 3.52Å; L144-K184 WeakPolarHBondContact O-CA 3.4Å; L144-K184 PolarHBondContact O-N 2.89Å; C145-K184 WeakPolarHBondContact O-CA 3.37Å; A146-K184 WeakPolarHBondContact CA-O 3.37Å; A146-K184 WeakPolarHBondContact CB-O 3.46Å; A182-K184 PolarHBondContact O-N 2.97Å
185	S	52.4	Low	65.8	Low	57 Å²	57	67.3 Å²	67.3	40%	0.399	36%	0.356	S	S	.	.			trans	-113.9	-15.1	-177.4	69.8	0	0	0	0	114.5	L144 A182 A183	L144-S185 PolarHBondContact O-N 3.04Å; A182-S185 PolarHBondContact N-OG 3.35Å; A182-S185 WeakPolarHBondContact O-CB 3.49Å; A182-S185 PolarHBondContact O-N 3.25Å; A182-S185 PolarHBondContact O-OG 2.95Å; A183-S185 VanDerWaalsContact C-N 3.25Å; A183-S185 PolarHBondContact O-N 3.42Å
186	L	62	Low	66	Low	1 Å²	1	61.4 Å²	61.4	1%	0.005	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-86.8	131.6	-173.7	-159.5	77.5	0	0	0	110.3	I63 P68 L70 L144 C145 A146 L170 Y181 V188	I63-L186 HydrophobicContact CD1-CD1 4.09Å; P68-L186 HydrophobicContact CB-CD1 4.2Å; L70-L186 HydrophobicContact CB-CD2 3.52Å; L70-L186 HydrophobicContact CB-CG 4.08Å; L70-L186 HydrophobicContact CD2-CD2 3.7Å; L70-L186 HydrophobicContact CG-CD2 4.22Å; L144-L186 HydrophobicContact CB-CB 4.33Å; L144-L186 WeakPolarHBondContact O-CB 3.3Å; L144-L186 PolarHBondContact O-N 3Å; C145-L186 WeakPolarHBondContact CA-O 3.3Å; A146-L186 PolarHBondContact N-O 3.44Å; L170-L186 HydrophobicContact CD2-CD2 4.48Å; Y181-L186 HydrophobicContact CD1-CD1 3.57Å; Y181-L186 HydrophobicContact CD2-CD1 4.38Å; Y181-L186 HydrophobicContact CE1-CD1 3.85Å; Y181-L186 HydrophobicContact CG-CD1 3.85Å; L186-V188 HydrophobicContact CB-CG2 4.46Å; L186-V188 HydrophobicContact CD2-CG2 4.06Å; L186-V188 HydrophobicContact CG-CG2 4.4Å; L186-V188 PolarHBondContact O-N 2.83Å
187	K	66.9	Low	66.5	Low	73 Å²	73	56.6 Å²	56.6	32%	0.317	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	110.8	169.1	-178.4	-178.2	-179.4	-147.9	0	108.1	P68 E69 L70 F149 I189	P68-K187 PolarHBondContact O-N 3.32Å; E69-K187 CarbonylContact C-O 3.55Å; E69-K187 WeakPolarHBondContact CA-O 3.45Å; E69-K187 HydrophobicContact CG-CD 4.21Å; E69-K187 HydrophobicContact CG-CG 4.37Å; E69-K187 IonicContact OE2-NZ 2.84Å; E69-K187 PolarHBondContact OE2-NZ 2.92Å; L70-K187 PolarHBondContact N-O 2.92Å; F149-K187 HydrophobicContact CD1-CG 4.15Å; F149-K187 HydrophobicContact CD2-CB 4.37Å; F149-K187 HydrophobicContact CD2-CG 4.04Å; F149-K187 HydrophobicContact CE1-CD 4.34Å; F149-K187 HydrophobicContact CE1-CG 3.95Å; F149-K187 HydrophobicContact CE2-CB 4.28Å; F149-K187 HydrophobicContact CE2-CD 4.43Å; F149-K187 HydrophobicContact CE2-CG 3.84Å; F149-K187 HydrophobicContact CG-CG 4.2Å; F149-K187 HydrophobicContact CZ-CD 4.05Å; F149-K187 HydrophobicContact CZ-CG 3.8Å; K187-I189 HydrophobicContact CD-CD1 4.18Å; K187-I189 VanDerWaalsContact CE-CD1 3.41Å; K187-I189 HydrophobicContact CG-CD1 4.26Å; K187-I189 HydrophobicContact CG-CG1 4.13Å
188	V	75.8	Confident	67.3	Low	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.9	178.3	-173.2	0	0	0	0	108.4	L70 L72 I141 C145 V152 L186	L70-V188 HydrophobicContact CB-CG2 4.37Å; L70-V188 HydrophobicContact CD2-CG1 4.31Å; L70-V188 HydrophobicContact CD2-CG2 4.21Å; L70-V188 WeakPolarHBondContact O-CA 3.37Å; L72-V188 HydrophobicContact CD1-CG1 3.58Å; L72-V188 HydrophobicContact CG-CG1 4.05Å; I141-V188 HydrophobicContact CG2-CG1 4.23Å; I141-V188 HydrophobicContact CG2-CG2 4.4Å; C145-V188 HydrophobicContact CB-CB 4.43Å; C145-V188 HydrophobicContact CB-CG2 3.77Å; V152-V188 HydrophobicContact CG1-CG1 4.2Å; V152-V188 WeakPolarHBondContact CG2-O 3.39Å; L186-V188 HydrophobicContact CB-CG2 4.46Å; L186-V188 HydrophobicContact CD2-CG2 4.06Å; L186-V188 HydrophobicContact CG-CG2 4.4Å; L186-V188 PolarHBondContact O-N 2.83Å
189	I	71.6	Confident	68	Low	27 Å²	27	51.4 Å²	51.4	14%	0.138	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135	179.1	-52.6	177.6	0	0	0	108.3	E69 L70 I71 L72 K187 K191	E69-I189 VanDerWaalsContact CD-CD1 3.48Å; E69-I189 HydrophobicContact CG-CD1 4.02Å; E69-I189 HydrophobicContact CG-CG1 4.44Å; E69-I189 WeakPolarHBondContact OE1-CD1 3.42Å; L70-I189 PolarHBondContact O-N 3.19Å; I71-I189 CarbonylContact C-O 3.53Å; I71-I189 WeakPolarHBondContact CA-O 3.49Å; L72-I189 PolarHBondContact N-O 3.15Å; K187-I189 HydrophobicContact CD-CD1 4.18Å; K187-I189 VanDerWaalsContact CE-CD1 3.41Å; K187-I189 HydrophobicContact CG-CD1 4.26Å; K187-I189 HydrophobicContact CG-CG1 4.13Å; I189-K191 HydrophobicContact CG2-CG 4.16Å
190	F	78.6	Confident	68.5	Low	12 Å²	12	49.7 Å²	49.7	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	133.8	166.4	-175.7	-88.2	0	0	0	110.2	L72 Q74 V152 E155 V156 K159 M198	L72-F190 HydrophobicContact CB-CD2 4.04Å; L72-F190 CarbonylContact O-C 3.21Å; L72-F190 VanDerWaalsContact O-CA 3.3Å; L72-F190 WeakPolarHBondContact O-CA 3.39Å; L72-F190 WeakPolarHBondContact O-CD2 3.33Å; Q74-F190 HydrophobicContact CB-CE2 4.32Å; Q74-F190 HydrophobicContact CB-CZ 4.46Å; V152-F190 HydrophobicContact CG1-CB 3.89Å; E155-F190 HydrophobicContact CG-CD1 4.39Å; E155-F190 WeakPolarHBondContact OE1-CD1 3.44Å; E155-F190 WeakPolarHBondContact OE1-CE1 3.27Å; E155-F190 WeakPolarHBondContact OE2-CB 3.27Å; E155-F190 WeakPolarHBondContact OE2-CD1 3.5Å; E155-F190 WeakPolarHBondContact OE2-CG 3.44Å; V156-F190 HydrophobicContact CG2-CB 4Å; V156-F190 HydrophobicContact CG2-CD2 3.74Å; V156-F190 HydrophobicContact CG2-CG 4.14Å; K159-F190 HydrophobicContact CD-CD2 4.37Å; K159-F190 HydrophobicContact CD-CE1 4.38Å; K159-F190 HydrophobicContact CD-CE2 3.56Å; K159-F190 HydrophobicContact CD-CZ 3.58Å; F190-M198 HydrophobicContact CD1-CE 3.81Å; F190-M198 HydrophobicContact CE1-CE 3.82Å
191	K	72.1	Confident	68.7	Low	91 Å²	91	45.2 Å²	45.2	40%	0.396	25%	0.248	S	C	.	.			trans	-131.3	129	173.7	-70	-176.3	-178.3	170.8	0	108.6	I71 L72 S73 R87 I189	I71-K191 HydrophobicContact CG2-CB 4.17Å; I71-K191 HydrophobicContact CG2-CD 3.9Å; I71-K191 HydrophobicContact CG2-CG 4.11Å; L72-K191 PolarHBondContact O-N 3.38Å; S73-K191 VanDerWaalsContact CA-O 3.29Å; S73-K191 WeakPolarHBondContact CA-O 3.35Å; S73-K191 WeakPolarHBondContact CB-O 3.45Å; S73-K191 PolarHBondContact OG-O 2.86Å; R87-K191 PolarHBondContact NH2-O 3.46Å; I189-K191 HydrophobicContact CG2-CG 4.16Å
192	G	67.5	Low	69	Low	7 Å²	7	44.5 Å²	44.5	7%	0.072	25%	0.253	C	S	.	.			trans	-75.3	-153.3	173.9	0	0	0	0	0	113.1	R87 M198	R87-G192 PolarHBondContact NH2-O 3.19Å; G192-M198 WeakPolarHBondContact CA-SD 3.38Å; G192-M198 PolarHBondContact N-SD 2.69Å
193	S	66	Low	70.4	Confident	11 Å²	11	41.4 Å²	41.4	8%	0.077	23%	0.227	C	C	.	.			trans	-69.5	154.1	176.3	-151.1	0	0	0	0	111.8	K83 T196	K83-S193 VanDerWaalsContact CD-OG 3.31Å; K83-S193 WeakPolarHBondContact CD-OG 3.36Å; K83-S193 WeakPolarHBondContact CE-OG 3.42Å; S193-T196 WeakPolarHBondContact CB-OG1 3.47Å; S193-T196 PolarHBondContact O-OG1 2.96Å
194	E	65.4	Low	71.4	Confident	51 Å²	51	38.5 Å²	38.5	24%	0.238	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	144	177.8	-68	166.3	178	0	0	110.1	R87 I90 T196	R87-E194 WeakPolarHBondContact CG-OE1 3.44Å; R87-E194 IonicContact CZ-OE1 2.75Å; R87-E194 IonicContact NH1-OE1 2.64Å; R87-E194 PolarHBondContact NH1-OE1 2.84Å; I90-E194 WeakPolarHBondContact CD1-OE1 3.45Å; I90-E194 WeakPolarHBondContact CD1-OE2 3.4Å; E194-T196 PolarHBondContact O-N 2.78Å
195	Q	73.9	Confident	72	Confident	130 Å²	130	33.4 Å²	33.4	61%	0.607	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	21.7	-176.4	-56.7	-63.7	-23.5	0	0	114.7	L247	Q195-L247 PolarHBondContact O-N 3.42Å
196	T	82	Confident	73.4	Confident	12 Å²	12	31 Å²	31	7%	0.074	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-122.4	146.9	173.2	59.7	0	0	0	0	112.2	S193 E194 E244 P245	S193-T196 WeakPolarHBondContact CB-OG1 3.47Å; S193-T196 PolarHBondContact O-OG1 2.96Å; E194-T196 PolarHBondContact O-N 2.78Å; T196-E244 HydrophobicContact CG2-CB 4.06Å; T196-P245 CarbonylContact C-O 3.59Å; T196-P245 WeakPolarHBondContact CA-O 3.39Å; T196-P245 VanDerWaalsContact CB-O 3.28Å; T196-P245 WeakPolarHBondContact CB-O 3.36Å
197	T	84.1	Confident	74.6	Confident	1 Å²	1	31 Å²	31	1%	0.006	17%	0.171	C	C	.	.			trans	-64.5	134	172.7	-60	0	0	0	0	110.5	I199 P245 L247 Q591 A606 D607 I609	T197-I199 HydrophobicContact CG2-CG1 4.28Å; T197-P245 PolarHBondContact N-O 3.25Å; T197-L247 VanDerWaalsContact OG1-CD2 3.23Å; T197-L247 WeakPolarHBondContact OG1-CD2 3.37Å; T197-Q591 PolarHBondContact OG1-NE2 3.27Å; T197-A606 WeakPolarHBondContact CG2-O 3.26Å; T197-A606 PolarHBondContact OG1-O 2.59Å; T197-D607 CarbonylContact C-O 3.49Å; T197-D607 VanDerWaalsContact CA-O 3.3Å; T197-D607 WeakPolarHBondContact CA-O 3.47Å; T197-I609 HydrophobicContact CG2-CD1 3.95Å; T197-I609 HydrophobicContact CG2-CG1 3.81Å
198	M	78.8	Confident	75.5	Confident	38 Å²	38	29 Å²	29	19%	0.187	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	122.3	172.3	-67.5	-67.7	-64.7	0	0	109.9	F190 G192 D607 Q608 I609	F190-M198 HydrophobicContact CD1-CE 3.81Å; F190-M198 HydrophobicContact CE1-CE 3.82Å; G192-M198 WeakPolarHBondContact CA-SD 3.38Å; G192-M198 PolarHBondContact N-SD 2.69Å; M198-D607 PolarHBondContact N-O 3.24Å; M198-Q608 HydrophobicContact CB-CB 4.37Å; M198-Q608 HydrophobicContact CB-CG 4.08Å; M198-Q608 WeakPolarHBondContact O-CA 3.38Å; M198-I609 PolarHBondContact O-N 2.9Å
199	I	80.8	Confident	75.9	Confident	18 Å²	18	29 Å²	29	9%	0.092	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	116.7	168.6	-52.5	178.9	0	0	0	106.1	T197 A204 L209 P245 I588 I609	T197-I199 HydrophobicContact CG2-CG1 4.28Å; I199-A204 HydrophobicContact CG2-CB 4.15Å; I199-L209 HydrophobicContact CD1-CD1 4.04Å; I199-L209 HydrophobicContact CG2-CD1 4.18Å; I199-P245 HydrophobicContact CD1-CG 3.92Å; I199-I588 HydrophobicContact CD1-CD1 3.79Å; I199-I588 HydrophobicContact CD1-CG1 4.01Å; I199-I609 HydrophobicContact CG1-CB 4.4Å
200	D	70.4	Confident	76	Confident	18 Å²	18	28.8 Å²	28.8	10%	0.096	16%	0.163	C	C	.	.			trans	-70.7	162.4	178.1	70.8	-86.5	0	0	0	111.2	A202 S203 A204 Y635	D200-A202 VanDerWaalsContact C-N 3.3Å; D200-A202 PolarHBondContact O-N 3.17Å; D200-A202 WeakPolarHBondContact OD2-CA 3.36Å; D200-A202 WeakPolarHBondContact OD2-CB 3.36Å; D200-A202 PolarHBondContact OD2-N 2.88Å; D200-S203 VanDerWaalsContact CG-OG 3.29Å; D200-S203 PolarHBondContact O-N 2.95Å; D200-S203 WeakPolarHBondContact OD1-CB 3.49Å; D200-S203 PolarHBondContact OD1-OG 3.36Å; D200-S203 PolarHBondContact OD2-N 2.69Å; D200-S203 PolarHBondContact OD2-OG 3.45Å; D200-A204 PolarHBondContact O-N 2.61Å; D200-Y635 HydrophobicContact CB-CE1 3.87Å
201	S	66.3	Low	75.5	Confident	62 Å²	62	31.4 Å²	31.4	43%	0.434	18%	0.18	S	C	.	.	H	α-helix	trans	-64.1	-35.3	-174.7	-170.5	0	0	0	0	113	A205	S201-A205 PolarHBondContact O-N 3.15Å; S201-A205 VanDerWaalsContact O-N 3.15Å
202	A	68.5	Low	75.7	Confident	37 Å²	37	27.7 Å²	27.7	31%	0.306	16%	0.164	S	C	.	.	H	α-helix	trans	-68.6	-42	177.8	0	0	0	0	0	109.3	D200 A204 A205 N206	D200-A202 VanDerWaalsContact C-N 3.3Å; D200-A202 PolarHBondContact O-N 3.17Å; D200-A202 WeakPolarHBondContact OD2-CA 3.36Å; D200-A202 WeakPolarHBondContact OD2-CB 3.36Å; D200-A202 PolarHBondContact OD2-N 2.88Å; A202-A204 PolarHBondContact O-N 3.42Å; A202-A205 PolarHBondContact O-N 3.09Å; A202-N206 WeakPolarHBondContact O-CB 3.35Å; A202-N206 PolarHBondContact O-N 3.47Å; A202-N206 PolarHBondContact O-ND2 2.72Å
203	S	78.5	Confident	75.7	Confident	1 Å²	1	31 Å²	31	1%	0.007	18%	0.18	C	C	.	.	H	α-helix	trans	-63.3	-42.2	175.5	-65.2	0	0	0	0	113.9	D200 A205 N206 L207 T611	D200-S203 VanDerWaalsContact CG-OG 3.29Å; D200-S203 PolarHBondContact O-N 2.95Å; D200-S203 WeakPolarHBondContact OD1-CB 3.49Å; D200-S203 PolarHBondContact OD1-OG 3.36Å; D200-S203 PolarHBondContact OD2-N 2.69Å; D200-S203 PolarHBondContact OD2-OG 3.45Å; S203-A205 VanDerWaalsContact C-N 3.28Å; S203-A205 PolarHBondContact O-N 2.81Å; S203-N206 PolarHBondContact O-N 2.81Å; S203-L207 WeakPolarHBondContact O-CB 3.47Å; S203-L207 WeakPolarHBondContact O-CG 3.47Å; S203-L207 PolarHBondContact O-N 2.78Å; S203-T611 WeakPolarHBondContact CA-OG1 3.46Å; S203-T611 VanDerWaalsContact CB-OG1 3.24Å; S203-T611 WeakPolarHBondContact CB-OG1 3.38Å; S203-T611 PolarHBondContact OG-N 3.33Å; S203-T611 PolarHBondContact OG-O 2.93Å; S203-T611 PolarHBondContact OG-OG1 2.82Å
204	A	75.9	Confident	75.8	Confident	17 Å²	17	41.8 Å²	41.8	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-36.1	176.7	0	0	0	0	0	112.6	I199 D200 A202 E208 L209 L243	I199-A204 HydrophobicContact CG2-CB 4.15Å; D200-A204 PolarHBondContact O-N 2.61Å; A202-A204 PolarHBondContact O-N 3.42Å; A204-E208 PolarHBondContact O-N 2.73Å; A204-L209 HydrophobicContact CB-CD1 3.98Å; A204-L209 PolarHBondContact O-N 3.48Å; A204-L209 VanDerWaalsContact O-N 3.09Å; A204-L243 HydrophobicContact CB-CD2 4.17Å
205	A	74.6	Confident	75.8	Confident	37 Å²	37	43.3 Å²	43.3	31%	0.306	23%	0.229	S	C	.	.	H	α-helix	trans	-73.3	-45.2	174.4	0	0	0	0	0	111.9	S201 A202 S203 L207 E208 N213	S201-A205 PolarHBondContact O-N 3.15Å; S201-A205 VanDerWaalsContact O-N 3.15Å; A202-A205 PolarHBondContact O-N 3.09Å; S203-A205 VanDerWaalsContact C-N 3.28Å; S203-A205 PolarHBondContact O-N 2.81Å; A205-L207 VanDerWaalsContact C-N 3.26Å; A205-L207 PolarHBondContact O-N 3.14Å; A205-E208 PolarHBondContact O-N 2.84Å; A205-N213 PolarHBondContact O-ND2 3.29Å; A205-N213 PolarHBondContact O-OD1 3.21Å
206	N	81.4	Confident	75.2	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.032	23%	0.233	C	C	.	.	H	α-helix	trans	-59.6	-37.6	179.1	-73.7	-14.1	0	0	0	112.5	A202 S203 E208 K581 T611 I613 V615	A202-N206 WeakPolarHBondContact O-CB 3.35Å; A202-N206 PolarHBondContact O-N 3.47Å; A202-N206 PolarHBondContact O-ND2 2.72Å; S203-N206 PolarHBondContact O-N 2.81Å; N206-E208 VanDerWaalsContact C-N 3.31Å; N206-K581 WeakPolarHBondContact O-CE 3.26Å; N206-K581 PolarHBondContact O-NZ 3.47Å; N206-T611 PolarHBondContact ND2-O 2.62Å; N206-T611 VanDerWaalsContact ND2-O 3.11Å; N206-I613 HydrophobicContact CB-CB 4.31Å; N206-I613 PolarHBondContact ND2-N 2.83Å; N206-I613 PolarHBondContact OD1-O 2.98Å; N206-V615 VanDerWaalsContact OD1-CG2 3.28Å; N206-V615 WeakPolarHBondContact OD1-CG2 3.46Å
207	L	86.9	Confident	74	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-3.9	176.1	-65.9	179.1	0	0	0	114	S203 A205 L209 K581 A584 L585 I588 T611	S203-L207 WeakPolarHBondContact O-CB 3.47Å; S203-L207 WeakPolarHBondContact O-CG 3.47Å; S203-L207 PolarHBondContact O-N 2.78Å; A205-L207 VanDerWaalsContact C-N 3.26Å; A205-L207 PolarHBondContact O-N 3.14Å; L207-L209 HydrophobicContact CB-CD2 3.67Å; L207-L209 HydrophobicContact CB-CG 3.9Å; L207-L209 HydrophobicContact CD1-CD2 4.27Å; L207-L209 PolarHBondContact O-N 3.41Å; L207-K581 HydrophobicContact CD2-CB 4.3Å; L207-K581 HydrophobicContact CD2-CG 4.11Å; L207-A584 HydrophobicContact CD1-CB 3.83Å; L207-A584 HydrophobicContact CD2-CB 3.52Å; L207-A584 HydrophobicContact CG-CB 4.33Å; L207-L585 HydrophobicContact CB-CD2 4.28Å; L207-I588 HydrophobicContact CD1-CD1 3.7Å; L207-T611 HydrophobicContact CD1-CG2 3.85Å; L207-T611 HydrophobicContact CD2-CG2 4.02Å; L207-T611 HydrophobicContact CG-CG2 3.93Å
208	E	87.4	Confident	73.3	Confident	31 Å²	31	54.7 Å²	54.7	15%	0.145	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	43.7	-177.2	-56.7	-173.8	143.3	0	0	112.1	A204 A205 N206 V210 V211 N212 N213 T221 L222 I543	A204-E208 PolarHBondContact O-N 2.73Å; A205-E208 PolarHBondContact O-N 2.84Å; N206-E208 VanDerWaalsContact C-N 3.31Å; E208-V210 VanDerWaalsContact C-N 3.26Å; E208-V210 PolarHBondContact O-N 2.9Å; E208-V211 WeakPolarHBondContact CA-O 3.49Å; E208-N212 VanDerWaalsContact CD-ND2 3.33Å; E208-N212 PolarHBondContact OE1-ND2 2.82Å; E208-N212 PolarHBondContact OE2-ND2 2.83Å; E208-N213 PolarHBondContact OE1-N 2.56Å; E208-T221 VanDerWaalsContact O-CA 3.24Å; E208-T221 WeakPolarHBondContact O-CA 3.42Å; E208-T221 WeakPolarHBondContact O-CB 3.3Å; E208-L222 PolarHBondContact O-N 2.82Å; E208-I543 HydrophobicContact CB-CD1 4.32Å
209	L	82.9	Confident	73	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-62.5	-37.5	-173.9	-64.1	-173.4	0	0	0	112	I199 A204 L207 L222 L223 I242 L243 L585 I588	I199-L209 HydrophobicContact CD1-CD1 4.04Å; I199-L209 HydrophobicContact CG2-CD1 4.18Å; A204-L209 HydrophobicContact CB-CD1 3.98Å; A204-L209 PolarHBondContact O-N 3.48Å; A204-L209 VanDerWaalsContact O-N 3.09Å; L207-L209 HydrophobicContact CB-CD2 3.67Å; L207-L209 HydrophobicContact CB-CG 3.9Å; L207-L209 HydrophobicContact CD1-CD2 4.27Å; L207-L209 PolarHBondContact O-N 3.41Å; L209-L222 HydrophobicContact CD2-CB 4.34Å; L209-L222 HydrophobicContact CD2-CD2 3.86Å; L209-L223 WeakPolarHBondContact O-CB 3.26Å; L209-L223 PolarHBondContact O-N 3.37Å; L209-I242 HydrophobicContact CB-CG2 3.87Å; L209-I242 HydrophobicContact CD1-CG2 4.35Å; L209-I242 HydrophobicContact CD2-CG2 4.45Å; L209-I242 HydrophobicContact CG-CG2 4.45Å; L209-L243 HydrophobicContact CD1-CD2 4.4Å; L209-L585 HydrophobicContact CD2-CD2 3.67Å; L209-I588 HydrophobicContact CD1-CD1 4.09Å; L209-I588 HydrophobicContact CD2-CD1 3.67Å
210	V	73.3	Confident	73.3	Confident	23 Å²	23	62.8 Å²	62.8	14%	0.139	32%	0.315	C	S	.	.	S	Bend	trans	-140	-33.5	-168.8	174.7	0	0	0	0	112.8	E208 L223 R239 I242 L243	E208-V210 VanDerWaalsContact C-N 3.26Å; E208-V210 PolarHBondContact O-N 2.9Å; V210-L223 HydrophobicContact CG1-CD2 4.09Å; V210-L223 HydrophobicContact CG2-CB 4.47Å; V210-R239 HydrophobicContact CG1-CG 4.39Å; V210-R239 HydrophobicContact CG2-CG 4.29Å; V210-I242 HydrophobicContact CG2-CG2 4.43Å; V210-L243 HydrophobicContact CG2-CD1 4.28Å; V210-L243 HydrophobicContact CG2-CD2 3.81Å; V210-L243 HydrophobicContact CG2-CG 3.98Å
211	V	69.4	Low	74.1	Confident	68 Å²	68	62.2 Å²	62.2	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	-121.7	136.4	176.2	-177.2	0	0	0	0	107	E208 N216	E208-V211 WeakPolarHBondContact CA-O 3.49Å; V211-N216 HydrophobicContact CG1-CB 4.41Å; V211-N216 VanDerWaalsContact CG1-OD1 3.24Å; V211-N216 WeakPolarHBondContact CG1-OD1 3.27Å
212	N	75.8	Confident	75.3	Confident	12 Å²	12	59.3 Å²	59.3	6%	0.064	29%	0.292	C	S	.	.			trans	-87.2	139	174.7	-176.4	-77.7	0	0	0	109.3	E208 R214 D215 N216 Y220 T221	E208-N212 VanDerWaalsContact CD-ND2 3.33Å; E208-N212 PolarHBondContact OE1-ND2 2.82Å; E208-N212 PolarHBondContact OE2-ND2 2.83Å; N212-R214 VanDerWaalsContact C-N 3.32Å; N212-R214 PolarHBondContact O-N 2.81Å; N212-R214 PolarHBondContact OD1-N 3.35Å; N212-D215 WeakPolarHBondContact CB-O 3.31Å; N212-D215 PolarHBondContact OD1-N 3.02Å; N212-N216 PolarHBondContact O-OD1 2.77Å; N212-Y220 PolarHBondContact ND2-O 2.87Å; N212-T221 HydrophobicContact CB-CG2 3.91Å
213	N	67.3	Low	76.2	Confident	76 Å²	76	58.6 Å²	58.6	41%	0.406	28%	0.283	S	S	.	.	S	Bend	trans	-74.8	-21	-172.8	-68.2	-22.2	0	0	0	113.5	A205 E208	A205-N213 PolarHBondContact O-ND2 3.29Å; A205-N213 PolarHBondContact O-OD1 3.21Å; E208-N213 PolarHBondContact OE1-N 2.56Å
214	R	67.4	Low	76.7	Confident	238 Å²	238	59.1 Å²	59.1	90%	0.898	29%	0.288	S	S	*	.	S	Bend	trans	-93.6	-39	-179.4	-66.2	-178	174.9	176.9	-0.9	113	N212	N212-R214 VanDerWaalsContact C-N 3.32Å; N212-R214 PolarHBondContact O-N 2.81Å; N212-R214 PolarHBondContact OD1-N 3.35Å
215	D	66.9	Low	77.4	Confident	84 Å²	84	58.6 Å²	58.6	45%	0.449	28%	0.283	S	S	.	.			trans	-139.4	108.8	178.2	-178.2	6	0	0	0	110.7	N212 R217 S218	N212-D215 WeakPolarHBondContact CB-O 3.31Å; N212-D215 PolarHBondContact OD1-N 3.02Å; D215-R217 PolarHBondContact O-N 2.98Å; D215-R217 WeakPolarHBondContact OD1-CB 3.36Å; D215-R217 PolarHBondContact OD1-N 3.38Å; D215-S218 WeakPolarHBondContact O-CB 3.29Å; D215-S218 PolarHBondContact O-N 3.19Å
216	N	60.3	Low	78.3	Confident	130 Å²	130	56.9 Å²	56.9	70%	0.695	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.7	178.3	-69.6	-17.7	0	0	0	113.9	V211 N212	V211-N216 HydrophobicContact CG1-CB 4.41Å; V211-N216 VanDerWaalsContact CG1-OD1 3.24Å; V211-N216 WeakPolarHBondContact CG1-OD1 3.27Å; N212-N216 PolarHBondContact O-OD1 2.77Å
217	R	56.4	Low	78.7	Confident	229 Å²	229	59.2 Å²	59.2	86%	0.864	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-4.8	176.9	-63	-175.3	177.3	-179.2	1.5	114	D215	D215-R217 PolarHBondContact O-N 2.98Å; D215-R217 WeakPolarHBondContact OD1-CB 3.36Å; D215-R217 PolarHBondContact OD1-N 3.38Å
218	S	69.6	Low	79	Confident	23 Å²	23	61.2 Å²	61.2	16%	0.161	29%	0.291	C	S	.	.			trans	-71.8	136.5	179.2	150.3	0	0	0	0	111.1	D215 Y220	D215-S218 WeakPolarHBondContact O-CB 3.29Å; D215-S218 PolarHBondContact O-N 3.19Å; S218-Y220 PolarHBondContact O-N 2.96Å; S218-Y220 VanDerWaalsContact OG-CB 3.31Å; S218-Y220 WeakPolarHBondContact OG-CB 3.43Å; S218-Y220 VanDerWaalsContact OG-CD2 3.24Å; S218-Y220 WeakPolarHBondContact OG-CD2 3.2Å; S218-Y220 PolarHBondContact OG-N 3.48Å
219	D	73.9	Confident	79.1	Confident	120 Å²	120	60.9 Å²	60.9	64%	0.642	29%	0.291	S	S	*	.			trans	-80.6	3.4	171.8	-67.6	-31	0	0	0	112.5	T221 G224	D219-T221 VanDerWaalsContact C-N 3.25Å; D219-T221 PolarHBondContact O-N 2.79Å; D219-G224 WeakPolarHBondContact O-CA 3.28Å
220	Y	86.1	Confident	79.4	Confident	105 Å²	105	66 Å²	66	41%	0.412	31%	0.313	S	S	.	.			trans	-81.3	72.7	176.3	-54.7	-58.6	0	0	0	111	N212 S218 M547	N212-Y220 PolarHBondContact ND2-O 2.87Å; S218-Y220 PolarHBondContact O-N 2.96Å; S218-Y220 VanDerWaalsContact OG-CB 3.31Å; S218-Y220 WeakPolarHBondContact OG-CB 3.43Å; S218-Y220 VanDerWaalsContact OG-CD2 3.24Å; S218-Y220 WeakPolarHBondContact OG-CD2 3.2Å; S218-Y220 PolarHBondContact OG-N 3.48Å; Y220-M547 HydrophobicContact CD1-CB 4.48Å; Y220-M547 HydrophobicContact CD1-CG 3.27Å; Y220-M547 HydrophobicContact CD1-SD 4.16Å; Y220-M547 HydrophobicContact CD2-CE 4.02Å; Y220-M547 HydrophobicContact CD2-CG 4.3Å; Y220-M547 HydrophobicContact CD2-SD 4.41Å; Y220-M547 HydrophobicContact CE1-CB 4.45Å; Y220-M547 HydrophobicContact CE1-CG 3.62Å; Y220-M547 HydrophobicContact CE2-CE 4.4Å; Y220-M547 HydrophobicContact CG-CE 4.14Å; Y220-M547 HydrophobicContact CG-CG 3.64Å; Y220-M547 HydrophobicContact CG-SD 3.91Å
221	T	88.1	Confident	79.8	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.043	31%	0.309	C	S	.	.	S	Bend	trans	-138.5	165.3	175.2	57.1	0	0	0	0	108.9	E208 N212 D219 L223 G224 V225	E208-T221 VanDerWaalsContact O-CA 3.24Å; E208-T221 WeakPolarHBondContact O-CA 3.42Å; E208-T221 WeakPolarHBondContact O-CB 3.3Å; N212-T221 HydrophobicContact CB-CG2 3.91Å; D219-T221 VanDerWaalsContact C-N 3.25Å; D219-T221 PolarHBondContact O-N 2.79Å; T221-L223 PolarHBondContact O-N 2.86Å; T221-G224 PolarHBondContact O-N 3.12Å; T221-G224 VanDerWaalsContact O-N 3.1Å; T221-G224 PolarHBondContact OG1-N 2.72Å; T221-V225 WeakPolarHBondContact O-CG2 3.45Å; T221-V225 PolarHBondContact O-N 2.83Å
222	L	91.2	Very high	80	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-41.6	174.4	-175.8	63.5	0	0	0	111.2	E208 L209 G224 V225 L226 I242 P542 L585 I588 M589	E208-L222 PolarHBondContact O-N 2.82Å; L209-L222 HydrophobicContact CD2-CB 4.34Å; L209-L222 HydrophobicContact CD2-CD2 3.86Å; L222-G224 PolarHBondContact O-N 3.46Å; L222-V225 PolarHBondContact O-N 2.91Å; L222-L226 HydrophobicContact CD1-CD1 3.98Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 3.99Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.81Å; L222-I242 HydrophobicContact CD2-CG2 4.1Å; L222-P542 HydrophobicContact CD1-CG 4.14Å; L222-L585 HydrophobicContact CB-CD2 4.11Å; L222-L585 HydrophobicContact CD1-CD2 4.32Å; L222-L585 HydrophobicContact CD2-CD2 3.89Å; L222-L585 HydrophobicContact CG-CD2 4.32Å; L222-I588 HydrophobicContact CD2-CG2 3.93Å; L222-M589 HydrophobicContact CD1-CG 3.93Å; L222-M589 HydrophobicContact CD1-SD 3.81Å; L222-M589 HydrophobicContact CD2-CG 4.42Å
223	L	87.1	Confident	79.7	Confident	23 Å²	23	64.8 Å²	64.8	12%	0.12	31%	0.309	C	S	.	.	H	α-helix	trans	-58	-46.5	173.6	178.8	64.1	0	0	0	111.3	L209 V210 T221 V225 L226 N227 L238 R239 I242	L209-L223 WeakPolarHBondContact O-CB 3.26Å; L209-L223 PolarHBondContact O-N 3.37Å; V210-L223 HydrophobicContact CG1-CD2 4.09Å; V210-L223 HydrophobicContact CG2-CB 4.47Å; T221-L223 PolarHBondContact O-N 2.86Å; L223-V225 VanDerWaalsContact C-N 3.3Å; L223-V225 PolarHBondContact O-N 2.82Å; L223-L226 PolarHBondContact O-N 2.86Å; L223-N227 HydrophobicContact CD1-CB 4.1Å; L223-N227 HydrophobicContact CG-CB 4.4Å; L223-N227 WeakPolarHBondContact O-CA 3.4Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 2.72Å; L223-L238 HydrophobicContact CD1-CB 4.48Å; L223-L238 HydrophobicContact CD1-CD2 3.99Å; L223-L238 HydrophobicContact CD1-CG 3.96Å; L223-R239 HydrophobicContact CD1-CB 4.19Å; L223-R239 HydrophobicContact CD2-CB 4.2Å; L223-R239 HydrophobicContact CD2-CG 4.24Å; L223-I242 HydrophobicContact CB-CD1 4.03Å; L223-I242 HydrophobicContact CD1-CD1 3.83Å
224	G	88.1	Confident	80.1	Confident	11 Å²	11	61.1 Å²	61.1	11%	0.113	29%	0.289	C	S	.	.	H	α-helix	trans	-67.8	-27	179.5	0	0	0	0	0	114.3	D219 T221 L222 R546	D219-G224 WeakPolarHBondContact O-CA 3.28Å; T221-G224 PolarHBondContact O-N 3.12Å; T221-G224 VanDerWaalsContact O-N 3.1Å; T221-G224 PolarHBondContact OG1-N 2.72Å; L222-G224 PolarHBondContact O-N 3.46Å; G224-R546 VanDerWaalsContact O-CZ 3.31Å; G224-R546 PolarHBondContact O-NH1 2.94Å; G224-R546 PolarHBondContact O-NH2 3.09Å
225	V	91.5	Very high	80.6	Confident	7 Å²	7	51 Å²	51	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-68.8	-45.5	171.4	175.1	0	0	0	0	111	T221 L222 L223 H228 P542 I543 R546	T221-V225 WeakPolarHBondContact O-CG2 3.45Å; T221-V225 PolarHBondContact O-N 2.83Å; L222-V225 PolarHBondContact O-N 2.91Å; L223-V225 VanDerWaalsContact C-N 3.3Å; L223-V225 PolarHBondContact O-N 2.82Å; V225-H228 PolarHBondContact O-NE2 3.32Å; V225-P542 HydrophobicContact CG1-CB 4.36Å; V225-I543 HydrophobicContact CG2-CB 4.42Å; V225-I543 HydrophobicContact CG2-CG1 4.16Å; V225-R546 HydrophobicContact CG2-CB 4.17Å; V225-R546 PolarHBondContact O-NH1 2.79Å
226	L	93.4	Very high	80.9	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-89.3	-18.8	-172.6	-61.7	177.7	0	0	0	114.4	L222 L223 H228 L238 I242 S515 L516 A519 M589 I592	L222-L226 HydrophobicContact CD1-CD1 3.98Å; L222-L226 HydrophobicContact CD1-CG 4.26Å; L222-L226 HydrophobicContact CG-CD1 3.99Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 2.81Å; L223-L226 PolarHBondContact O-N 2.86Å; L226-H228 PolarHBondContact O-N 3.29Å; L226-L238 HydrophobicContact CB-CD2 4.23Å; L226-I242 HydrophobicContact CD1-CD1 4.22Å; L226-S515 PolarHBondContact O-OG 2.87Å; L226-L516 HydrophobicContact CB-CD2 4.24Å; L226-L516 HydrophobicContact CD1-CD2 4.27Å; L226-L516 HydrophobicContact CD2-CD2 4.3Å; L226-A519 HydrophobicContact CD2-CB 4.24Å; L226-M589 HydrophobicContact CD1-CG 4.23Å; L226-M589 HydrophobicContact CD2-CE 3.9Å; L226-I592 HydrophobicContact CD1-CD1 3.76Å
227	N	90.6	Very high	81.8	Confident	55 Å²	55	47.8 Å²	47.8	29%	0.294	23%	0.228	S	C	.	.			trans	-86.1	92.6	-171.2	-173.2	18.5	0	0	0	112.9	L223 T229 L238	L223-N227 HydrophobicContact CD1-CB 4.1Å; L223-N227 HydrophobicContact CG-CB 4.4Å; L223-N227 WeakPolarHBondContact O-CA 3.4Å; L223-N227 WeakPolarHBondContact O-CB 3.47Å; L223-N227 PolarHBondContact O-N 2.72Å; N227-T229 WeakPolarHBondContact OD1-CB 3.4Å; N227-T229 WeakPolarHBondContact OD1-CG2 3.42Å; N227-T229 PolarHBondContact OD1-N 2.89Å; N227-T229 PolarHBondContact OD1-OG1 2.9Å; N227-L238 HydrophobicContact CB-CD2 3.77Å
228	H	92.8	Very high	83.1	Confident	44 Å²	44	36.9 Å²	36.9	20%	0.204	19%	0.187	C	C	.	.			trans	-110.9	15.9	167.7	-63.3	-77.8	0	0	0	112.5	V225 L226 S515 N518 I522	V225-H228 PolarHBondContact O-NE2 3.32Å; L226-H228 PolarHBondContact O-N 3.29Å; H228-S515 WeakPolarHBondContact CA-OG 3.49Å; H228-S515 PolarHBondContact N-OG 2.87Å; H228-N518 HydrophobicContact CB-CB 4.26Å; H228-N518 WeakPolarHBondContact CB-ND2 3.46Å; H228-I522 VanDerWaalsContact CE1-CD1 3.42Å; H228-I522 WeakPolarHBondContact CE1-CD1 3.31Å
229	T	88.6	Confident	83.5	Confident	23 Å²	23	41.5 Å²	41.5	14%	0.141	20%	0.201	C	C	.	.			trans	-61	147.6	-178.7	63.4	0	0	0	0	111.7	N227 A235 L238 D511 S515	N227-T229 WeakPolarHBondContact OD1-CB 3.4Å; N227-T229 WeakPolarHBondContact OD1-CG2 3.42Å; N227-T229 PolarHBondContact OD1-N 2.89Å; N227-T229 PolarHBondContact OD1-OG1 2.9Å; T229-A235 WeakPolarHBondContact OG1-CA 3.49Å; T229-A235 WeakPolarHBondContact OG1-CB 3.37Å; T229-A235 PolarHBondContact OG1-N 2.96Å; T229-L238 HydrophobicContact CG2-CD2 4.4Å; T229-D511 WeakPolarHBondContact CA-OD1 3.34Å; T229-D511 WeakPolarHBondContact CB-OD2 3.48Å; T229-S515 PolarHBondContact N-OG 2.9Å
230	K	89.3	Confident	83.6	Confident	109 Å²	109	37.1 Å²	37.1	47%	0.474	18%	0.18	S	C	.	.	S	Bend	trans	-97.8	-23.1	179.1	-57.2	-58.4	-178	-175	0	112.8	N273 I276 D511	K230-N273 WeakPolarHBondContact CE-OD1 3.49Å; K230-I276 HydrophobicContact CB-CG2 4.33Å; K230-D511 PolarHBondContact N-OD1 3.15Å; K230-D511 PolarHBondContact N-OD2 2.82Å
231	T	81.6	Confident	83.5	Confident	7 Å²	7	32.8 Å²	32.8	4%	0.043	16%	0.164	C	C	.	.	S	Bend	trans	-109.7	145.6	-177.3	76.5	0	0	0	0	111.2	G233 G234 A235 I276 F279 V507 D511	T231-G233 PolarHBondContact O-N 2.88Å; T231-G234 PolarHBondContact O-N 3.15Å; T231-G234 PolarHBondContact OG1-N 2.82Å; T231-A235 PolarHBondContact O-N 2.9Å; T231-A235 VanDerWaalsContact O-N 3.13Å; T231-I276 HydrophobicContact CG2-CG2 3.76Å; T231-F279 HydrophobicContact CG2-CB 4.11Å; T231-V507 HydrophobicContact CG2-CG1 4.3Å; T231-D511 WeakPolarHBondContact CA-OD2 3.47Å; T231-D511 VanDerWaalsContact CB-OD2 3.26Å; T231-D511 WeakPolarHBondContact CB-OD2 3.45Å; T231-D511 PolarHBondContact N-OD2 2.97Å; T231-D511 PolarHBondContact OG1-OD2 3.31Å
232	P	73.9	Confident	83.4	Confident	61 Å²	61	32.5 Å²	32.5	40%	0.396	16%	0.162	S	C	.	.	H	α-helix	trans	-60.3	-29.2	172.6	-26.2	36.3	0	0	0	113.5	R236 D281	P232-R236 WeakPolarHBondContact O-CG 3.23Å; P232-R236 PolarHBondContact O-N 3.12Å; P232-R236 VanDerWaalsContact O-N 3.09Å; P232-D281 HydrophobicContact CB-CB 4.35Å; P232-D281 HydrophobicContact CG-CB 4.14Å
233	G	69.3	Low	82.7	Confident	8 Å²	8	35.1 Å²	35.1	8%	0.082	18%	0.176	C	C	.	.	H	α-helix	trans	-65.6	-46.2	175.6	0	0	0	0	0	112.2	T231 R236 R237	T231-G233 PolarHBondContact O-N 2.88Å; G233-R236 PolarHBondContact O-N 3.38Å; G233-R237 WeakPolarHBondContact O-CB 3.16Å; G233-R237 PolarHBondContact O-N 3.23Å
234	G	77.1	Confident	82.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.5	-46.7	173.9	0	0	0	0	0	112.2	T231 R236 R237 L238	T231-G234 PolarHBondContact O-N 3.15Å; T231-G234 PolarHBondContact OG1-N 2.82Å; G234-R236 PolarHBondContact O-N 3.1Å; G234-R237 WeakPolarHBondContact O-CB 3.33Å; G234-R237 PolarHBondContact O-N 3.42Å; G234-R237 VanDerWaalsContact O-N 3.14Å; G234-L238 PolarHBondContact O-N 3.01Å
235	A	77.1	Confident	82.5	Confident	25 Å²	25	35 Å²	35	21%	0.207	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-44.3	177.7	0	0	0	0	0	112.7	T229 T231 R239	T229-A235 WeakPolarHBondContact OG1-CA 3.49Å; T229-A235 WeakPolarHBondContact OG1-CB 3.37Å; T229-A235 PolarHBondContact OG1-N 2.96Å; T231-A235 PolarHBondContact O-N 2.9Å; T231-A235 VanDerWaalsContact O-N 3.13Å; A235-R239 WeakPolarHBondContact O-CB 3.29Å; A235-R239 PolarHBondContact O-N 2.98Å
236	R	74.1	Confident	82.5	Confident	106 Å²	106	35.8 Å²	35.8	40%	0.4	18%	0.175	S	C	.	.	H	α-helix	trans	-62.9	-42.4	175.6	-74	-174.5	-59.9	-101.8	6.7	111.5	P232 G233 G234 R239 S240 D281 D283	P232-R236 WeakPolarHBondContact O-CG 3.23Å; P232-R236 PolarHBondContact O-N 3.12Å; P232-R236 VanDerWaalsContact O-N 3.09Å; G233-R236 PolarHBondContact O-N 3.38Å; G234-R236 PolarHBondContact O-N 3.1Å; R236-R239 PolarHBondContact O-N 3.48Å; R236-S240 PolarHBondContact O-N 3.32Å; R236-D281 IonicContact CZ-OD1 3.55Å; R236-D281 IonicContact CZ-OD2 2.84Å; R236-D281 IonicContact NH1-OD1 2.63Å; R236-D281 IonicContact NH1-OD2 3.83Å; R236-D281 PolarHBondContact NH1-OD2 2.94Å; R236-D281 IonicContact NH2-OD1 3.81Å; R236-D281 PolarHBondContact NH2-OD1 3.38Å; R236-D281 IonicContact NH2-OD2 2.9Å; R236-D283 IonicContact CZ-OD2 3.68Å; R236-D283 IonicContact NH2-OD2 2.88Å; R236-D283 PolarHBondContact NH2-OD2 3.43Å
237	R	77.9	Confident	82.3	Confident	41 Å²	41	37.7 Å²	37.7	16%	0.155	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-46.5	178.8	-165.5	-178.6	-161.3	122.9	9.2	111.6	G233 G234 R239 S240 N241 D505 S508 M509 M512	G233-R237 WeakPolarHBondContact O-CB 3.16Å; G233-R237 PolarHBondContact O-N 3.23Å; G234-R237 WeakPolarHBondContact O-CB 3.33Å; G234-R237 PolarHBondContact O-N 3.42Å; G234-R237 VanDerWaalsContact O-N 3.14Å; R237-R239 PolarHBondContact O-N 3.44Å; R237-S240 PolarHBondContact O-N 3.48Å; R237-N241 PolarHBondContact O-N 2.99Å; R237-N241 PolarHBondContact O-ND2 3.1Å; R237-D505 IonicContact CZ-OD1 3.44Å; R237-D505 VanDerWaalsContact CZ-OD1 3.24Å; R237-D505 PolarHBondContact NH1-O 2.93Å; R237-D505 IonicContact NH1-OD1 2.64Å; R237-D505 PolarHBondContact NH1-OD1 3.23Å; R237-D505 IonicContact NH2-OD1 2.84Å; R237-D505 PolarHBondContact NH2-OD1 2.92Å; R237-D505 IonicContact NH2-OD2 3.65Å; R237-S508 PolarHBondContact NH1-OG 3.26Å; R237-M509 VanDerWaalsContact CZ-CE 3.45Å; R237-M509 PolarHBondContact NE-SD 2.87Å; R237-M512 HydrophobicContact CB-SD 4.41Å; R237-M512 HydrophobicContact CG-SD 3.88Å
238	L	83.1	Confident	82.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.4	-49.3	176.8	-179.6	59.9	0	0	0	111	L223 L226 N227 T229 G234 S240 N241 I242 M512 L516	L223-L238 HydrophobicContact CD1-CB 4.48Å; L223-L238 HydrophobicContact CD1-CD2 3.99Å; L223-L238 HydrophobicContact CD1-CG 3.96Å; L226-L238 HydrophobicContact CB-CD2 4.23Å; N227-L238 HydrophobicContact CB-CD2 3.77Å; T229-L238 HydrophobicContact CG2-CD2 4.4Å; G234-L238 PolarHBondContact O-N 3.01Å; L238-S240 VanDerWaalsContact C-N 3.3Å; L238-S240 PolarHBondContact O-N 2.92Å; L238-N241 PolarHBondContact O-N 3.33Å; L238-N241 VanDerWaalsContact O-N 3.13Å; L238-I242 HydrophobicContact CD1-CD1 4.15Å; L238-I242 HydrophobicContact CD1-CG1 4.37Å; L238-I242 HydrophobicContact CG-CD1 4.04Å; L238-I242 WeakPolarHBondContact O-CG1 3.47Å; L238-I242 PolarHBondContact O-N 3.32Å; L238-M512 HydrophobicContact CB-CG 4.01Å; L238-M512 HydrophobicContact CD1-CG 4.01Å; L238-L516 HydrophobicContact CD1-CD2 3.99Å
239	R	79.8	Confident	82.2	Confident	119 Å²	119	38.3 Å²	38.3	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-55	-45.4	175.8	179.6	-174.6	170.5	109.4	5.8	112	V210 L223 A235 R236 R237 I242 L243	V210-R239 HydrophobicContact CG1-CG 4.39Å; V210-R239 HydrophobicContact CG2-CG 4.29Å; L223-R239 HydrophobicContact CD1-CB 4.19Å; L223-R239 HydrophobicContact CD2-CB 4.2Å; L223-R239 HydrophobicContact CD2-CG 4.24Å; A235-R239 WeakPolarHBondContact O-CB 3.29Å; A235-R239 PolarHBondContact O-N 2.98Å; R236-R239 PolarHBondContact O-N 3.48Å; R237-R239 PolarHBondContact O-N 3.44Å; R239-I242 PolarHBondContact O-N 3.48Å; R239-L243 HydrophobicContact CG-CD1 4.32Å; R239-L243 PolarHBondContact O-N 3.25Å
240	S	74.8	Confident	82.4	Confident	28 Å²	28	42.9 Å²	42.9	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-40.6	178.2	-177.9	0	0	0	0	112.3	R236 R237 L238 L243 E244	R236-S240 PolarHBondContact O-N 3.32Å; R237-S240 PolarHBondContact O-N 3.48Å; L238-S240 VanDerWaalsContact C-N 3.3Å; L238-S240 PolarHBondContact O-N 2.92Å; S240-L243 PolarHBondContact O-N 3.17Å; S240-E244 PolarHBondContact O-N 3.45Å
241	N	83.9	Confident	82.5	Confident	15 Å²	15	40.3 Å²	40.3	8%	0.08	21%	0.209	C	C	.	.	H	α-helix	trans	-71.4	-32.6	-179.7	-77.6	-100.7	0	0	0	111.8	R237 L238 E244 P245 R255 M512 I592	R237-N241 PolarHBondContact O-N 2.99Å; R237-N241 PolarHBondContact O-ND2 3.1Å; L238-N241 PolarHBondContact O-N 3.33Å; L238-N241 VanDerWaalsContact O-N 3.13Å; N241-E244 CarbonylContact O-C 3.53Å; N241-P245 WeakPolarHBondContact O-CA 3.48Å; N241-P245 VanDerWaalsContact O-N 3.11Å; N241-R255 VanDerWaalsContact OD1-CZ 3.3Å; N241-R255 PolarHBondContact OD1-NH1 3.47Å; N241-R255 PolarHBondContact OD1-NH2 2.9Å; N241-M512 HydrophobicContact CB-SD 4.26Å; N241-I592 HydrophobicContact CB-CB 4.47Å; N241-I592 HydrophobicContact CB-CG2 4.29Å; N241-I592 WeakPolarHBondContact O-CG2 3.37Å
242	I	85.9	Confident	83.1	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.8	-40.2	174.6	-71.4	170.8	0	0	0	111.7	L209 V210 L222 L223 L226 L238 R239 I592	L209-I242 HydrophobicContact CB-CG2 3.87Å; L209-I242 HydrophobicContact CD1-CG2 4.35Å; L209-I242 HydrophobicContact CD2-CG2 4.45Å; L209-I242 HydrophobicContact CG-CG2 4.45Å; V210-I242 HydrophobicContact CG2-CG2 4.43Å; L222-I242 HydrophobicContact CD2-CG2 4.1Å; L223-I242 HydrophobicContact CB-CD1 4.03Å; L223-I242 HydrophobicContact CD1-CD1 3.83Å; L226-I242 HydrophobicContact CD1-CD1 4.22Å; L238-I242 HydrophobicContact CD1-CD1 4.15Å; L238-I242 HydrophobicContact CD1-CG1 4.37Å; L238-I242 HydrophobicContact CG-CD1 4.04Å; L238-I242 WeakPolarHBondContact O-CG1 3.47Å; L238-I242 PolarHBondContact O-N 3.32Å; R239-I242 PolarHBondContact O-N 3.48Å; I242-I592 HydrophobicContact CG1-CD1 4.33Å
243	L	77.9	Confident	84.1	Confident	56 Å²	56	39.1 Å²	39.1	29%	0.293	20%	0.201	S	C	.	.	H	α-helix	trans	-80.1	-28.5	-179.9	-66.9	173.5	0	0	0	113	A204 L209 V210 R239 S240	A204-L243 HydrophobicContact CB-CD2 4.17Å; L209-L243 HydrophobicContact CD1-CD2 4.4Å; V210-L243 HydrophobicContact CG2-CD1 4.28Å; V210-L243 HydrophobicContact CG2-CD2 3.81Å; V210-L243 HydrophobicContact CG2-CG 3.98Å; R239-L243 HydrophobicContact CG-CD1 4.32Å; R239-L243 PolarHBondContact O-N 3.25Å; S240-L243 PolarHBondContact O-N 3.17Å
244	E	80.3	Confident	85.3	Confident	30 Å²	30	41.1 Å²	41.1	14%	0.14	21%	0.211	C	C	.	.	S	Bend	trans	-129.2	74.1	178.1	-61.6	178.6	171.6	0	0	110	F75 K83 T196 S240 N241	F75-E244 WeakPolarHBondContact CB-OE1 3.38Å; K83-E244 IonicContact NZ-OE2 2.72Å; K83-E244 PolarHBondContact NZ-OE2 3.02Å; T196-E244 HydrophobicContact CG2-CB 4.06Å; S240-E244 PolarHBondContact O-N 3.45Å; N241-E244 CarbonylContact O-C 3.53Å
245	P	90.7	Very high	86.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.			trans	-60.9	160.3	176.6	-22.4	33.5	0	0	0	112.1	T196 T197 I199 N241 I588 Q591 I592	T196-P245 CarbonylContact C-O 3.59Å; T196-P245 WeakPolarHBondContact CA-O 3.39Å; T196-P245 VanDerWaalsContact CB-O 3.28Å; T196-P245 WeakPolarHBondContact CB-O 3.36Å; T197-P245 PolarHBondContact N-O 3.25Å; I199-P245 HydrophobicContact CD1-CG 3.92Å; N241-P245 WeakPolarHBondContact O-CA 3.48Å; N241-P245 VanDerWaalsContact O-N 3.11Å; P245-I588 HydrophobicContact CG-CG2 4.02Å; P245-Q591 HydrophobicContact CB-CB 3.63Å; P245-I592 HydrophobicContact CB-CG2 4.13Å; P245-I592 HydrophobicContact CG-CG2 4.26Å
246	L	89.9	Confident	87.1	Confident	25 Å²	25	40.6 Å²	40.6	13%	0.131	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-82.6	151	-176.5	-62.2	172.9	0	0	0	112.2	T251 I252 Q591	L246-T251 HydrophobicContact CD1-CG2 3.6Å; L246-I252 HydrophobicContact CB-CD1 4.01Å; L246-I252 HydrophobicContact CB-CG1 3.71Å; L246-I252 HydrophobicContact CD1-CG1 3.99Å; L246-Q591 PolarHBondContact N-O 2.85Å; L246-Q591 VanDerWaalsContact N-O 3.11Å; L246-Q591 PolarHBondContact O-NE2 3.22Å
247	L	90.4	Very high	88.1	Confident	40 Å²	40	38.2 Å²	38.2	21%	0.209	20%	0.2	C	C	.	.			trans	-98.1	-25	168.3	-60.1	-179.6	0	0	0	113.1	Q195 T197 V249 I605 A606 D607	Q195-L247 PolarHBondContact O-N 3.42Å; T197-L247 VanDerWaalsContact OG1-CD2 3.23Å; T197-L247 WeakPolarHBondContact OG1-CD2 3.37Å; L247-V249 PolarHBondContact O-N 2.99Å; L247-I605 HydrophobicContact CB-CG2 4.38Å; L247-I605 HydrophobicContact CD2-CG2 3.89Å; L247-A606 WeakPolarHBondContact CD2-O 3.38Å; L247-D607 HydrophobicContact CD2-CB 4.39Å
248	D	89.8	Confident	88.9	Confident	57 Å²	57	36.3 Å²	36.3	31%	0.305	19%	0.192	S	C	.	.			trans	-77.9	110.1	-176.5	177.7	38.5	0	0	0	111.9	D250 T251 I252	D248-D250 VanDerWaalsContact C-N 3.28Å; D248-D250 PolarHBondContact O-N 3.42Å; D248-D250 PolarHBondContact OD1-N 2.9Å; D248-T251 PolarHBondContact O-N 3Å; D248-T251 WeakPolarHBondContact OD2-CB 3.36Å; D248-T251 PolarHBondContact OD2-N 2.92Å; D248-T251 PolarHBondContact OD2-OG1 3.44Å; D248-I252 WeakPolarHBondContact O-CD1 3.35Å; D248-I252 VanDerWaalsContact O-CG1 3.25Å; D248-I252 WeakPolarHBondContact O-CG1 3.41Å; D248-I252 PolarHBondContact O-N 2.84Å
249	V	91.9	Very high	89.5	Confident	54 Å²	54	36.3 Å²	36.3	33%	0.327	19%	0.192	S	C	.	.	H	α-helix	trans	-61.9	-36.1	-178.1	-179	0	0	0	0	111.4	L247 I252 T253 F530 I605	L247-V249 PolarHBondContact O-N 2.99Å; V249-I252 PolarHBondContact O-N 3.33Å; V249-T253 VanDerWaalsContact O-CB 3.32Å; V249-T253 WeakPolarHBondContact O-CB 3.4Å; V249-T253 PolarHBondContact O-N 3.29Å; V249-T253 PolarHBondContact O-OG1 3.42Å; V249-F530 HydrophobicContact CG1-CB 4.02Å; V249-F530 HydrophobicContact CG1-CD2 4.37Å; V249-F530 HydrophobicContact CG1-CG 4.32Å; V249-I605 HydrophobicContact CG2-CD1 3.86Å; V249-I605 HydrophobicContact CG2-CG1 3.55Å
250	D	92	Very high	90.3	Very high	119 Å²	119	33 Å²	33	64%	0.636	18%	0.182	S	C	*	.	H	α-helix	trans	-66.4	-48.3	-179	-69.9	-26	0	0	0	110.2	D248 I252 T253 T254	D248-D250 VanDerWaalsContact C-N 3.28Å; D248-D250 PolarHBondContact O-N 3.42Å; D248-D250 PolarHBondContact OD1-N 2.9Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 PolarHBondContact O-N 3.43Å; D250-T253 PolarHBondContact O-N 3.23Å; D250-T254 WeakPolarHBondContact O-CG2 3.48Å; D250-T254 PolarHBondContact O-N 3.16Å
251	T	90.8	Very high	91.2	Very high	55 Å²	55	32.5 Å²	32.5	34%	0.337	18%	0.177	S	C	.	.	H	α-helix	trans	-60.4	-42.2	174.2	-61.6	0	0	0	0	111.8	L246 D248 T253 T254 R255	L246-T251 HydrophobicContact CD1-CG2 3.6Å; D248-T251 PolarHBondContact O-N 3Å; D248-T251 WeakPolarHBondContact OD2-CB 3.36Å; D248-T251 PolarHBondContact OD2-N 2.92Å; D248-T251 PolarHBondContact OD2-OG1 3.44Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 3.34Å; T251-T254 PolarHBondContact O-N 3Å; T251-T254 PolarHBondContact O-OG1 3.19Å; T251-R255 PolarHBondContact O-N 2.92Å
252	I	94.8	Very high	91.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.7	-44.7	176.5	-63.8	161.9	0	0	0	110.6	L246 D248 V249 D250 T254 R255 L256 F530 A590 I605	L246-I252 HydrophobicContact CB-CD1 4.01Å; L246-I252 HydrophobicContact CB-CG1 3.71Å; L246-I252 HydrophobicContact CD1-CG1 3.99Å; D248-I252 WeakPolarHBondContact O-CD1 3.35Å; D248-I252 VanDerWaalsContact O-CG1 3.25Å; D248-I252 WeakPolarHBondContact O-CG1 3.41Å; D248-I252 PolarHBondContact O-N 2.84Å; V249-I252 PolarHBondContact O-N 3.33Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 PolarHBondContact O-N 3.43Å; I252-T254 PolarHBondContact O-N 3.37Å; I252-R255 WeakPolarHBondContact O-CB 3.37Å; I252-R255 PolarHBondContact O-N 2.8Å; I252-R255 VanDerWaalsContact O-N 3.14Å; I252-L256 HydrophobicContact CG2-CD1 4.12Å; I252-L256 HydrophobicContact CG2-CG 4.37Å; I252-L256 WeakPolarHBondContact O-CG 3.49Å; I252-L256 PolarHBondContact O-N 2.85Å; I252-F530 HydrophobicContact CB-CE2 4.28Å; I252-F530 HydrophobicContact CD1-CE1 4.48Å; I252-F530 HydrophobicContact CD1-CZ 4.19Å; I252-F530 HydrophobicContact CG2-CD2 4.42Å; I252-F530 HydrophobicContact CG2-CE2 3.39Å; I252-F530 HydrophobicContact CG2-CZ 3.6Å; I252-A590 WeakPolarHBondContact CG2-O 3.34Å; I252-I605 HydrophobicContact CD1-CD1 3.79Å
253	T	94.6	Very high	92	Very high	44 Å²	44	34.5 Å²	34.5	27%	0.27	19%	0.187	S	C	.	.	H	α-helix	trans	-62.6	-42.6	-179.4	-57.6	0	0	0	0	111.2	V249 D250 T251 R255 L256 D257	V249-T253 VanDerWaalsContact O-CB 3.32Å; V249-T253 WeakPolarHBondContact O-CB 3.4Å; V249-T253 PolarHBondContact O-N 3.29Å; V249-T253 PolarHBondContact O-OG1 3.42Å; D250-T253 PolarHBondContact O-N 3.23Å; T251-T253 VanDerWaalsContact C-N 3.33Å; T251-T253 PolarHBondContact O-N 3.34Å; T253-R255 VanDerWaalsContact C-N 3.26Å; T253-R255 PolarHBondContact O-N 3.03Å; T253-L256 PolarHBondContact O-N 2.88Å; T253-L256 VanDerWaalsContact O-N 3.15Å; T253-D257 VanDerWaalsContact O-CG 3.31Å; T253-D257 PolarHBondContact O-N 3.33Å
254	T	94.4	Very high	92.7	Very high	49 Å²	49	38.8 Å²	38.8	30%	0.301	21%	0.205	S	C	.	.	H	α-helix	trans	-62.4	-31.5	176.1	61.5	0	0	0	0	113.2	D250 T251 I252 A258	D250-T254 WeakPolarHBondContact O-CG2 3.48Å; D250-T254 PolarHBondContact O-N 3.16Å; T251-T254 PolarHBondContact O-N 3Å; T251-T254 PolarHBondContact O-OG1 3.19Å; I252-T254 PolarHBondContact O-N 3.37Å; T254-A258 PolarHBondContact O-N 3.27Å
255	R	95.3	Very high	93.3	Very high	12 Å²	12	39.6 Å²	39.6	5%	0.045	21%	0.211	C	C	.	.	H	α-helix	trans	-70.9	-45.3	172.3	-68.1	180	179.2	-172.8	0.5	111.7	N241 T251 I252 T253 D257 A258 I259 L335 L513 I592	N241-R255 VanDerWaalsContact OD1-CZ 3.3Å; N241-R255 PolarHBondContact OD1-NH1 3.47Å; N241-R255 PolarHBondContact OD1-NH2 2.9Å; T251-R255 PolarHBondContact O-N 2.92Å; I252-R255 WeakPolarHBondContact O-CB 3.37Å; I252-R255 PolarHBondContact O-N 2.8Å; I252-R255 VanDerWaalsContact O-N 3.14Å; T253-R255 VanDerWaalsContact C-N 3.26Å; T253-R255 PolarHBondContact O-N 3.03Å; R255-D257 VanDerWaalsContact C-N 3.28Å; R255-D257 PolarHBondContact O-N 2.94Å; R255-A258 PolarHBondContact O-N 3.1Å; R255-I259 WeakPolarHBondContact O-CG1 3.36Å; R255-I259 PolarHBondContact O-N 2.95Å; R255-L335 HydrophobicContact CG-CD1 4.36Å; R255-L513 HydrophobicContact CB-CD2 4.05Å; R255-L513 HydrophobicContact CG-CD2 4.19Å; R255-I592 PolarHBondContact NH1-O 3.4Å
256	L	96.3	Very high	93.3	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-59.9	-39.4	176.9	-70.5	173.8	0	0	0	111.7	I252 T253 I259 Q260 P528 F530 F595	I252-L256 HydrophobicContact CG2-CD1 4.12Å; I252-L256 HydrophobicContact CG2-CG 4.37Å; I252-L256 WeakPolarHBondContact O-CG 3.49Å; I252-L256 PolarHBondContact O-N 2.85Å; T253-L256 PolarHBondContact O-N 2.88Å; T253-L256 VanDerWaalsContact O-N 3.15Å; L256-I259 PolarHBondContact O-N 3.12Å; L256-Q260 WeakPolarHBondContact O-CB 3.47Å; L256-Q260 PolarHBondContact O-N 3.41Å; L256-P528 HydrophobicContact CD1-CG 4.17Å; L256-P528 HydrophobicContact CD2-CG 4.15Å; L256-F530 HydrophobicContact CD1-CE2 4.01Å; L256-F595 HydrophobicContact CD2-CD1 3.74Å; L256-F595 HydrophobicContact CD2-CE1 3.9Å
257	D	95.8	Very high	93.3	Very high	57 Å²	57	53.1 Å²	53.1	31%	0.305	27%	0.273	S	S	.	.	H	α-helix	trans	-63.6	-44.1	175.1	-70.6	-27.9	0	0	0	111.7	T253 R255 I259 Q260 E261 T333 R527	T253-D257 VanDerWaalsContact O-CG 3.31Å; T253-D257 PolarHBondContact O-N 3.33Å; R255-D257 VanDerWaalsContact C-N 3.28Å; R255-D257 PolarHBondContact O-N 2.94Å; D257-I259 PolarHBondContact O-N 3.46Å; D257-Q260 WeakPolarHBondContact O-CB 3.38Å; D257-Q260 PolarHBondContact O-N 3.21Å; D257-E261 PolarHBondContact O-N 2.79Å; D257-T333 HydrophobicContact CB-CG2 4Å; D257-T333 WeakPolarHBondContact O-CG2 3.49Å; D257-R527 IonicContact OD1-CZ 2.67Å; D257-R527 IonicContact OD1-NH1 3.07Å; D257-R527 PolarHBondContact OD1-NH1 3.5Å; D257-R527 IonicContact OD1-NH2 3.88Å; D257-R527 PolarHBondContact OD1-NH2 2.91Å
258	A	95.3	Very high	93.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-41.3	176.4	0	0	0	0	0	112.1	T254 R255 E261 L262 L335 L336 L513	T254-A258 PolarHBondContact O-N 3.27Å; R255-A258 PolarHBondContact O-N 3.1Å; A258-E261 PolarHBondContact O-N 2.8Å; A258-L262 VanDerWaalsContact O-CG 3.26Å; A258-L262 WeakPolarHBondContact O-CG 3.39Å; A258-L262 PolarHBondContact O-N 3.45Å; A258-L335 HydrophobicContact CB-CD2 4.05Å; A258-L336 HydrophobicContact CB-CD1 4.5Å; A258-L336 HydrophobicContact CB-CD2 4.44Å; A258-L336 HydrophobicContact CB-CG 4.16Å; A258-L513 HydrophobicContact CB-CD1 4.16Å
259	I	95.6	Very high	93.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-44	174.5	-67.2	173.1	0	0	0	110.8	R255 L256 D257 E261 L262 L263 L513 L516 A517 G593 F595	R255-I259 WeakPolarHBondContact O-CG1 3.36Å; R255-I259 PolarHBondContact O-N 2.95Å; L256-I259 PolarHBondContact O-N 3.12Å; D257-I259 PolarHBondContact O-N 3.46Å; I259-E261 VanDerWaalsContact C-N 3.29Å; I259-E261 PolarHBondContact O-N 2.78Å; I259-L262 WeakPolarHBondContact O-CB 3.18Å; I259-L262 PolarHBondContact O-N 3.11Å; I259-L263 HydrophobicContact CG2-CD1 3.88Å; I259-L263 HydrophobicContact CG2-CG 4.27Å; I259-L263 WeakPolarHBondContact O-CG 3.46Å; I259-L263 PolarHBondContact O-N 3.48Å; I259-L513 HydrophobicContact CD1-CD2 4.37Å; I259-L513 HydrophobicContact CG1-CD2 4.16Å; I259-L516 HydrophobicContact CD1-CB 3.71Å; I259-L516 HydrophobicContact CD1-CD1 3.94Å; I259-L516 HydrophobicContact CD1-CG 4.5Å; I259-A517 HydrophobicContact CG2-CB 4.19Å; I259-G593 WeakPolarHBondContact CD1-O 3.42Å; I259-F595 HydrophobicContact CB-CE1 4.18Å; I259-F595 HydrophobicContact CG2-CD1 4.07Å; I259-F595 HydrophobicContact CG2-CE1 3.8Å; I259-F595 HydrophobicContact CG2-CZ 4.16Å
260	Q	95.3	Very high	93.4	Very high	51 Å²	51	52.8 Å²	52.8	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-58.7	-42.1	177.5	-175.1	66.1	61.8	0	0	111.7	L256 D257 L263 Q264 F595	L256-Q260 WeakPolarHBondContact O-CB 3.47Å; L256-Q260 PolarHBondContact O-N 3.41Å; D257-Q260 WeakPolarHBondContact O-CB 3.38Å; D257-Q260 PolarHBondContact O-N 3.21Å; Q260-L263 PolarHBondContact O-N 3.22Å; Q260-Q264 VanDerWaalsContact NE2-NE2 3.17Å; Q260-Q264 VanDerWaalsContact O-CG 3.32Å; Q260-Q264 WeakPolarHBondContact O-CG 3.18Å; Q260-Q264 PolarHBondContact O-N 2.97Å; Q260-Q264 VanDerWaalsContact O-N 3.08Å; Q260-F595 HydrophobicContact CB-CZ 4.2Å
261	E	94.9	Very high	93.4	Very high	17 Å²	17	48.2 Å²	48.2	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-64.4	-43.4	175.4	178.3	167.9	-153.2	0	0	111.8	D257 A258 I259 L263 Q264 N265 L268 C331 N332 T333	D257-E261 PolarHBondContact O-N 2.79Å; A258-E261 PolarHBondContact O-N 2.8Å; I259-E261 VanDerWaalsContact C-N 3.29Å; I259-E261 PolarHBondContact O-N 2.78Å; E261-L263 VanDerWaalsContact C-N 3.28Å; E261-L263 PolarHBondContact O-N 2.85Å; E261-Q264 PolarHBondContact O-N 2.92Å; E261-N265 WeakPolarHBondContact O-CB 3.5Å; E261-N265 PolarHBondContact O-N 3.38Å; E261-L268 HydrophobicContact CG-CD2 4.09Å; E261-C331 WeakPolarHBondContact OE1-CA 3.43Å; E261-N332 WeakPolarHBondContact OE1-CB 3.38Å; E261-N332 PolarHBondContact OE1-N 3.43Å; E261-N332 PolarHBondContact OE2-N 2.97Å; E261-T333 HydrophobicContact CB-CG2 3.89Å; E261-T333 WeakPolarHBondContact OE2-CB 3.38Å; E261-T333 WeakPolarHBondContact OE2-CG2 3.32Å; E261-T333 PolarHBondContact OE2-N 2.64Å; E261-T333 PolarHBondContact OE2-OG1 2.95Å
262	L	93.7	Very high	93.4	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-36	175.8	-70.1	169.1	0	0	0	112.5	A258 I259 L268 L272 L513 A517	A258-L262 VanDerWaalsContact O-CG 3.26Å; A258-L262 WeakPolarHBondContact O-CG 3.39Å; A258-L262 PolarHBondContact O-N 3.45Å; I259-L262 WeakPolarHBondContact O-CB 3.18Å; I259-L262 PolarHBondContact O-N 3.11Å; L262-L268 HydrophobicContact CD2-CD2 3.7Å; L262-L268 HydrophobicContact CD2-CG 3.92Å; L262-L272 HydrophobicContact CD2-CD1 3.5Å; L262-L513 HydrophobicContact CD1-CB 4.31Å; L262-A517 HydrophobicContact CB-CB 4.04Å; L262-A517 HydrophobicContact CD1-CB 4.23Å
263	L	92.9	Very high	93.2	Very high	52 Å²	52	47.5 Å²	47.5	27%	0.272	24%	0.239	S	C	.	.	H	α-helix	trans	-74.9	-29.3	177.8	-68.4	173.4	0	0	0	113	I259 Q260 E261 A517 C520 T521 F595	I259-L263 HydrophobicContact CG2-CD1 3.88Å; I259-L263 HydrophobicContact CG2-CG 4.27Å; I259-L263 WeakPolarHBondContact O-CG 3.46Å; I259-L263 PolarHBondContact O-N 3.48Å; Q260-L263 PolarHBondContact O-N 3.22Å; E261-L263 VanDerWaalsContact C-N 3.28Å; E261-L263 PolarHBondContact O-N 2.85Å; L263-A517 HydrophobicContact CD2-CB 4.27Å; L263-A517 WeakPolarHBondContact CD2-O 3.03Å; L263-A517 HydrophobicContact CG-CB 4.48Å; L263-C520 HydrophobicContact CD1-CB 3.9Å; L263-C520 HydrophobicContact CD2-CB 3.99Å; L263-T521 HydrophobicContact CD2-CG2 3.7Å; L263-F595 HydrophobicContact CD1-CD2 4.06Å; L263-F595 HydrophobicContact CD1-CE2 3.61Å; L263-F595 HydrophobicContact CD1-CZ 4.06Å
264	Q	92.9	Very high	93	Very high	147 Å²	147	49 Å²	49	69%	0.687	25%	0.251	S	S	*	.	H	α-helix	trans	-84.1	-26.4	179.1	-73.4	175	-8.4	0	0	113.1	Q260 E261	Q260-Q264 VanDerWaalsContact NE2-NE2 3.17Å; Q260-Q264 VanDerWaalsContact O-CG 3.32Å; Q260-Q264 WeakPolarHBondContact O-CG 3.18Å; Q260-Q264 PolarHBondContact O-N 2.97Å; Q260-Q264 VanDerWaalsContact O-N 3.08Å; E261-Q264 PolarHBondContact O-N 2.92Å
265	N	92.4	Very high	92.8	Very high	47 Å²	47	47 Å²	47	25%	0.251	24%	0.239	S	C	.	.			trans	-113.5	93.3	-177.6	-171.4	-17.3	0	0	0	111.2	E261 E267 L268 F269	E261-N265 WeakPolarHBondContact O-CB 3.5Å; E261-N265 PolarHBondContact O-N 3.38Å; N265-E267 VanDerWaalsContact C-N 3.32Å; N265-E267 PolarHBondContact O-N 3.28Å; N265-E267 PolarHBondContact OD1-N 3.42Å; N265-L268 HydrophobicContact CB-CB 3.92Å; N265-L268 WeakPolarHBondContact O-CB 3.47Å; N265-L268 PolarHBondContact O-N 3.1Å; N265-L268 PolarHBondContact OD1-N 2.82Å; N265-L268 VanDerWaalsContact OD1-N 3.14Å; N265-F269 PolarHBondContact O-N 2.59Å
266	E	89.8	Confident	92.6	Very high	140 Å²	140	46.5 Å²	46.5	65%	0.654	24%	0.237	S	C	*	.	H	α-helix	trans	-60.9	-37.7	-180	-66.5	-174.8	179.1	0	0	112.9	L268 F269 F270	E266-L268 VanDerWaalsContact C-N 3.34Å; E266-L268 PolarHBondContact O-N 3.39Å; E266-F269 PolarHBondContact O-N 3.14Å; E266-F270 HydrophobicContact CB-CD2 4.25Å; E266-F270 HydrophobicContact CB-CE2 4.24Å; E266-F270 WeakPolarHBondContact O-CD2 3.35Å; E266-F270 PolarHBondContact O-N 3.37Å
267	E	90.6	Very high	92.2	Very high	169 Å²	169	48.2 Å²	48.2	79%	0.79	26%	0.255	S	S	*	.	H	α-helix	trans	-62.3	-43.3	178.6	-64.3	-174.9	171.7	0	0	111.2	N265 G271	N265-E267 VanDerWaalsContact C-N 3.32Å; N265-E267 PolarHBondContact O-N 3.28Å; N265-E267 PolarHBondContact OD1-N 3.42Å; E267-G271 WeakPolarHBondContact O-CA 2.99Å; E267-G271 PolarHBondContact O-N 2.93Å
268	L	91	Very high	91.8	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-62.3	-46.1	174.7	-178	73	0	0	0	111	E261 L262 N265 E266 L272 V327 C331 L336	E261-L268 HydrophobicContact CG-CD2 4.09Å; L262-L268 HydrophobicContact CD2-CD2 3.7Å; L262-L268 HydrophobicContact CD2-CG 3.92Å; N265-L268 HydrophobicContact CB-CB 3.92Å; N265-L268 WeakPolarHBondContact O-CB 3.47Å; N265-L268 PolarHBondContact O-N 3.1Å; N265-L268 PolarHBondContact OD1-N 2.82Å; N265-L268 VanDerWaalsContact OD1-N 3.14Å; E266-L268 VanDerWaalsContact C-N 3.34Å; E266-L268 PolarHBondContact O-N 3.39Å; L268-L272 HydrophobicContact CD1-CD1 4.1Å; L268-L272 HydrophobicContact CD1-CG 4.36Å; L268-L272 HydrophobicContact CG-CD1 4.03Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 2.77Å; L268-V327 HydrophobicContact CD1-CG1 4.02Å; L268-V327 VanDerWaalsContact CD1-O 3.28Å; L268-V327 WeakPolarHBondContact CD1-O 3.37Å; L268-C331 WeakPolarHBondContact CD1-SG 3.18Å; L268-L336 HydrophobicContact CD2-CD1 4.16Å
269	F	92	Very high	91.3	Very high	15 Å²	15	50.9 Å²	50.9	7%	0.066	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-53.4	-179.7	178.8	-95.2	0	0	0	112.3	N265 E266 L272 N273 L514 A517 N518	N265-F269 PolarHBondContact O-N 2.59Å; E266-F269 PolarHBondContact O-N 3.14Å; F269-L272 PolarHBondContact O-N 3.35Å; F269-N273 VanDerWaalsContact O-CB 3.3Å; F269-N273 WeakPolarHBondContact O-CB 3.37Å; F269-N273 PolarHBondContact O-N 2.77Å; F269-L514 HydrophobicContact CD2-CD1 3.48Å; F269-L514 VanDerWaalsContact CD2-CD1 3.48Å; F269-L514 HydrophobicContact CE2-CD1 3.54Å; F269-L514 HydrophobicContact CE2-CG 4.42Å; F269-L514 HydrophobicContact CG-CD1 4.21Å; F269-L514 HydrophobicContact CZ-CD1 4.31Å; F269-A517 HydrophobicContact CD2-CB 4.3Å; F269-A517 HydrophobicContact CE2-CB 4.04Å; F269-N518 HydrophobicContact CE2-CB 4.22Å; F269-N518 HydrophobicContact CZ-CB 3.95Å
270	F	91.4	Very high	90.6	Very high	125 Å²	125	52.9 Å²	52.9	55%	0.548	28%	0.276	S	S	.	.	H	α-helix	trans	-68.9	-37.1	-179.9	-71.6	-65.3	0	0	0	112.2	E266 N273 S274	E266-F270 HydrophobicContact CB-CD2 4.25Å; E266-F270 HydrophobicContact CB-CE2 4.24Å; E266-F270 WeakPolarHBondContact O-CD2 3.35Å; E266-F270 PolarHBondContact O-N 3.37Å; F270-N273 PolarHBondContact O-N 2.94Å; F270-S274 WeakPolarHBondContact O-CB 3.42Å; F270-S274 PolarHBondContact O-N 2.96Å
271	G	91.2	Very high	89.6	Confident	23 Å²	23	52.1 Å²	52.1	24%	0.237	27%	0.274	C	S	.	.	H	α-helix	trans	-59.8	-48.2	174.6	0	0	0	0	0	112.2	E267 S274 A275	E267-G271 WeakPolarHBondContact O-CA 2.99Å; E267-G271 PolarHBondContact O-N 2.93Å; G271-S274 PolarHBondContact O-N 3.45Å; G271-A275 WeakPolarHBondContact O-CB 3.47Å; G271-A275 PolarHBondContact O-N 3.02Å
272	L	91.3	Very high	88.5	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-42.2	176.7	-74.7	175.3	0	0	0	112	L262 L268 F269 S274 A275 I276 L324 V327 L328 L514	L262-L272 HydrophobicContact CD2-CD1 3.5Å; L268-L272 HydrophobicContact CD1-CD1 4.1Å; L268-L272 HydrophobicContact CD1-CG 4.36Å; L268-L272 HydrophobicContact CG-CD1 4.03Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 VanDerWaalsContact O-CG 3.31Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 2.77Å; F269-L272 PolarHBondContact O-N 3.35Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 3.35Å; L272-A275 PolarHBondContact O-N 3.49Å; L272-I276 HydrophobicContact CB-CD1 4.44Å; L272-I276 VanDerWaalsContact O-CB 3.32Å; L272-I276 WeakPolarHBondContact O-CB 3.33Å; L272-I276 VanDerWaalsContact O-CG1 3.28Å; L272-I276 WeakPolarHBondContact O-CG1 3.48Å; L272-I276 PolarHBondContact O-N 3.35Å; L272-L324 HydrophobicContact CD2-CD1 3.55Å; L272-V327 HydrophobicContact CD2-CB 4.44Å; L272-V327 HydrophobicContact CD2-CG1 3.72Å; L272-V327 HydrophobicContact CG-CG1 3.66Å; L272-L328 HydrophobicContact CD1-CD2 4.26Å; L272-L328 HydrophobicContact CD2-CD2 3.9Å; L272-L328 HydrophobicContact CD2-CG 4.07Å; L272-L514 HydrophobicContact CB-CD1 4.45Å
273	N	90.1	Very high	86.9	Confident	39 Å²	39	54.1 Å²	54.1	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-40.7	178.6	-165.5	13.7	0	0	0	112	K230 F269 F270 G277 L514	K230-N273 WeakPolarHBondContact CE-OD1 3.49Å; F269-N273 VanDerWaalsContact O-CB 3.3Å; F269-N273 WeakPolarHBondContact O-CB 3.37Å; F269-N273 PolarHBondContact O-N 2.77Å; F270-N273 PolarHBondContact O-N 2.94Å; N273-G277 PolarHBondContact O-N 3Å; N273-L514 VanDerWaalsContact CA-CD2 3.48Å; N273-L514 HydrophobicContact CB-CD1 4.4Å; N273-L514 HydrophobicContact CB-CD2 3.77Å
274	S	90.4	Very high	85.6	Confident	75 Å²	75	60.3 Å²	60.3	52%	0.524	31%	0.305	S	S	.	.	H	α-helix	trans	-67.4	-45.4	174.4	-167.8	0	0	0	0	111.9	F270 G271 L272 H278	F270-S274 WeakPolarHBondContact O-CB 3.42Å; F270-S274 PolarHBondContact O-N 2.96Å; G271-S274 PolarHBondContact O-N 3.45Å; L272-S274 VanDerWaalsContact C-N 3.31Å; L272-S274 PolarHBondContact O-N 3.35Å; S274-H278 PolarHBondContact O-CD2 2.93Å
275	A	91	Very high	84.3	Confident	7 Å²	7	53.6 Å²	53.6	6%	0.058	27%	0.274	C	S	.	.	H	α-helix	trans	-64.9	-51	-178.3	0	0	0	0	0	111.9	G271 L272 G277 H278 F279 L324	G271-A275 WeakPolarHBondContact O-CB 3.47Å; G271-A275 PolarHBondContact O-N 3.02Å; L272-A275 PolarHBondContact O-N 3.49Å; A275-G277 VanDerWaalsContact C-N 3.3Å; A275-G277 PolarHBondContact O-N 3.11Å; A275-H278 PolarHBondContact O-N 3.15Å; A275-F279 VanDerWaalsContact O-CD2 3.25Å; A275-F279 WeakPolarHBondContact O-CD2 3.35Å; A275-L324 HydrophobicContact CB-CD1 4.29Å
276	I	90.8	Very high	82.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-34.7	-177.5	-65.7	174.5	0	0	0	111.2	K230 T231 L272 H278 F279 L510 D511 L514	K230-I276 HydrophobicContact CB-CG2 4.33Å; T231-I276 HydrophobicContact CG2-CG2 3.76Å; L272-I276 HydrophobicContact CB-CD1 4.44Å; L272-I276 VanDerWaalsContact O-CB 3.32Å; L272-I276 WeakPolarHBondContact O-CB 3.33Å; L272-I276 VanDerWaalsContact O-CG1 3.28Å; L272-I276 WeakPolarHBondContact O-CG1 3.48Å; L272-I276 PolarHBondContact O-N 3.35Å; I276-H278 PolarHBondContact O-N 3.44Å; I276-F279 PolarHBondContact O-N 3.38Å; I276-L510 HydrophobicContact CD1-CB 3.84Å; I276-D511 HydrophobicContact CG2-CB 3.8Å; I276-L514 HydrophobicContact CD1-CD2 4.29Å
277	G	87.1	Confident	81.2	Confident	38 Å²	38	45.8 Å²	45.8	39%	0.392	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.3	178.2	0	0	0	0	0	115.2	N273 A275	N273-G277 PolarHBondContact O-N 3Å; A275-G277 VanDerWaalsContact C-N 3.3Å; A275-G277 PolarHBondContact O-N 3.11Å
278	H	87.7	Confident	79.7	Confident	103 Å²	103	39.5 Å²	39.5	48%	0.477	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-7.2	178.9	-63	-53.7	0	0	0	114.3	S274 A275 I276 H316 L320	S274-H278 PolarHBondContact O-CD2 2.93Å; A275-H278 PolarHBondContact O-N 3.15Å; I276-H278 PolarHBondContact O-N 3.44Å; H278-H316 PolarHBondContact O-NE2 3.26Å; H278-L320 HydrophobicContact CB-CD1 3.68Å; H278-L320 HydrophobicContact CB-CD2 4.01Å; H278-L320 WeakPolarHBondContact O-CD1 3.32Å
279	F	85.5	Confident	78.1	Confident	11 Å²	11	39.9 Å²	39.9	5%	0.048	21%	0.213	C	C	.	.			trans	-74.5	146.7	177.3	-78.8	-95.9	0	0	0	111.8	T231 A275 I276 I282 T317 L320 L324 V507	T231-F279 HydrophobicContact CG2-CB 4.11Å; A275-F279 VanDerWaalsContact O-CD2 3.25Å; A275-F279 WeakPolarHBondContact O-CD2 3.35Å; I276-F279 PolarHBondContact O-N 3.38Å; F279-I282 HydrophobicContact CD1-CD1 3.94Å; F279-I282 HydrophobicContact CE1-CD1 4.45Å; F279-T317 HydrophobicContact CD1-CG2 3.96Å; F279-T317 HydrophobicContact CE1-CG2 3.99Å; F279-L320 HydrophobicContact CD2-CD1 4.06Å; F279-L320 HydrophobicContact CE1-CB 4.17Å; F279-L320 HydrophobicContact CE2-CB 3.84Å; F279-L320 HydrophobicContact CE2-CD1 4.2Å; F279-L320 HydrophobicContact CG-CD1 4.25Å; F279-L320 HydrophobicContact CZ-CB 3.64Å; F279-L320 HydrophobicContact CZ-CD1 4.48Å; F279-L324 HydrophobicContact CE2-CD2 4.3Å; F279-L324 HydrophobicContact CZ-CB 4.5Å; F279-L324 HydrophobicContact CZ-CD2 4.05Å; F279-V507 HydrophobicContact CB-CG1 4.29Å; F279-V507 HydrophobicContact CD1-CG1 4.34Å; F279-V507 HydrophobicContact CD1-CG2 4.17Å; F279-V507 HydrophobicContact CE1-CG2 4.02Å; F279-V507 HydrophobicContact CG-CG1 4.18Å; F279-V507 HydrophobicContact CZ-CG2 4.36Å
280	L	81.3	Confident	76.3	Confident	42 Å²	42	42.2 Å²	42.2	22%	0.22	23%	0.228	C	C	.	.			trans	-96.1	177.1	174.9	-60.2	172.5	0	0	0	110.2	I282 Q313	L280-I282 WeakPolarHBondContact O-CG1 3.43Å; L280-I282 PolarHBondContact O-N 2.71Å; L280-Q313 HydrophobicContact CD1-CB 3.74Å; L280-Q313 HydrophobicContact CD1-CG 3.63Å
281	D	73.6	Confident	74.4	Confident	35 Å²	35	41.1 Å²	41.1	19%	0.187	23%	0.225	C	C	.	.			trans	-70.4	92.5	173.3	-168.7	-17.5	0	0	0	111	P232 R236 D283 R284 L285	P232-D281 HydrophobicContact CB-CB 4.35Å; P232-D281 HydrophobicContact CG-CB 4.14Å; R236-D281 IonicContact CZ-OD1 3.55Å; R236-D281 IonicContact CZ-OD2 2.84Å; R236-D281 IonicContact NH1-OD1 2.63Å; R236-D281 IonicContact NH1-OD2 3.83Å; R236-D281 PolarHBondContact NH1-OD2 2.94Å; R236-D281 IonicContact NH2-OD1 3.81Å; R236-D281 PolarHBondContact NH2-OD1 3.38Å; R236-D281 IonicContact NH2-OD2 2.9Å; D281-D283 PolarHBondContact O-N 3.43Å; D281-D283 PolarHBondContact OD1-N 2.98Å; D281-R284 HydrophobicContact CB-CB 4.03Å; D281-R284 PolarHBondContact O-N 2.92Å; D281-R284 PolarHBondContact OD1-N 3.41Å; D281-L285 WeakPolarHBondContact O-CB 3.41Å; D281-L285 PolarHBondContact O-N 2.61Å
282	I	71.9	Confident	72.7	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.046	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-38.9	-176.9	-51.7	179.5	0	0	0	110.9	F279 L280 R284 L285 L286 T317 L503 V507	F279-I282 HydrophobicContact CD1-CD1 3.94Å; F279-I282 HydrophobicContact CE1-CD1 4.45Å; L280-I282 WeakPolarHBondContact O-CG1 3.43Å; L280-I282 PolarHBondContact O-N 2.71Å; I282-R284 PolarHBondContact O-N 2.91Å; I282-L285 WeakPolarHBondContact O-CB 3.44Å; I282-L285 PolarHBondContact O-N 3.45Å; I282-L286 HydrophobicContact CG2-CD1 3.84Å; I282-L286 HydrophobicContact CG2-CG 4.14Å; I282-L286 WeakPolarHBondContact O-CB 3.4Å; I282-L286 VanDerWaalsContact O-CG 3.28Å; I282-L286 WeakPolarHBondContact O-CG 3.46Å; I282-L286 PolarHBondContact O-N 3.28Å; I282-T317 HydrophobicContact CD1-CG2 3.98Å; I282-T317 HydrophobicContact CG1-CG2 4.13Å; I282-L503 HydrophobicContact CD1-CD2 4.4Å; I282-L503 HydrophobicContact CD1-CG 4.15Å; I282-V507 HydrophobicContact CD1-CB 4.18Å; I282-V507 HydrophobicContact CD1-CG1 4.4Å; I282-V507 HydrophobicContact CD1-CG2 4.04Å
283	D	60.6	Low	70.8	Confident	54 Å²	54	47.9 Å²	47.9	29%	0.289	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-44.2	179.1	-65.3	-42.6	0	0	0	111.6	R236 D281 L285 L286 S287 S504	R236-D283 IonicContact CZ-OD2 3.68Å; R236-D283 IonicContact NH2-OD2 2.88Å; R236-D283 PolarHBondContact NH2-OD2 3.43Å; D281-D283 PolarHBondContact O-N 3.43Å; D281-D283 PolarHBondContact OD1-N 2.98Å; D283-L285 VanDerWaalsContact C-N 3.34Å; D283-L286 PolarHBondContact O-N 2.95Å; D283-S287 VanDerWaalsContact O-CB 3.31Å; D283-S287 WeakPolarHBondContact O-CB 3.02Å; D283-S287 PolarHBondContact O-N 2.88Å; D283-S504 WeakPolarHBondContact OD1-CB 3.03Å; D283-S504 PolarHBondContact OD1-OG 3.45Å
284	R	64.3	Low	68.6	Low	181 Å²	181	52.2 Å²	52.2	68%	0.683	28%	0.275	S	S	*	.	H	α-helix	trans	-64	-43	176.1	-176.1	177.3	177.5	179	0.1	110.7	D281 I282 S287 V288	D281-R284 HydrophobicContact CB-CB 4.03Å; D281-R284 PolarHBondContact O-N 2.92Å; D281-R284 PolarHBondContact OD1-N 3.41Å; I282-R284 PolarHBondContact O-N 2.91Å; R284-S287 WeakPolarHBondContact O-CB 3.46Å; R284-S287 PolarHBondContact O-N 3.19Å; R284-V288 WeakPolarHBondContact O-CG2 3.46Å; R284-V288 PolarHBondContact O-N 3.41Å; R284-V288 VanDerWaalsContact O-N 3.15Å
285	L	65.8	Low	66.4	Low	7 Å²	7	56.3 Å²	56.3	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-59.8	-51	176.9	179.1	62.6	0	0	0	111.1	D281 I282 D283 S287 V288 L289 H310 Q313 L314	D281-L285 WeakPolarHBondContact O-CB 3.41Å; D281-L285 PolarHBondContact O-N 2.61Å; I282-L285 WeakPolarHBondContact O-CB 3.44Å; I282-L285 PolarHBondContact O-N 3.45Å; D283-L285 VanDerWaalsContact C-N 3.34Å; L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 3.21Å; L285-V288 PolarHBondContact O-N 2.86Å; L285-V288 VanDerWaalsContact O-N 3.11Å; L285-L289 HydrophobicContact CD1-CD1 3.99Å; L285-L289 HydrophobicContact CD1-CG 4.11Å; L285-L289 HydrophobicContact CD2-CD1 4.43Å; L285-L289 HydrophobicContact CG-CD1 3.76Å; L285-L289 HydrophobicContact CG-CG 4.3Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.41Å; L285-H310 HydrophobicContact CD1-CB 3.71Å; L285-H310 WeakPolarHBondContact CD1-O 3.35Å; L285-Q313 HydrophobicContact CD1-CB 4.04Å; L285-Q313 HydrophobicContact CD2-CB 4.26Å; L285-L314 HydrophobicContact CD2-CB 4.11Å; L285-L314 HydrophobicContact CD2-CD1 4.3Å
286	L	60.9	Low	64.5	Low	2 Å²	2	64.1 Å²	64.1	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-43.5	178.2	-73.4	170.1	0	0	0	112.4	I282 D283 V288 L289 V290 I497 L500 Y501	I282-L286 HydrophobicContact CG2-CD1 3.84Å; I282-L286 HydrophobicContact CG2-CG 4.14Å; I282-L286 WeakPolarHBondContact O-CB 3.4Å; I282-L286 VanDerWaalsContact O-CG 3.28Å; I282-L286 WeakPolarHBondContact O-CG 3.46Å; I282-L286 PolarHBondContact O-N 3.28Å; D283-L286 PolarHBondContact O-N 2.95Å; L286-V288 VanDerWaalsContact C-N 3.27Å; L286-V288 PolarHBondContact O-N 3.35Å; L286-L289 PolarHBondContact O-N 3.28Å; L286-V290 WeakPolarHBondContact O-CB 3.42Å; L286-V290 VanDerWaalsContact O-CG2 3.29Å; L286-V290 WeakPolarHBondContact O-CG2 3.49Å; L286-V290 PolarHBondContact O-N 2.93Å; L286-I497 HydrophobicContact CD2-CD1 4.4Å; L286-I497 HydrophobicContact CD2-CG1 4.05Å; L286-L500 HydrophobicContact CD1-CB 4.19Å; L286-L500 HydrophobicContact CD2-CB 3.42Å; L286-L500 VanDerWaalsContact CD2-CB 3.42Å; L286-L500 HydrophobicContact CD2-CD1 3.73Å; L286-L500 HydrophobicContact CD2-CG 4.22Å; L286-L500 HydrophobicContact CG-CB 4.33Å; L286-Y501 HydrophobicContact CB-CE1 4.16Å; L286-Y501 HydrophobicContact CD1-CD1 3.76Å; L286-Y501 HydrophobicContact CD1-CE1 3.9Å; L286-Y501 HydrophobicContact CD1-CG 4.19Å
287	S	56.6	Low	62.1	Low	20 Å²	20	68 Å²	68	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-53.1	-47.3	174.6	152.8	0	0	0	0	111.7	R55 D283 R284 L285 Q291	R55-S287 PolarHBondContact NH1-OG 3.49Å; D283-S287 VanDerWaalsContact O-CB 3.31Å; D283-S287 WeakPolarHBondContact O-CB 3.02Å; D283-S287 PolarHBondContact O-N 2.88Å; R284-S287 WeakPolarHBondContact O-CB 3.46Å; R284-S287 PolarHBondContact O-N 3.19Å; L285-S287 VanDerWaalsContact C-N 3.33Å; L285-S287 PolarHBondContact O-N 3.21Å; S287-Q291 WeakPolarHBondContact O-CG 3.49Å; S287-Q291 PolarHBondContact O-N 3.27Å
288	V	58.3	Low	60.1	Low	38 Å²	38	73.2 Å²	73.2	23%	0.23	37%	0.369	C	S	.	.	H	α-helix	trans	-76.5	-34.9	-176.4	-178.2	0	0	0	0	111.7	R284 L285 L286 V290 Q291 H310	R284-V288 WeakPolarHBondContact O-CG2 3.46Å; R284-V288 PolarHBondContact O-N 3.41Å; R284-V288 VanDerWaalsContact O-N 3.15Å; L285-V288 PolarHBondContact O-N 2.86Å; L285-V288 VanDerWaalsContact O-N 3.11Å; L286-V288 VanDerWaalsContact C-N 3.27Å; L286-V288 PolarHBondContact O-N 3.35Å; V288-V290 VanDerWaalsContact C-N 3.33Å; V288-V290 PolarHBondContact O-N 2.89Å; V288-Q291 PolarHBondContact O-N 3.33Å; V288-H310 WeakPolarHBondContact CG1-CD2 3.5Å; V288-H310 WeakPolarHBondContact CG1-NE2 3.48Å
289	L	58.8	Low	58.2	Low	10 Å²	10	73.9 Å²	73.9	5%	0.052	37%	0.372	C	S	.	.	H	α-helix	trans	-65.4	-33.4	176.8	-69.7	172.2	0	0	0	113	L285 L286 H310 L314 L490 H494	L285-L289 HydrophobicContact CD1-CD1 3.99Å; L285-L289 HydrophobicContact CD1-CG 4.11Å; L285-L289 HydrophobicContact CD2-CD1 4.43Å; L285-L289 HydrophobicContact CG-CD1 3.76Å; L285-L289 HydrophobicContact CG-CG 4.3Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 3.41Å; L286-L289 PolarHBondContact O-N 3.28Å; L289-H310 HydrophobicContact CD2-CB 4.02Å; L289-L314 HydrophobicContact CD1-CB 4.39Å; L289-L314 HydrophobicContact CD1-CD1 4.32Å; L289-L314 HydrophobicContact CD1-CD2 3.95Å; L289-L314 HydrophobicContact CD1-CG 4.45Å; L289-L490 HydrophobicContact CD2-CD2 3.68Å; L289-H494 PolarHBondContact O-NE2 3.05Å
290	V	54.6	Low	56.7	Low	64 Å²	64	75.2 Å²	75.2	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-80.7	-24	177.8	174.8	0	0	0	0	112.2	L286 V288 I292 I497	L286-V290 WeakPolarHBondContact O-CB 3.42Å; L286-V290 VanDerWaalsContact O-CG2 3.29Å; L286-V290 WeakPolarHBondContact O-CG2 3.49Å; L286-V290 PolarHBondContact O-N 2.93Å; V288-V290 VanDerWaalsContact C-N 3.33Å; V288-V290 PolarHBondContact O-N 2.89Å; V290-I292 PolarHBondContact O-N 2.83Å; V290-I292 VanDerWaalsContact O-N 3.09Å; V290-I497 HydrophobicContact CG2-CD1 3.52Å; V290-I497 HydrophobicContact CG2-CG1 4.37Å
291	Q	50.9	Low	55.5	Low	103 Å²	103	75 Å²	75	48%	0.481	39%	0.389	S	S	.	.			trans	-74.8	101.7	-179.8	-78.4	172.7	4.7	0	0	111.3	S287 V288 P293	S287-Q291 WeakPolarHBondContact O-CG 3.49Å; S287-Q291 PolarHBondContact O-N 3.27Å; V288-Q291 PolarHBondContact O-N 3.33Å; Q291-P293 VanDerWaalsContact O-CD 3.24Å; Q291-P293 WeakPolarHBondContact O-CD 3.1Å
292	I	56.2	Low	54.9	Low	101 Å²	101	79.2 Å²	79.2	52%	0.518	41%	0.408	S	S	.	.			trans	-89.6	108.2	173	-54.4	171.5	0	0	0	109	K107 V290	K107-I292 PolarHBondContact NZ-O 3.48Å; V290-I292 PolarHBondContact O-N 2.83Å; V290-I292 VanDerWaalsContact O-N 3.09Å
293	P	51.3	Low	54.4	Low	66 Å²	66	80.7 Å²	80.7	43%	0.429	42%	0.421	S	S	.	.			trans	-63.9	140.7	173.7	25.1	-31	0	0	0	110.5	Q291	Q291-P293 VanDerWaalsContact O-CD 3.24Å; Q291-P293 WeakPolarHBondContact O-CD 3.1Å
294	K	43.6	Very low	54.6	Low	130 Å²	130	78.2 Å²	78.2	57%	0.565	41%	0.408	S	S	*	.	S	Bend	trans	-91.4	-8.4	-169.5	-126.4	175.9	-176.6	178.5	0	114.3	K105 K107	K105-K294 PolarHBondContact O-NZ 2.83Å; K107-K294 HydrophobicContact CD-CD 4.13Å
295	Q	44.5	Very low	54.7	Low	161 Å²	161	72.7 Å²	72.7	75%	0.752	39%	0.39	S	S	*	.	S	Bend	trans	-147.3	143.9	-179.1	-82.9	177	-24.8	0	0	111	T297	Q295-T297 HydrophobicContact CB-CG2 4.4Å; Q295-T297 PolarHBondContact O-N 3.01Å
296	E	49.5	Very low	54.9	Low	171 Å²	171	74.8 Å²	74.8	80%	0.799	41%	0.406	S	S	*	.			trans	-64.3	72.4	163	-67.2	177.4	157.3	0	0	109.4
297	T	41.3	Very low	55.4	Low	81 Å²	81	75.7 Å²	75.7	50%	0.497	41%	0.41	S	S	.	.			trans	-70.1	153.3	170.2	48.9	0	0	0	0	109.7	Q295 H299 A300	Q295-T297 HydrophobicContact CB-CG2 4.4Å; Q295-T297 PolarHBondContact O-N 3.01Å; T297-H299 CarbonylContact O-C 3.43Å; T297-H299 PolarHBondContact O-N 3.13Å; T297-A300 PolarHBondContact O-N 3.32Å
298	V	44.2	Very low	56.3	Low	149 Å²	149	74.8 Å²	74.8	90%	0.903	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.9	-17.1	178.9	-177	0	0	0	0	115.5
299	H	49.4	Very low	57.2	Low	116 Å²	116	74.4 Å²	74.4	54%	0.537	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	17.3	172.3	-62.9	-79.3	0	0	0	115.2	T297 A301 Q302 A303	T297-H299 CarbonylContact O-C 3.43Å; T297-H299 PolarHBondContact O-N 3.13Å; H299-A301 PolarHBondContact O-N 3.23Å; H299-A301 VanDerWaalsContact O-N 3.12Å; H299-Q302 PolarHBondContact ND1-OE1 2.86Å; H299-Q302 PolarHBondContact O-N 2.92Å; H299-A303 PolarHBondContact O-N 2.85Å
300	A	53.9	Low	58.1	Low	39 Å²	39	75.1 Å²	75.1	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-51.9	-37.7	-176.1	0	0	0	0	0	113.2	T297 A304	T297-A300 PolarHBondContact O-N 3.32Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.42Å
301	A	55.5	Low	59.4	Low	37 Å²	37	72.1 Å²	72.1	31%	0.306	39%	0.386	S	S	.	.	H	α-helix	trans	-66.2	-40.6	176.8	0	0	0	0	0	113.2	H299 A304 E305 R476	H299-A301 PolarHBondContact O-N 3.23Å; H299-A301 VanDerWaalsContact O-N 3.12Å; A301-A304 PolarHBondContact O-N 3.23Å; A301-E305 WeakPolarHBondContact O-CB 3.46Å; A301-E305 PolarHBondContact O-N 2.83Å; A301-R476 HydrophobicContact CB-CG 4.4Å
302	Q	61	Low	60.8	Low	124 Å²	124	68 Å²	68	58%	0.579	37%	0.367	S	S	*	.	H	α-helix	trans	-72.9	-37.9	177.7	-70.3	174.9	-24	0	0	111.6	H299 E305 S306	H299-Q302 PolarHBondContact ND1-OE1 2.86Å; H299-Q302 PolarHBondContact O-N 2.92Å; Q302-E305 PolarHBondContact O-N 2.93Å; Q302-S306 WeakPolarHBondContact O-CB 3.3Å; Q302-S306 PolarHBondContact O-N 2.75Å
303	A	60.7	Low	62.1	Low	40 Å²	40	64.9 Å²	64.9	33%	0.331	35%	0.35	S	S	.	.	H	α-helix	trans	-65	-40.3	173.9	0	0	0	0	0	111.6	H299 S306 K307	H299-A303 PolarHBondContact O-N 2.85Å; A303-S306 PolarHBondContact O-N 2.85Å; A303-K307 WeakPolarHBondContact O-CG 3.2Å; A303-K307 PolarHBondContact O-N 2.94Å; A303-K307 VanDerWaalsContact O-N 3.07Å
304	A	64.7	Low	63.6	Low	2 Å²	2	61.9 Å²	61.9	2%	0.017	33%	0.33	C	S	.	.	H	α-helix	trans	-60.3	-48.8	173.4	0	0	0	0	0	111.9	A300 A301 S306 K307 I308 F479 Y483	A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.42Å; A301-A304 PolarHBondContact O-N 3.23Å; A304-S306 VanDerWaalsContact C-N 3.32Å; A304-S306 PolarHBondContact O-N 2.85Å; A304-K307 PolarHBondContact O-N 3.38Å; A304-I308 WeakPolarHBondContact O-CD1 3.17Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 2.95Å; A304-F479 HydrophobicContact CB-CB 4.41Å; A304-Y483 HydrophobicContact CB-CD2 3.95Å; A304-Y483 HydrophobicContact CB-CG 3.99Å
305	E	68	Low	65.7	Low	65 Å²	65	56 Å²	56	30%	0.304	31%	0.305	S	S	.	.	H	α-helix	trans	-59.8	-41.5	178.3	-161.5	-174.4	164.5	0	0	112.6	A301 Q302 T309 K376	A301-E305 WeakPolarHBondContact O-CB 3.46Å; A301-E305 PolarHBondContact O-N 2.83Å; Q302-E305 PolarHBondContact O-N 2.93Å; E305-T309 PolarHBondContact O-N 3.11Å; E305-T309 VanDerWaalsContact O-N 3.16Å; E305-T309 PolarHBondContact O-OG1 3.35Å; E305-K376 HydrophobicContact CG-CD 3.61Å; E305-K376 IonicContact OE1-NZ 3.03Å; E305-K376 PolarHBondContact OE1-NZ 3.28Å
306	S	69	Low	67.7	Low	51 Å²	51	51 Å²	51	36%	0.357	28%	0.281	S	S	.	.	H	α-helix	trans	-64.1	-45.6	176.7	-165.3	0	0	0	0	111.4	Q302 A303 A304 T309 H310	Q302-S306 WeakPolarHBondContact O-CB 3.3Å; Q302-S306 PolarHBondContact O-N 2.75Å; A303-S306 PolarHBondContact O-N 2.85Å; A304-S306 VanDerWaalsContact C-N 3.32Å; A304-S306 PolarHBondContact O-N 2.85Å; S306-T309 WeakPolarHBondContact O-CB 3.28Å; S306-T309 PolarHBondContact O-N 3.18Å; S306-H310 PolarHBondContact O-CD2 3.29Å; S306-H310 VanDerWaalsContact O-CG 3.29Å; S306-H310 PolarHBondContact O-N 3.32Å; S306-H310 PolarHBondContact O-NE2 3.49Å; S306-H310 PolarHBondContact OG-NE2 3.39Å
307	K	71.4	Confident	69.5	Low	22 Å²	22	42.9 Å²	42.9	10%	0.096	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-40.3	180	-71.6	-155.1	-165.7	169.4	0	113.2	A303 A304 T309 H310 V311 Y483 L490	A303-K307 WeakPolarHBondContact O-CG 3.2Å; A303-K307 PolarHBondContact O-N 2.94Å; A303-K307 VanDerWaalsContact O-N 3.07Å; A304-K307 PolarHBondContact O-N 3.38Å; K307-T309 VanDerWaalsContact C-N 3.25Å; K307-T309 PolarHBondContact O-N 3.02Å; K307-H310 PolarHBondContact O-N 2.92Å; K307-V311 PolarHBondContact O-N 3.39Å; K307-Y483 HydrophobicContact CB-CD2 4.42Å; K307-Y483 HydrophobicContact CD-CD2 4.12Å; K307-Y483 HydrophobicContact CD-CE2 3.52Å; K307-Y483 HydrophobicContact CG-CE2 4.21Å; K307-Y483 PolarHBondContact NZ-OH 3.41Å; K307-L490 HydrophobicContact CD-CD1 4.19Å
308	I	75.3	Confident	71.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-56.4	-46.4	172.8	-64.8	157.6	0	0	0	109.8	A304 H310 V311 I312 K376 A379 F479 I486	A304-I308 WeakPolarHBondContact O-CD1 3.17Å; A304-I308 WeakPolarHBondContact O-CG1 3.39Å; A304-I308 PolarHBondContact O-N 2.95Å; I308-H310 VanDerWaalsContact C-N 3.33Å; I308-H310 PolarHBondContact O-N 3.02Å; I308-V311 PolarHBondContact O-N 3.4Å; I308-I312 HydrophobicContact CG2-CD1 3.98Å; I308-I312 WeakPolarHBondContact O-CG1 3.4Å; I308-I312 PolarHBondContact O-N 3.32Å; I308-I312 VanDerWaalsContact O-N 3.1Å; I308-K376 HydrophobicContact CG2-CG 4.49Å; I308-A379 HydrophobicContact CG2-CB 3.64Å; I308-F479 HydrophobicContact CD1-CD1 4.1Å; I308-I486 HydrophobicContact CB-CD1 4.01Å; I308-I486 HydrophobicContact CD1-CD1 4.49Å; I308-I486 HydrophobicContact CG1-CD1 3.31Å; I308-I486 HydrophobicContact CG2-CD1 4.27Å
309	T	78.3	Confident	73.8	Confident	29 Å²	29	34.9 Å²	34.9	18%	0.178	19%	0.192	C	C	.	.	H	α-helix	trans	-61.2	-42.1	178.4	-52.6	0	0	0	0	111.5	E305 S306 K307 I312 Q313 K376	E305-T309 PolarHBondContact O-N 3.11Å; E305-T309 VanDerWaalsContact O-N 3.16Å; E305-T309 PolarHBondContact O-OG1 3.35Å; S306-T309 WeakPolarHBondContact O-CB 3.28Å; S306-T309 PolarHBondContact O-N 3.18Å; K307-T309 VanDerWaalsContact C-N 3.25Å; K307-T309 PolarHBondContact O-N 3.02Å; T309-I312 PolarHBondContact O-N 3.17Å; T309-Q313 VanDerWaalsContact O-CG 3.29Å; T309-Q313 WeakPolarHBondContact O-CG 3.07Å; T309-Q313 PolarHBondContact O-N 2.9Å; T309-K376 WeakPolarHBondContact OG1-CE 3.34Å
310	H	76.7	Confident	75.7	Confident	26 Å²	26	29.9 Å²	29.9	12%	0.12	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-37.4	178.5	-65.5	-44.5	0	0	0	113.3	L285 V288 L289 S306 K307 I308 I312 Q313 L314	L285-H310 HydrophobicContact CD1-CB 3.71Å; L285-H310 WeakPolarHBondContact CD1-O 3.35Å; V288-H310 WeakPolarHBondContact CG1-CD2 3.5Å; V288-H310 WeakPolarHBondContact CG1-NE2 3.48Å; L289-H310 HydrophobicContact CD2-CB 4.02Å; S306-H310 PolarHBondContact O-CD2 3.29Å; S306-H310 VanDerWaalsContact O-CG 3.29Å; S306-H310 PolarHBondContact O-N 3.32Å; S306-H310 PolarHBondContact O-NE2 3.49Å; S306-H310 PolarHBondContact OG-NE2 3.39Å; K307-H310 PolarHBondContact O-N 2.92Å; I308-H310 VanDerWaalsContact C-N 3.33Å; I308-H310 PolarHBondContact O-N 3.02Å; H310-I312 VanDerWaalsContact C-N 3.33Å; H310-Q313 PolarHBondContact ND1-OE1 2.76Å; H310-Q313 WeakPolarHBondContact O-CB 3.43Å; H310-Q313 PolarHBondContact O-N 3.01Å; H310-L314 WeakPolarHBondContact O-CB 3.22Å; H310-L314 PolarHBondContact O-N 2.99Å
311	V	81	Confident	77.5	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-66.5	-37.8	174.3	175.6	0	0	0	0	111.4	K307 I308 Q313 L314 K315 I355 V359 I486 L489 L490	K307-V311 PolarHBondContact O-N 3.39Å; I308-V311 PolarHBondContact O-N 3.4Å; V311-Q313 VanDerWaalsContact C-N 3.32Å; V311-Q313 PolarHBondContact O-N 3.39Å; V311-L314 PolarHBondContact O-N 3.3Å; V311-K315 PolarHBondContact O-N 3.03Å; V311-I355 HydrophobicContact CG1-CG2 4.27Å; V311-V359 HydrophobicContact CG1-CG2 4Å; V311-I486 HydrophobicContact CG2-CG2 3.71Å; V311-L489 HydrophobicContact CG1-CD2 4.18Å; V311-L490 HydrophobicContact CG2-CD2 3.95Å; V311-L490 HydrophobicContact CG2-CG 4.29Å
312	I	81.8	Confident	79.1	Confident	16 Å²	16	29.3 Å²	29.3	8%	0.082	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-40.7	173.1	-64.6	165.4	0	0	0	110.7	I308 T309 H310 K315 H316 A379	I308-I312 HydrophobicContact CG2-CD1 3.98Å; I308-I312 WeakPolarHBondContact O-CG1 3.4Å; I308-I312 PolarHBondContact O-N 3.32Å; I308-I312 VanDerWaalsContact O-N 3.1Å; T309-I312 PolarHBondContact O-N 3.17Å; H310-I312 VanDerWaalsContact C-N 3.33Å; I312-K315 WeakPolarHBondContact O-CB 3.46Å; I312-K315 PolarHBondContact O-N 3.05Å; I312-H316 PolarHBondContact O-N 3.45Å; I312-A379 HydrophobicContact CD1-CB 4.35Å
313	Q	82.6	Confident	80.5	Confident	35 Å²	35	28.5 Å²	28.5	16%	0.164	16%	0.155	C	C	.	.	H	α-helix	trans	-63.5	-40.7	174.4	-70.9	174.2	-27.6	0	0	111.9	L280 L285 T309 H310 V311 H316 T317 Y365	L280-Q313 HydrophobicContact CD1-CB 3.74Å; L280-Q313 HydrophobicContact CD1-CG 3.63Å; L285-Q313 HydrophobicContact CD1-CB 4.04Å; L285-Q313 HydrophobicContact CD2-CB 4.26Å; T309-Q313 VanDerWaalsContact O-CG 3.29Å; T309-Q313 WeakPolarHBondContact O-CG 3.07Å; T309-Q313 PolarHBondContact O-N 2.9Å; H310-Q313 PolarHBondContact ND1-OE1 2.76Å; H310-Q313 WeakPolarHBondContact O-CB 3.43Å; H310-Q313 PolarHBondContact O-N 3.01Å; V311-Q313 VanDerWaalsContact C-N 3.32Å; V311-Q313 PolarHBondContact O-N 3.39Å; Q313-H316 PolarHBondContact O-N 3.27Å; Q313-T317 PolarHBondContact O-N 2.85Å; Q313-T317 PolarHBondContact O-OG1 2.97Å; Q313-Y365 HydrophobicContact CG-CD2 4.33Å; Q313-Y365 HydrophobicContact CG-CE2 4.48Å
314	L	83.9	Confident	81.9	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.016	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-44.4	175.8	-179.6	62.5	0	0	0	111.6	L285 L289 H310 V311 H316 T317 L318 I355 I493 L500	L285-L314 HydrophobicContact CD2-CB 4.11Å; L285-L314 HydrophobicContact CD2-CD1 4.3Å; L289-L314 HydrophobicContact CD1-CB 4.39Å; L289-L314 HydrophobicContact CD1-CD1 4.32Å; L289-L314 HydrophobicContact CD1-CD2 3.95Å; L289-L314 HydrophobicContact CD1-CG 4.45Å; H310-L314 WeakPolarHBondContact O-CB 3.22Å; H310-L314 PolarHBondContact O-N 2.99Å; V311-L314 PolarHBondContact O-N 3.3Å; L314-H316 VanDerWaalsContact C-N 3.33Å; L314-H316 PolarHBondContact O-N 2.98Å; L314-T317 PolarHBondContact O-N 3.26Å; L314-L318 HydrophobicContact CD1-CD1 4.12Å; L314-L318 HydrophobicContact CD1-CG 4.29Å; L314-L318 HydrophobicContact CG-CD1 4.01Å; L314-L318 WeakPolarHBondContact O-CB 3.26Å; L314-L318 WeakPolarHBondContact O-CG 3.31Å; L314-L318 PolarHBondContact O-N 2.84Å; L314-I355 HydrophobicContact CD2-CD1 3.81Å; L314-I355 HydrophobicContact CG-CD1 3.94Å; L314-I493 HydrophobicContact CD2-CD1 4.24Å; L314-I493 HydrophobicContact CD2-CG2 4.26Å; L314-L500 HydrophobicContact CD1-CD1 3.77Å; L314-L500 HydrophobicContact CD1-CD2 4.2Å
315	K	86.5	Confident	83.1	Confident	8 Å²	8	29.7 Å²	29.7	4%	0.035	15%	0.151	C	C	.	.	H	α-helix	trans	-54	-51.8	173.1	-172.6	-170.9	166.2	-164.5	0	110.5	V311 I312 T317 L318 D319 L352 I355 V359 N360 Y361 T363	V311-K315 PolarHBondContact O-N 3.03Å; I312-K315 WeakPolarHBondContact O-CB 3.46Å; I312-K315 PolarHBondContact O-N 3.05Å; K315-T317 PolarHBondContact O-N 3.5Å; K315-L318 PolarHBondContact O-N 2.81Å; K315-D319 PolarHBondContact O-N 3.02Å; K315-L352 HydrophobicContact CG-CD1 4.39Å; K315-I355 HydrophobicContact CB-CG2 3.83Å; K315-I355 HydrophobicContact CD-CG2 4.25Å; K315-I355 HydrophobicContact CG-CG2 3.92Å; K315-V359 HydrophobicContact CD-CG1 4.29Å; K315-N360 PolarHBondContact NZ-O 3.4Å; K315-Y361 PolarHBondContact NZ-O 2.98Å; K315-T363 PolarHBondContact NZ-O 3.46Å
316	H	86.7	Confident	84.1	Confident	55 Å²	55	31.8 Å²	31.8	26%	0.255	16%	0.161	S	C	.	.	H	α-helix	trans	-58.5	-45.6	178.7	178.1	77.1	0	0	0	112.2	H278 I312 Q313 L314 L318 D319 L320	H278-H316 PolarHBondContact O-NE2 3.26Å; I312-H316 PolarHBondContact O-N 3.45Å; Q313-H316 PolarHBondContact O-N 3.27Å; L314-H316 VanDerWaalsContact C-N 3.33Å; L314-H316 PolarHBondContact O-N 2.98Å; H316-L318 VanDerWaalsContact C-N 3.33Å; H316-L318 PolarHBondContact O-N 2.79Å; H316-D319 PolarHBondContact O-N 2.78Å; H316-L320 WeakPolarHBondContact O-CG 3.37Å; H316-L320 PolarHBondContact O-N 2.99Å
317	T	87	Confident	85.1	Confident	1 Å²	1	31 Å²	31	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-41.6	176	-64.2	0	0	0	0	112.2	F279 I282 Q313 L314 K315 L320 L503	F279-T317 HydrophobicContact CD1-CG2 3.96Å; F279-T317 HydrophobicContact CE1-CG2 3.99Å; I282-T317 HydrophobicContact CD1-CG2 3.98Å; I282-T317 HydrophobicContact CG1-CG2 4.13Å; Q313-T317 PolarHBondContact O-N 2.85Å; Q313-T317 PolarHBondContact O-OG1 2.97Å; L314-T317 PolarHBondContact O-N 3.26Å; K315-T317 PolarHBondContact O-N 3.5Å; T317-L320 PolarHBondContact O-N 3.01Å; T317-L503 HydrophobicContact CG2-CD2 4.06Å
318	L	88.5	Confident	85.9	Confident	3 Å²	3	30 Å²	30	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-73	-35.5	179.9	-71.7	170.9	0	0	0	113	L314 K315 H316 L320 V321 P322 F348 I351 L352 I355 L500	L314-L318 HydrophobicContact CD1-CD1 4.12Å; L314-L318 HydrophobicContact CD1-CG 4.29Å; L314-L318 HydrophobicContact CG-CD1 4.01Å; L314-L318 WeakPolarHBondContact O-CB 3.26Å; L314-L318 WeakPolarHBondContact O-CG 3.31Å; L314-L318 PolarHBondContact O-N 2.84Å; K315-L318 PolarHBondContact O-N 2.81Å; H316-L318 VanDerWaalsContact C-N 3.33Å; H316-L318 PolarHBondContact O-N 2.79Å; L318-L320 PolarHBondContact O-N 2.8Å; L318-V321 HydrophobicContact CD2-CG2 4.48Å; L318-V321 PolarHBondContact O-N 2.83Å; L318-V321 VanDerWaalsContact O-N 3.15Å; L318-P322 VanDerWaalsContact O-CD 3.26Å; L318-P322 WeakPolarHBondContact O-CD 3.31Å; L318-F348 HydrophobicContact CD2-CB 4.25Å; L318-F348 HydrophobicContact CD2-CD1 3.85Å; L318-F348 HydrophobicContact CD2-CG 4.48Å; L318-I351 HydrophobicContact CD1-CB 4.09Å; L318-I351 HydrophobicContact CD1-CG2 3.46Å; L318-I351 VanDerWaalsContact CD1-CG2 3.46Å; L318-L352 HydrophobicContact CB-CB 4.35Å; L318-L352 HydrophobicContact CB-CD1 3.91Å; L318-L352 HydrophobicContact CD1-CB 4.49Å; L318-I355 HydrophobicContact CD1-CD1 3.86Å; L318-L500 HydrophobicContact CD2-CD2 3.92Å
319	D	89	Confident	86.4	Confident	58 Å²	58	34.9 Å²	34.9	31%	0.31	17%	0.171	S	C	.	.	H	α-helix	trans	-63.7	-21.5	174.4	-78.9	-40.1	0	0	0	112.2	K315 H316 K356	K315-D319 PolarHBondContact O-N 3.02Å; H316-D319 PolarHBondContact O-N 2.78Å; D319-K356 VanDerWaalsContact OD1-CE 3.28Å; D319-K356 WeakPolarHBondContact OD1-CE 3.34Å; D319-K356 IonicContact OD1-NZ 3.96Å; D319-K356 PolarHBondContact OD1-NZ 3.37Å
320	L	89.2	Confident	86.6	Confident	12 Å²	12	37.7 Å²	37.7	6%	0.063	19%	0.188	C	C	.	.	H	α-helix	trans	-85	-19.8	175.4	-65.8	172.9	0	0	0	114	H278 F279 H316 T317 L318 Q323 L324	H278-L320 HydrophobicContact CB-CD1 3.68Å; H278-L320 HydrophobicContact CB-CD2 4.01Å; H278-L320 WeakPolarHBondContact O-CD1 3.32Å; F279-L320 HydrophobicContact CD2-CD1 4.06Å; F279-L320 HydrophobicContact CE1-CB 4.17Å; F279-L320 HydrophobicContact CE2-CB 3.84Å; F279-L320 HydrophobicContact CE2-CD1 4.2Å; F279-L320 HydrophobicContact CG-CD1 4.25Å; F279-L320 HydrophobicContact CZ-CB 3.64Å; F279-L320 HydrophobicContact CZ-CD1 4.48Å; H316-L320 WeakPolarHBondContact O-CG 3.37Å; H316-L320 PolarHBondContact O-N 2.99Å; T317-L320 PolarHBondContact O-N 3.01Å; L318-L320 PolarHBondContact O-N 2.8Å; L320-Q323 PolarHBondContact O-N 3.06Å; L320-L324 PolarHBondContact O-N 2.91Å; L320-L324 VanDerWaalsContact O-N 3.11Å
321	V	90.5	Very high	87.1	Confident	8 Å²	8	36.7 Å²	36.7	5%	0.048	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-44	-177.9	174.5	0	0	0	0	112.3	L318 Q323 L324 R325 L343 F348 L503	L318-V321 HydrophobicContact CD2-CG2 4.48Å; L318-V321 PolarHBondContact O-N 2.83Å; L318-V321 VanDerWaalsContact O-N 3.15Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 3.46Å; V321-L324 PolarHBondContact O-N 3.31Å; V321-R325 PolarHBondContact O-N 3.25Å; V321-L343 HydrophobicContact CG1-CD2 4.26Å; V321-F348 HydrophobicContact CG1-CD2 4.23Å; V321-F348 HydrophobicContact CG1-CG 4.4Å; V321-L503 HydrophobicContact CG2-CD1 3.95Å; V321-L503 HydrophobicContact CG2-CD2 3.79Å
322	P	90.2	Very high	87.4	Confident	55 Å²	55	42.1 Å²	42.1	36%	0.357	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-39.8	176.5	-25.6	35	0	0	0	113.2	L318 L324 R325 E326	L318-P322 VanDerWaalsContact O-CD 3.26Å; L318-P322 WeakPolarHBondContact O-CD 3.31Å; P322-L324 VanDerWaalsContact C-N 3.35Å; P322-L324 PolarHBondContact O-N 2.8Å; P322-R325 WeakPolarHBondContact O-CB 3.36Å; P322-R325 PolarHBondContact O-N 3.47Å; P322-E326 PolarHBondContact O-N 2.55Å
323	Q	89.4	Confident	87.8	Confident	107 Å²	107	42.5 Å²	42.5	50%	0.5	22%	0.216	S	C	.	.	H	α-helix	trans	-63.2	-43.4	177.4	-61.8	179.1	4.4	0	0	111	L320 V321 R325 E326 V327	L320-Q323 PolarHBondContact O-N 3.06Å; V321-Q323 VanDerWaalsContact C-N 3.32Å; V321-Q323 PolarHBondContact O-N 3.46Å; Q323-R325 VanDerWaalsContact C-N 3.32Å; Q323-R325 PolarHBondContact O-N 3.36Å; Q323-E326 PolarHBondContact O-N 2.78Å; Q323-V327 WeakPolarHBondContact O-CG2 3.37Å; Q323-V327 PolarHBondContact O-N 3.47Å
324	L	89.6	Confident	88.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-37.8	176.4	-174.1	62.1	0	0	0	112	L272 A275 F279 L320 V321 P322 V327 L328 L343 V507 L510	L272-L324 HydrophobicContact CD2-CD1 3.55Å; A275-L324 HydrophobicContact CB-CD1 4.29Å; F279-L324 HydrophobicContact CE2-CD2 4.3Å; F279-L324 HydrophobicContact CZ-CB 4.5Å; F279-L324 HydrophobicContact CZ-CD2 4.05Å; L320-L324 PolarHBondContact O-N 2.91Å; L320-L324 VanDerWaalsContact O-N 3.11Å; V321-L324 PolarHBondContact O-N 3.31Å; P322-L324 VanDerWaalsContact C-N 3.35Å; P322-L324 PolarHBondContact O-N 2.8Å; L324-V327 PolarHBondContact O-N 2.94Å; L324-L328 HydrophobicContact CD1-CD1 4.19Å; L324-L328 HydrophobicContact CG-CD1 4.04Å; L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 3.48Å; L324-L328 VanDerWaalsContact O-N 3.15Å; L324-L343 HydrophobicContact CD2-CD1 3.87Å; L324-L343 HydrophobicContact CD2-CD2 4.37Å; L324-L343 HydrophobicContact CG-CD1 3.9Å; L324-V507 HydrophobicContact CD2-CG2 4.15Å; L324-L510 HydrophobicContact CD1-CD1 4.44Å; L324-L510 HydrophobicContact CD2-CD1 4.39Å
325	R	89.8	Confident	88.4	Confident	68 Å²	68	45.4 Å²	45.4	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-46.7	175.4	-177	-178.6	177.4	-176.8	1.5	111.6	V321 P322 Q323 V327 L328 K329 E344	V321-R325 PolarHBondContact O-N 3.25Å; P322-R325 WeakPolarHBondContact O-CB 3.36Å; P322-R325 PolarHBondContact O-N 3.47Å; Q323-R325 VanDerWaalsContact C-N 3.32Å; Q323-R325 PolarHBondContact O-N 3.36Å; R325-V327 VanDerWaalsContact C-N 3.33Å; R325-V327 PolarHBondContact O-N 3.35Å; R325-L328 PolarHBondContact O-N 3.18Å; R325-K329 WeakPolarHBondContact O-CG 3.43Å; R325-K329 PolarHBondContact O-N 3.5Å; R325-E344 IonicContact CZ-OE1 3.77Å; R325-E344 IonicContact NE-OE1 2.82Å; R325-E344 PolarHBondContact NE-OE1 2.98Å; R325-E344 VanDerWaalsContact NE-OE1 3.16Å; R325-E344 VanDerWaalsContact NH2-CD 3.26Å; R325-E344 IonicContact NH2-OE1 3.5Å; R325-E344 PolarHBondContact NH2-OE1 3.13Å
326	E	89.4	Confident	88.6	Confident	108 Å²	108	45 Å²	45	51%	0.505	24%	0.241	S	C	.	.	H	α-helix	trans	-61	-42.2	179.3	-67.9	-51	132.1	0	0	112.1	P322 Q323 L328 K329	P322-E326 PolarHBondContact O-N 2.55Å; Q323-E326 PolarHBondContact O-N 2.78Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 3.19Å; E326-K329 PolarHBondContact O-N 3.02Å; E326-K329 WeakPolarHBondContact OE1-CE 3.32Å; E326-K329 IonicContact OE1-NZ 3.36Å; E326-K329 PolarHBondContact OE1-NZ 3.15Å; E326-K329 WeakPolarHBondContact OE2-CD 3.15Å; E326-K329 IonicContact OE2-NZ 2.81Å; E326-K329 PolarHBondContact OE2-NZ 3.44Å
327	V	89.9	Confident	88.8	Confident	35 Å²	35	47.5 Å²	47.5	21%	0.212	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-36.8	177.5	175.7	0	0	0	0	111.7	L268 L272 Q323 L324 R325 T330	L268-V327 HydrophobicContact CD1-CG1 4.02Å; L268-V327 VanDerWaalsContact CD1-O 3.28Å; L268-V327 WeakPolarHBondContact CD1-O 3.37Å; L272-V327 HydrophobicContact CD2-CB 4.44Å; L272-V327 HydrophobicContact CD2-CG1 3.72Å; L272-V327 HydrophobicContact CG-CG1 3.66Å; Q323-V327 WeakPolarHBondContact O-CG2 3.37Å; Q323-V327 PolarHBondContact O-N 3.47Å; L324-V327 PolarHBondContact O-N 2.94Å; R325-V327 VanDerWaalsContact C-N 3.33Å; R325-V327 PolarHBondContact O-N 3.35Å; V327-T330 PolarHBondContact O-OG1 2.92Å
328	L	88.3	Confident	88.8	Confident	2 Å²	2	50 Å²	50	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-83.7	-5.6	-178	-71.1	169.6	0	0	0	114.6	L272 L324 R325 E326 T330 C331 L336 L343 L510	L272-L328 HydrophobicContact CD1-CD2 4.26Å; L272-L328 HydrophobicContact CD2-CD2 3.9Å; L272-L328 HydrophobicContact CD2-CG 4.07Å; L324-L328 HydrophobicContact CD1-CD1 4.19Å; L324-L328 HydrophobicContact CG-CD1 4.04Å; L324-L328 WeakPolarHBondContact O-CG 3.33Å; L324-L328 PolarHBondContact O-N 3.48Å; L324-L328 VanDerWaalsContact O-N 3.15Å; R325-L328 PolarHBondContact O-N 3.18Å; E326-L328 VanDerWaalsContact C-N 3.3Å; E326-L328 PolarHBondContact O-N 3.19Å; L328-T330 VanDerWaalsContact C-N 3.28Å; L328-T330 PolarHBondContact O-N 3.41Å; L328-C331 WeakPolarHBondContact O-CB 3.42Å; L328-C331 PolarHBondContact O-N 3.17Å; L328-C331 PolarHBondContact O-SG 3.01Å; L328-C331 VanDerWaalsContact O-SG 3.36Å; L328-L336 HydrophobicContact CD2-CD2 4.37Å; L328-L343 HydrophobicContact CD1-CD1 3.46Å; L328-L343 VanDerWaalsContact CD1-CD1 3.46Å; L328-L510 HydrophobicContact CD1-CD1 3.86Å; L328-L510 HydrophobicContact CD2-CD2 4.32Å
329	K	85.3	Confident	88.8	Confident	103 Å²	103	51.1 Å²	51.1	45%	0.448	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-29.5	178.8	-83.5	179	-175.3	170.9	0	113.3	R325 E326 C331	R325-K329 WeakPolarHBondContact O-CG 3.43Å; R325-K329 PolarHBondContact O-N 3.5Å; E326-K329 PolarHBondContact O-N 3.02Å; E326-K329 WeakPolarHBondContact OE1-CE 3.32Å; E326-K329 IonicContact OE1-NZ 3.36Å; E326-K329 PolarHBondContact OE1-NZ 3.15Å; E326-K329 WeakPolarHBondContact OE2-CD 3.15Å; E326-K329 IonicContact OE2-NZ 2.81Å; E326-K329 PolarHBondContact OE2-NZ 3.44Å; K329-C331 VanDerWaalsContact C-N 3.26Å; K329-C331 PolarHBondContact O-N 3.14Å
330	T	83.1	Confident	88.9	Confident	88 Å²	88	49 Å²	49	54%	0.54	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.6	-177.1	52.3	0	0	0	0	113.4	V327 L328	V327-T330 PolarHBondContact O-OG1 2.92Å; L328-T330 VanDerWaalsContact C-N 3.28Å; L328-T330 PolarHBondContact O-N 3.41Å
331	C	87.1	Confident	88.8	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.034	29%	0.287	C	S	.	.			trans	-78.3	145.9	-176.4	-59.4	0	0	0	0	113.2	E261 L268 L328 K329 L336 K337	E261-C331 WeakPolarHBondContact OE1-CA 3.43Å; L268-C331 WeakPolarHBondContact CD1-SG 3.18Å; L328-C331 WeakPolarHBondContact O-CB 3.42Å; L328-C331 PolarHBondContact O-N 3.17Å; L328-C331 PolarHBondContact O-SG 3.01Å; L328-C331 VanDerWaalsContact O-SG 3.36Å; K329-C331 VanDerWaalsContact C-N 3.26Å; K329-C331 PolarHBondContact O-N 3.14Å; C331-L336 HydrophobicContact CB-CB 3.69Å; C331-L336 HydrophobicContact CB-CD1 4.19Å; C331-K337 WeakPolarHBondContact O-CE 3.46Å
332	N	87.8	Confident	88.5	Confident	115 Å²	115	53 Å²	53	62%	0.615	30%	0.297	S	S	*	.			trans	-109.8	-31.7	-176.8	-69.1	-53.5	0	0	0	113.3	E261 K337	E261-N332 WeakPolarHBondContact OE1-CB 3.38Å; E261-N332 PolarHBondContact OE1-N 3.43Å; E261-N332 PolarHBondContact OE2-N 2.97Å; N332-K337 WeakPolarHBondContact O-CD 2.91Å; N332-K337 VanDerWaalsContact O-CE 3.27Å; N332-K337 WeakPolarHBondContact O-CE 3.49Å; N332-K337 PolarHBondContact O-NZ 3.48Å
333	T	90.8	Very high	88.3	Confident	24 Å²	24	50.6 Å²	50.6	15%	0.147	28%	0.281	C	S	.	.	S	Bend	trans	-69	147.8	-177.2	53.7	0	0	0	0	113	D257 E261 L335 L336 K337	D257-T333 HydrophobicContact CB-CG2 4Å; D257-T333 WeakPolarHBondContact O-CG2 3.49Å; E261-T333 HydrophobicContact CB-CG2 3.89Å; E261-T333 WeakPolarHBondContact OE2-CB 3.38Å; E261-T333 WeakPolarHBondContact OE2-CG2 3.32Å; E261-T333 PolarHBondContact OE2-N 2.64Å; E261-T333 PolarHBondContact OE2-OG1 2.95Å; T333-L335 VanDerWaalsContact C-N 3.31Å; T333-L335 PolarHBondContact O-N 2.78Å; T333-L336 PolarHBondContact O-N 2.74Å; T333-L336 WeakPolarHBondContact OG1-CB 3.44Å; T333-L336 WeakPolarHBondContact OG1-CD1 3.44Å; T333-L336 WeakPolarHBondContact OG1-CG 3.49Å; T333-K337 WeakPolarHBondContact O-CB 3.29Å; T333-K337 WeakPolarHBondContact O-CG 3.11Å; T333-K337 PolarHBondContact O-N 3.44Å
334	A	89.6	Confident	88.2	Confident	76 Å²	76	49.4 Å²	49.4	63%	0.628	28%	0.276	S	S	*	.	H	α-helix	trans	-59.6	-40.5	-176.1	0	0	0	0	0	112.7	A338	A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 2.99Å
335	L	89.9	Confident	88	Confident	22 Å²	22	51.4 Å²	51.4	12%	0.115	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-46.3	-178.4	-177.6	146.5	0	0	0	111.9	R255 A258 T333 A338 Y339 L513	R255-L335 HydrophobicContact CG-CD1 4.36Å; A258-L335 HydrophobicContact CB-CD2 4.05Å; T333-L335 VanDerWaalsContact C-N 3.31Å; T333-L335 PolarHBondContact O-N 2.78Å; L335-A338 PolarHBondContact O-N 3.48Å; L335-Y339 HydrophobicContact CD2-CD2 3.8Å; L335-Y339 HydrophobicContact CD2-CE2 3.36Å; L335-Y339 HydrophobicContact CG-CD2 4.44Å; L335-Y339 HydrophobicContact CG-CE2 3.9Å; L335-Y339 WeakPolarHBondContact O-CD2 3.18Å; L335-Y339 PolarHBondContact O-N 2.85Å; L335-Y339 VanDerWaalsContact O-N 3.13Å; L335-L513 HydrophobicContact CD2-CD1 3.57Å
336	L	90.3	Very high	87.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-67.4	-36.1	176.6	-63.4	-177.1	0	0	0	112.1	A258 L268 L328 C331 T333 Y339 S340 L510	A258-L336 HydrophobicContact CB-CD1 4.5Å; A258-L336 HydrophobicContact CB-CD2 4.44Å; A258-L336 HydrophobicContact CB-CG 4.16Å; L268-L336 HydrophobicContact CD2-CD1 4.16Å; L328-L336 HydrophobicContact CD2-CD2 4.37Å; C331-L336 HydrophobicContact CB-CB 3.69Å; C331-L336 HydrophobicContact CB-CD1 4.19Å; T333-L336 PolarHBondContact O-N 2.74Å; T333-L336 WeakPolarHBondContact OG1-CB 3.44Å; T333-L336 WeakPolarHBondContact OG1-CD1 3.44Å; T333-L336 WeakPolarHBondContact OG1-CG 3.49Å; L336-Y339 PolarHBondContact O-N 2.98Å; L336-S340 PolarHBondContact O-N 2.73Å; L336-L510 HydrophobicContact CD2-CD2 3.47Å; L336-L510 VanDerWaalsContact CD2-CD2 3.47Å
337	K	90.3	Very high	87.5	Confident	108 Å²	108	51.7 Å²	51.7	47%	0.47	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-41.7	172.4	-79.2	176.1	172.7	160	0	112.6	C331 N332 T333 Y339 S340 A341	C331-K337 WeakPolarHBondContact O-CE 3.46Å; N332-K337 WeakPolarHBondContact O-CD 2.91Å; N332-K337 VanDerWaalsContact O-CE 3.27Å; N332-K337 WeakPolarHBondContact O-CE 3.49Å; N332-K337 PolarHBondContact O-NZ 3.48Å; T333-K337 WeakPolarHBondContact O-CB 3.29Å; T333-K337 WeakPolarHBondContact O-CG 3.11Å; T333-K337 PolarHBondContact O-N 3.44Å; K337-Y339 VanDerWaalsContact C-N 3.29Å; K337-Y339 PolarHBondContact O-N 3.32Å; K337-S340 WeakPolarHBondContact O-CB 3.06Å; K337-S340 PolarHBondContact O-N 2.84Å; K337-A341 WeakPolarHBondContact O-CB 3.38Å; K337-A341 PolarHBondContact O-N 3.1Å
338	A	87.4	Confident	87.4	Confident	52 Å²	52	50.3 Å²	50.3	43%	0.43	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-38	175.9	0	0	0	0	0	111.8	A334 L335 T342	A334-A338 WeakPolarHBondContact O-CB 3.29Å; A334-A338 PolarHBondContact O-N 2.99Å; L335-A338 PolarHBondContact O-N 3.48Å; A338-T342 PolarHBondContact O-N 3.22Å; A338-T342 PolarHBondContact O-OG1 3.23Å
339	Y	88.8	Confident	87.3	Confident	28 Å²	28	53.8 Å²	53.8	11%	0.11	30%	0.301	C	S	.	.	H	α-helix	trans	-70.2	-41	173.7	-69.1	-35.6	0	0	0	113	L335 L336 K337 A341 T342 L343 T506 M509 L510	L335-Y339 HydrophobicContact CD2-CD2 3.8Å; L335-Y339 HydrophobicContact CD2-CE2 3.36Å; L335-Y339 HydrophobicContact CG-CD2 4.44Å; L335-Y339 HydrophobicContact CG-CE2 3.9Å; L335-Y339 WeakPolarHBondContact O-CD2 3.18Å; L335-Y339 PolarHBondContact O-N 2.85Å; L335-Y339 VanDerWaalsContact O-N 3.13Å; L336-Y339 PolarHBondContact O-N 2.98Å; K337-Y339 VanDerWaalsContact C-N 3.29Å; K337-Y339 PolarHBondContact O-N 3.32Å; Y339-A341 VanDerWaalsContact C-N 3.34Å; Y339-A341 PolarHBondContact O-N 3.1Å; Y339-T342 WeakPolarHBondContact O-CB 3.34Å; Y339-T342 PolarHBondContact O-N 3.24Å; Y339-T342 VanDerWaalsContact O-N 3.14Å; Y339-L343 VanDerWaalsContact O-CG 3.29Å; Y339-L343 WeakPolarHBondContact O-CG 3.37Å; Y339-L343 PolarHBondContact O-N 3.02Å; Y339-T506 HydrophobicContact CD1-CG2 3.64Å; Y339-T506 HydrophobicContact CD2-CG2 4.42Å; Y339-T506 HydrophobicContact CE1-CG2 4.44Å; Y339-T506 HydrophobicContact CG-CG2 3.66Å; Y339-M509 HydrophobicContact CE2-CB 4Å; Y339-M509 HydrophobicContact CE2-CG 3.84Å; Y339-M509 WeakPolarHBondContact OH-CB 3.3Å; Y339-M509 VanDerWaalsContact OH-CG 3.26Å; Y339-M509 WeakPolarHBondContact OH-CG 3.49Å; Y339-L510 HydrophobicContact CD2-CD2 3.89Å; Y339-L510 HydrophobicContact CD2-CG 4.15Å
340	S	89.4	Confident	87.4	Confident	13 Å²	13	52.1 Å²	52.1	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-54.8	-51.2	171.8	-170.9	0	0	0	0	110.7	L336 K337 T342 L343 E344	L336-S340 PolarHBondContact O-N 2.73Å; K337-S340 WeakPolarHBondContact O-CB 3.06Å; K337-S340 PolarHBondContact O-N 2.84Å; S340-T342 VanDerWaalsContact C-N 3.29Å; S340-T342 PolarHBondContact O-N 2.91Å; S340-L343 WeakPolarHBondContact O-CA 3.39Å; S340-L343 WeakPolarHBondContact O-CB 3.41Å; S340-L343 PolarHBondContact O-N 2.82Å; S340-E344 WeakPolarHBondContact O-CG 3.25Å; S340-E344 PolarHBondContact O-N 3.06Å; S340-E344 VanDerWaalsContact O-N 3.16Å
341	A	87.4	Confident	87.5	Confident	61 Å²	61	47.9 Å²	47.9	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-58.9	-36.7	176.4	0	0	0	0	0	113.4	K337 Y339 L343 E344	K337-A341 WeakPolarHBondContact O-CB 3.38Å; K337-A341 PolarHBondContact O-N 3.1Å; Y339-A341 VanDerWaalsContact C-N 3.34Å; Y339-A341 PolarHBondContact O-N 3.1Å; A341-L343 VanDerWaalsContact C-N 3.3Å; A341-L343 PolarHBondContact O-N 3.14Å; A341-E344 PolarHBondContact O-N 3.24Å
342	T	84	Confident	87.5	Confident	43 Å²	43	48.2 Å²	48.2	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-67.1	-32.3	176.1	-59	0	0	0	0	112	A338 Y339 S340 K502	A338-T342 PolarHBondContact O-N 3.22Å; A338-T342 PolarHBondContact O-OG1 3.23Å; Y339-T342 WeakPolarHBondContact O-CB 3.34Å; Y339-T342 PolarHBondContact O-N 3.24Å; Y339-T342 VanDerWaalsContact O-N 3.14Å; S340-T342 VanDerWaalsContact C-N 3.29Å; S340-T342 PolarHBondContact O-N 2.91Å; T342-K502 HydrophobicContact CG2-CB 3.86Å; T342-K502 HydrophobicContact CG2-CD 4.19Å
343	L	86.6	Confident	87.5	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	27%	0.273	C	S	.	.	H	α-helix	trans	-80.5	-14	177.6	-64.2	168.9	0	0	0	113.2	V321 L324 L328 Y339 S340 A341 D345 L503 T506	V321-L343 HydrophobicContact CG1-CD2 4.26Å; L324-L343 HydrophobicContact CD2-CD1 3.87Å; L324-L343 HydrophobicContact CD2-CD2 4.37Å; L324-L343 HydrophobicContact CG-CD1 3.9Å; L328-L343 HydrophobicContact CD1-CD1 3.46Å; L328-L343 VanDerWaalsContact CD1-CD1 3.46Å; Y339-L343 VanDerWaalsContact O-CG 3.29Å; Y339-L343 WeakPolarHBondContact O-CG 3.37Å; Y339-L343 PolarHBondContact O-N 3.02Å; S340-L343 WeakPolarHBondContact O-CA 3.39Å; S340-L343 WeakPolarHBondContact O-CB 3.41Å; S340-L343 PolarHBondContact O-N 2.82Å; A341-L343 VanDerWaalsContact C-N 3.3Å; A341-L343 PolarHBondContact O-N 3.14Å; L343-D345 PolarHBondContact O-N 3.09Å; L343-L503 HydrophobicContact CD2-CD1 3.44Å; L343-L503 VanDerWaalsContact CD2-CD1 3.44Å; L343-T506 HydrophobicContact CD1-CG2 4.39Å; L343-T506 HydrophobicContact CD2-CG2 4.42Å; L343-T506 HydrophobicContact CG-CG2 4.39Å
344	E	87.4	Confident	87.2	Confident	82 Å²	82	50.7 Å²	50.7	38%	0.383	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	5.4	175.4	-48.7	-155.3	120.7	0	0	113.9	R325 S340 A341 N346	R325-E344 IonicContact CZ-OE1 3.77Å; R325-E344 IonicContact NE-OE1 2.82Å; R325-E344 PolarHBondContact NE-OE1 2.98Å; R325-E344 VanDerWaalsContact NE-OE1 3.16Å; R325-E344 VanDerWaalsContact NH2-CD 3.26Å; R325-E344 IonicContact NH2-OE1 3.5Å; R325-E344 PolarHBondContact NH2-OE1 3.13Å; S340-E344 WeakPolarHBondContact O-CG 3.25Å; S340-E344 PolarHBondContact O-N 3.06Å; S340-E344 VanDerWaalsContact O-N 3.16Å; A341-E344 PolarHBondContact O-N 3.24Å; E344-N346 PolarHBondContact O-N 3.19Å
345	D	84.9	Confident	87	Confident	41 Å²	41	47 Å²	47	22%	0.219	25%	0.248	C	C	.	.			trans	-67.2	113.1	-180	-169.8	-25.9	0	0	0	111.7	L343 R347 F348	L343-D345 PolarHBondContact O-N 3.09Å; D345-R347 PolarHBondContact O-N 3.35Å; D345-R347 VanDerWaalsContact OD1-CB 3.27Å; D345-R347 WeakPolarHBondContact OD1-CB 3.49Å; D345-R347 WeakPolarHBondContact OD1-CG 3.33Å; D345-R347 PolarHBondContact OD1-N 2.95Å; D345-R347 IonicContact OD1-NE 2.81Å; D345-R347 PolarHBondContact OD1-NE 3.5Å; D345-R347 IonicContact OD2-CZ 3.19Å; D345-R347 IonicContact OD2-NE 3.99Å; D345-R347 PolarHBondContact OD2-NE 2.72Å; D345-R347 IonicContact OD2-NH2 2.69Å; D345-R347 PolarHBondContact OD2-NH2 3.18Å; D345-F348 HydrophobicContact CB-CD2 4.05Å; D345-F348 HydrophobicContact CB-CE2 3.86Å; D345-F348 VanDerWaalsContact O-CD2 3.22Å; D345-F348 WeakPolarHBondContact O-CD2 3.35Å; D345-F348 PolarHBondContact O-N 3.5Å
346	N	86.8	Confident	86.7	Confident	114 Å²	114	49 Å²	49	61%	0.61	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-18.7	179.9	-65.2	-8.8	0	0	0	114	E344 F348 D349 I350	E344-N346 PolarHBondContact O-N 3.19Å; N346-F348 PolarHBondContact O-N 2.82Å; N346-D349 PolarHBondContact O-N 3.4Å; N346-I350 WeakPolarHBondContact O-CG1 3.45Å; N346-I350 PolarHBondContact O-N 2.94Å; N346-I350 VanDerWaalsContact O-N 3.16Å
347	R	83.4	Confident	86.3	Confident	68 Å²	68	53.2 Å²	53.2	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-27.8	176.1	-66.8	-178.9	-66.6	176	0.1	112.9	D345 I351 C499	D345-R347 PolarHBondContact O-N 3.35Å; D345-R347 VanDerWaalsContact OD1-CB 3.27Å; D345-R347 WeakPolarHBondContact OD1-CB 3.49Å; D345-R347 WeakPolarHBondContact OD1-CG 3.33Å; D345-R347 PolarHBondContact OD1-N 2.95Å; D345-R347 IonicContact OD1-NE 2.81Å; D345-R347 PolarHBondContact OD1-NE 3.5Å; D345-R347 IonicContact OD2-CZ 3.19Å; D345-R347 IonicContact OD2-NE 3.99Å; D345-R347 PolarHBondContact OD2-NE 2.72Å; D345-R347 IonicContact OD2-NH2 2.69Å; D345-R347 PolarHBondContact OD2-NH2 3.18Å; R347-I351 WeakPolarHBondContact O-CD1 3.32Å; R347-I351 VanDerWaalsContact O-CG1 3.24Å; R347-I351 WeakPolarHBondContact O-CG1 3.34Å; R347-I351 PolarHBondContact O-N 2.9Å; R347-I351 VanDerWaalsContact O-N 3.13Å; R347-C499 HydrophobicContact CB-CB 4.31Å
348	F	86.8	Confident	85.8	Confident	6 Å²	6	49 Å²	49	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-43.9	175.5	-63.7	-56.7	0	0	0	111.6	L318 V321 D345 N346 I351 L352 C499 L500 L503	L318-F348 HydrophobicContact CD2-CB 4.25Å; L318-F348 HydrophobicContact CD2-CD1 3.85Å; L318-F348 HydrophobicContact CD2-CG 4.48Å; V321-F348 HydrophobicContact CG1-CD2 4.23Å; V321-F348 HydrophobicContact CG1-CG 4.4Å; D345-F348 HydrophobicContact CB-CD2 4.05Å; D345-F348 HydrophobicContact CB-CE2 3.86Å; D345-F348 VanDerWaalsContact O-CD2 3.22Å; D345-F348 WeakPolarHBondContact O-CD2 3.35Å; D345-F348 PolarHBondContact O-N 3.5Å; N346-F348 PolarHBondContact O-N 2.82Å; F348-I351 PolarHBondContact O-N 2.94Å; F348-L352 WeakPolarHBondContact O-CB 3.4Å; F348-L352 PolarHBondContact O-N 3.43Å; F348-C499 HydrophobicContact CD1-CB 4.42Å; F348-C499 HydrophobicContact CE1-CB 3.8Å; F348-C499 HydrophobicContact CZ-CB 3.98Å; F348-L500 HydrophobicContact CD1-CD2 4.24Å; F348-L500 HydrophobicContact CE1-CD2 4.15Å; F348-L503 HydrophobicContact CE1-CB 3.94Å; F348-L503 HydrophobicContact CE1-CD2 4.13Å; F348-L503 HydrophobicContact CZ-CB 3.99Å
349	D	86.9	Confident	85.4	Confident	75 Å²	75	46.8 Å²	46.8	40%	0.401	25%	0.246	S	C	.	.	H	α-helix	trans	-67.1	-41.8	178.9	-63.1	-42.9	0	0	0	111.4	N346 I351 L352 E353	N346-D349 PolarHBondContact O-N 3.4Å; D349-I351 PolarHBondContact O-N 3.46Å; D349-L352 PolarHBondContact O-N 3.05Å; D349-L352 VanDerWaalsContact O-N 3.15Å; D349-E353 WeakPolarHBondContact O-CG 3.27Å; D349-E353 PolarHBondContact O-N 3.3Å
350	I	87.6	Confident	84.6	Confident	68 Å²	68	47.6 Å²	47.6	35%	0.349	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-48.1	175.8	-64.9	168.1	0	0	0	110.9	N346 L352 E353 Q354	N346-I350 WeakPolarHBondContact O-CG1 3.45Å; N346-I350 PolarHBondContact O-N 2.94Å; N346-I350 VanDerWaalsContact O-N 3.16Å; I350-L352 VanDerWaalsContact C-N 3.33Å; I350-L352 PolarHBondContact O-N 3.07Å; I350-E353 PolarHBondContact O-N 2.89Å; I350-Q354 WeakPolarHBondContact O-CB 3.33Å; I350-Q354 VanDerWaalsContact O-CG 3.3Å; I350-Q354 WeakPolarHBondContact O-CG 3.27Å; I350-Q354 PolarHBondContact O-N 3.46Å
351	I	84.6	Confident	83.1	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.2	-41.4	178.6	-64.8	166.1	0	0	0	110.2	L318 R347 F348 D349 Q354 I355 I493 H496	L318-I351 HydrophobicContact CD1-CB 4.09Å; L318-I351 HydrophobicContact CD1-CG2 3.46Å; L318-I351 VanDerWaalsContact CD1-CG2 3.46Å; R347-I351 WeakPolarHBondContact O-CD1 3.32Å; R347-I351 VanDerWaalsContact O-CG1 3.24Å; R347-I351 WeakPolarHBondContact O-CG1 3.34Å; R347-I351 PolarHBondContact O-N 2.9Å; R347-I351 VanDerWaalsContact O-N 3.13Å; F348-I351 PolarHBondContact O-N 2.94Å; D349-I351 PolarHBondContact O-N 3.46Å; I351-Q354 PolarHBondContact O-N 3.35Å; I351-I355 HydrophobicContact CG2-CD1 3.8Å; I351-I355 HydrophobicContact CG2-CG1 4.45Å; I351-I355 VanDerWaalsContact O-CG1 3.26Å; I351-I355 WeakPolarHBondContact O-CG1 3.42Å; I351-I355 PolarHBondContact O-N 3.38Å; I351-I493 HydrophobicContact CG2-CD1 4.27Å; I351-I493 HydrophobicContact CG2-CG1 4.14Å; I351-I493 HydrophobicContact CG2-CG2 4.02Å; I351-H496 HydrophobicContact CD1-CB 3.84Å; I351-H496 HydrophobicContact CG1-CB 4.07Å
352	L	87	Confident	81.7	Confident	12 Å²	12	57.7 Å²	57.7	6%	0.063	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-42.4	-179.3	-176.4	57	0	0	0	112.2	K315 L318 F348 D349 I350 I355 K356	K315-L352 HydrophobicContact CG-CD1 4.39Å; L318-L352 HydrophobicContact CB-CB 4.35Å; L318-L352 HydrophobicContact CB-CD1 3.91Å; L318-L352 HydrophobicContact CD1-CB 4.49Å; F348-L352 WeakPolarHBondContact O-CB 3.4Å; F348-L352 PolarHBondContact O-N 3.43Å; D349-L352 PolarHBondContact O-N 3.05Å; D349-L352 VanDerWaalsContact O-N 3.15Å; I350-L352 VanDerWaalsContact C-N 3.33Å; I350-L352 PolarHBondContact O-N 3.07Å; L352-I355 PolarHBondContact O-N 3.45Å; L352-K356 HydrophobicContact CD1-CD 4.29Å; L352-K356 HydrophobicContact CD1-CG 4.44Å; L352-K356 HydrophobicContact CG-CD 4.09Å; L352-K356 WeakPolarHBondContact O-CB 3.24Å; L352-K356 WeakPolarHBondContact O-CG 3.32Å; L352-K356 PolarHBondContact O-N 2.98Å
353	E	87.3	Confident	80.4	Confident	137 Å²	137	56 Å²	56	64%	0.64	28%	0.275	S	S	*	.	H	α-helix	trans	-62.2	-47.6	174.4	-74.6	-170.2	158.6	0	0	111.1	D349 I350 I355 K356 T357	D349-E353 WeakPolarHBondContact O-CG 3.27Å; D349-E353 PolarHBondContact O-N 3.3Å; I350-E353 PolarHBondContact O-N 2.89Å; E353-I355 VanDerWaalsContact C-N 3.28Å; E353-I355 PolarHBondContact O-N 3.32Å; E353-K356 CarbonylContact O-C 3.59Å; E353-K356 PolarHBondContact O-N 2.87Å; E353-T357 WeakPolarHBondContact O-CG2 3.32Å; E353-T357 PolarHBondContact O-N 2.88Å
354	Q	85.3	Confident	79	Confident	53 Å²	53	59 Å²	59	25%	0.248	29%	0.293	C	S	.	.	H	α-helix	trans	-55.3	-44	174.9	-74.8	179.6	-13.8	0	0	111.5	I350 I351 T357 V358 L489	I350-Q354 WeakPolarHBondContact O-CB 3.33Å; I350-Q354 VanDerWaalsContact O-CG 3.3Å; I350-Q354 WeakPolarHBondContact O-CG 3.27Å; I350-Q354 PolarHBondContact O-N 3.46Å; I351-Q354 PolarHBondContact O-N 3.35Å; Q354-T357 PolarHBondContact O-N 2.91Å; Q354-T357 PolarHBondContact O-OG1 3.48Å; Q354-V358 PolarHBondContact O-N 2.98Å; Q354-L489 HydrophobicContact CB-CD1 4.09Å
355	I	84.8	Confident	77.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-42.3	176	-66.1	166.3	0	0	0	111.3	V311 L314 K315 L318 I351 L352 E353 T357 V358 V359 L489 I493	V311-I355 HydrophobicContact CG1-CG2 4.27Å; L314-I355 HydrophobicContact CD2-CD1 3.81Å; L314-I355 HydrophobicContact CG-CD1 3.94Å; K315-I355 HydrophobicContact CB-CG2 3.83Å; K315-I355 HydrophobicContact CD-CG2 4.25Å; K315-I355 HydrophobicContact CG-CG2 3.92Å; L318-I355 HydrophobicContact CD1-CD1 3.86Å; I351-I355 HydrophobicContact CG2-CD1 3.8Å; I351-I355 HydrophobicContact CG2-CG1 4.45Å; I351-I355 VanDerWaalsContact O-CG1 3.26Å; I351-I355 WeakPolarHBondContact O-CG1 3.42Å; I351-I355 PolarHBondContact O-N 3.38Å; L352-I355 PolarHBondContact O-N 3.45Å; E353-I355 VanDerWaalsContact C-N 3.28Å; E353-I355 PolarHBondContact O-N 3.32Å; I355-T357 VanDerWaalsContact C-N 3.29Å; I355-T357 PolarHBondContact O-N 3.41Å; I355-V358 PolarHBondContact O-N 3.12Å; I355-V358 VanDerWaalsContact O-N 3.15Å; I355-V359 HydrophobicContact CG2-CB 4.11Å; I355-V359 HydrophobicContact CG2-CG2 3.94Å; I355-V359 WeakPolarHBondContact O-CB 3.39Å; I355-V359 PolarHBondContact O-N 3.31Å; I355-L489 HydrophobicContact CG1-CD2 4.33Å; I355-I493 HydrophobicContact CD1-CD1 4.01Å; I355-I493 HydrophobicContact CG1-CD1 3.76Å
356	K	83.7	Confident	76	Confident	62 Å²	62	62.7 Å²	62.7	27%	0.27	30%	0.304	S	S	.	.	H	α-helix	trans	-66.9	-26.4	178.8	-76.6	173.7	177.5	167.3	0	113.2	D319 L352 E353 V358 R381	D319-K356 VanDerWaalsContact OD1-CE 3.28Å; D319-K356 WeakPolarHBondContact OD1-CE 3.34Å; D319-K356 IonicContact OD1-NZ 3.96Å; D319-K356 PolarHBondContact OD1-NZ 3.37Å; L352-K356 HydrophobicContact CD1-CD 4.29Å; L352-K356 HydrophobicContact CD1-CG 4.44Å; L352-K356 HydrophobicContact CG-CD 4.09Å; L352-K356 WeakPolarHBondContact O-CB 3.24Å; L352-K356 WeakPolarHBondContact O-CG 3.32Å; L352-K356 PolarHBondContact O-N 2.98Å; E353-K356 CarbonylContact O-C 3.59Å; E353-K356 PolarHBondContact O-N 2.87Å; K356-V358 VanDerWaalsContact C-N 3.34Å; K356-R381 PolarHBondContact O-NH1 3.19Å
357	T	82.8	Confident	74.1	Confident	89 Å²	89	66.6 Å²	66.6	55%	0.546	32%	0.316	S	S	.	.	H	α-helix	trans	-68.3	-35.6	172	64.3	0	0	0	0	111.8	E353 Q354 I355 R381	E353-T357 WeakPolarHBondContact O-CG2 3.32Å; E353-T357 PolarHBondContact O-N 2.88Å; Q354-T357 PolarHBondContact O-N 2.91Å; Q354-T357 PolarHBondContact O-OG1 3.48Å; I355-T357 VanDerWaalsContact C-N 3.29Å; I355-T357 PolarHBondContact O-N 3.41Å; T357-R381 VanDerWaalsContact O-CD 3.3Å; T357-R381 WeakPolarHBondContact O-CD 3.26Å
358	V	78.9	Confident	72.2	Confident	21 Å²	21	64.9 Å²	64.9	13%	0.127	32%	0.319	C	S	.	.	H	α-helix	trans	-95.9	-38.1	-173.6	178.6	0	0	0	0	113.3	Q354 I355 K356 V380 R381 I384 V485 L489	Q354-V358 PolarHBondContact O-N 2.98Å; I355-V358 PolarHBondContact O-N 3.12Å; I355-V358 VanDerWaalsContact O-N 3.15Å; K356-V358 VanDerWaalsContact C-N 3.34Å; V358-V380 HydrophobicContact CG1-CG1 4.38Å; V358-V380 CarbonylContact O-C 3.46Å; V358-V380 WeakPolarHBondContact O-CA 3.42Å; V358-R381 PolarHBondContact O-N 3.04Å; V358-I384 HydrophobicContact CB-CD1 4.32Å; V358-I384 HydrophobicContact CG1-CD1 4.2Å; V358-I384 WeakPolarHBondContact O-CD1 3.33Å; V358-V485 HydrophobicContact CG1-CG1 3.73Å; V358-L489 HydrophobicContact CB-CD2 4Å; V358-L489 HydrophobicContact CG1-CD2 4.1Å; V358-L489 HydrophobicContact CG2-CD1 4.04Å; V358-L489 HydrophobicContact CG2-CD2 4.34Å
359	V	78.1	Confident	70.3	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.03	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-101.8	139.5	-173	-179	0	0	0	0	110.2	V311 K315 I355 T363 A379	V311-V359 HydrophobicContact CG1-CG2 4Å; K315-V359 HydrophobicContact CD-CG1 4.29Å; I355-V359 HydrophobicContact CG2-CB 4.11Å; I355-V359 HydrophobicContact CG2-CG2 3.94Å; I355-V359 WeakPolarHBondContact O-CB 3.39Å; I355-V359 PolarHBondContact O-N 3.31Å; V359-T363 VanDerWaalsContact CG1-OG1 3.27Å; V359-T363 WeakPolarHBondContact CG1-OG1 3.3Å; V359-A379 CarbonylContact C-O 3.43Å; V359-A379 VanDerWaalsContact CA-O 3.3Å; V359-A379 WeakPolarHBondContact CA-O 3.26Å; V359-A379 WeakPolarHBondContact CG1-O 2.93Å
360	N	73.1	Confident	68.4	Low	44 Å²	44	69.6 Å²	69.6	24%	0.235	35%	0.351	C	S	.	.			trans	-64.3	150.9	-176.9	-158.9	3.1	0	0	0	112.3	K315 T363 A379 R381	K315-N360 PolarHBondContact NZ-O 3.4Å; N360-T363 HydrophobicContact CB-CG2 4.01Å; N360-T363 PolarHBondContact O-OG1 2.81Å; N360-A379 PolarHBondContact N-O 2.83Å; N360-R381 HydrophobicContact CB-CG 4.24Å
361	Y	57.1	Low	66.7	Low	170 Å²	170	71 Å²	71	67%	0.667	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-41.9	-176.4	-163.9	-96.8	0	0	0	111	K315 T363	K315-Y361 PolarHBondContact NZ-O 2.98Å; Y361-T363 PolarHBondContact O-N 3.35Å
362	D	57.7	Low	65.2	Low	117 Å²	117	73.5 Å²	73.5	63%	0.626	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-2	-175.2	-56.3	-31.8	0	0	0	114.9	T364	D362-T364 PolarHBondContact O-N 3.47Å
363	T	57.8	Low	64	Low	7 Å²	7	76.2 Å²	76.2	4%	0.043	38%	0.382	C	S	.	.			trans	-79.2	92.7	175.2	62.4	0	0	0	0	109	K315 V359 N360 Y361	K315-T363 PolarHBondContact NZ-O 3.46Å; V359-T363 VanDerWaalsContact CG1-OG1 3.27Å; V359-T363 WeakPolarHBondContact CG1-OG1 3.3Å; N360-T363 HydrophobicContact CB-CG2 4.01Å; N360-T363 PolarHBondContact O-OG1 2.81Å; Y361-T363 PolarHBondContact O-N 3.35Å
364	T	56.1	Low	62.7	Low	69 Å²	69	73.4 Å²	73.4	42%	0.423	37%	0.374	S	S	.	.			trans	-105.5	147.8	171.4	50.7	0	0	0	0	110	D362 F366 Q375	D362-T364 PolarHBondContact O-N 3.47Å; T364-F366 PolarHBondContact O-N 2.99Å; T364-F366 VanDerWaalsContact O-N 3.16Å; T364-F366 WeakPolarHBondContact OG1-CD2 3.45Å; T364-F366 WeakPolarHBondContact OG1-CE2 3.35Å; T364-Q375 PolarHBondContact O-NE2 3.43Å; T364-Q375 PolarHBondContact O-OE1 3.34Å
365	Y	53.5	Low	61.6	Low	89 Å²	89	72.6 Å²	72.6	35%	0.349	37%	0.37	S	S	.	.			trans	-69	110.3	179	177.9	-97.3	0	0	0	110.5	Q313 K367	Q313-Y365 HydrophobicContact CG-CD2 4.33Å; Q313-Y365 HydrophobicContact CG-CE2 4.48Å; Y365-K367 HydrophobicContact CE1-CG 4.47Å
366	F	56.8	Low	60.6	Low	110 Å²	110	73.5 Å²	73.5	48%	0.482	37%	0.374	S	S	.	.			trans	-118.5	146.1	174.2	-79.2	-72.2	0	0	0	112	T364 G368 L372	T364-F366 PolarHBondContact O-N 2.99Å; T364-F366 VanDerWaalsContact O-N 3.16Å; T364-F366 WeakPolarHBondContact OG1-CD2 3.45Å; T364-F366 WeakPolarHBondContact OG1-CE2 3.35Å; F366-G368 VanDerWaalsContact C-N 3.26Å; F366-G368 PolarHBondContact O-N 3.19Å; F366-L372 WeakPolarHBondContact O-CD1 3.26Å
367	K	46.3	Very low	59.6	Low	196 Å²	196	70.6 Å²	70.6	85%	0.852	36%	0.362	S	S	*	.			trans	-80.2	11.4	178.9	-72	-177.3	176.4	176.7	0	114.8	Y365	Y365-K367 HydrophobicContact CE1-CG 4.47Å
368	G	44.8	Very low	58.9	Low	32 Å²	32	70.3 Å²	70.3	33%	0.33	35%	0.351	S	S	.	.			trans	-101.6	126.6	-173.1	0	0	0	0	0	115.3	F366 L370 N371 L372	F366-G368 VanDerWaalsContact C-N 3.26Å; F366-G368 PolarHBondContact O-N 3.19Å; G368-L370 PolarHBondContact O-N 3.36Å; G368-N371 PolarHBondContact O-N 3.42Å; G368-L372 WeakPolarHBondContact O-CB 3.43Å; G368-L372 PolarHBondContact O-N 3.24Å
369	S	46	Very low	58.5	Low	80 Å²	80	69.4 Å²	69.4	56%	0.559	35%	0.346	S	S	*	.	H	α-helix	trans	-54.5	-43.8	-174.5	166.9	0	0	0	0	116.2
370	L	46.3	Very low	58.4	Low	101 Å²	101	69.2 Å²	69.2	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-75.7	-44.7	-178.5	-81.3	161.3	0	0	0	112.3	G368 L372 R373 T374 F421	G368-L370 PolarHBondContact O-N 3.36Å; L370-L372 PolarHBondContact O-N 3.08Å; L370-R373 PolarHBondContact O-N 3.41Å; L370-T374 PolarHBondContact O-N 3.39Å; L370-T374 PolarHBondContact O-OG1 3.17Å; L370-F421 HydrophobicContact CD2-CB 4.1Å; L370-F421 HydrophobicContact CD2-CD1 3.51Å; L370-F421 HydrophobicContact CD2-CE1 4.36Å; L370-F421 HydrophobicContact CD2-CG 4.12Å
371	N	52.8	Low	58.6	Low	97 Å²	97	72.2 Å²	72.2	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-31.1	176.8	-66	-9.2	0	0	0	111	G368 Q375	G368-N371 PolarHBondContact O-N 3.42Å; N371-Q375 WeakPolarHBondContact O-CB 3.49Å; N371-Q375 WeakPolarHBondContact O-CG 3.42Å; N371-Q375 PolarHBondContact O-N 3.02Å
372	L	54.3	Low	59.3	Low	53 Å²	53	67.6 Å²	67.6	28%	0.277	34%	0.343	S	S	.	.	H	α-helix	trans	-63.6	-42.3	177	-138.7	81.2	0	0	0	112.7	F366 G368 L370 K376	F366-L372 WeakPolarHBondContact O-CD1 3.26Å; G368-L372 WeakPolarHBondContact O-CB 3.43Å; G368-L372 PolarHBondContact O-N 3.24Å; L370-L372 PolarHBondContact O-N 3.08Å; L372-K376 VanDerWaalsContact CD2-CE 3.49Å; L372-K376 VanDerWaalsContact O-CB 3.28Å; L372-K376 WeakPolarHBondContact O-CB 3.47Å; L372-K376 WeakPolarHBondContact O-CD 3.2Å; L372-K376 WeakPolarHBondContact O-CG 3.32Å; L372-K376 PolarHBondContact O-N 2.74Å
373	R	59.9	Low	60.2	Low	69 Å²	69	69.2 Å²	69.2	26%	0.26	35%	0.352	S	S	.	.	H	α-helix	trans	-72.6	-42.4	-177.9	-158.6	177.3	-168.5	-170.1	1.8	111.2	L370 K376 C377 D472	L370-R373 PolarHBondContact O-N 3.41Å; R373-K376 PolarHBondContact O-N 3.16Å; R373-C377 WeakPolarHBondContact O-CB 3.46Å; R373-C377 PolarHBondContact O-N 3.16Å; R373-D472 IonicContact CZ-OD1 2.97Å; R373-D472 IonicContact NH1-OD1 2.91Å; R373-D472 IonicContact NH2-OD1 3.58Å; R373-D472 PolarHBondContact NH2-OD1 3.38Å
374	T	61	Low	61.2	Low	77 Å²	77	72.2 Å²	72.2	47%	0.472	37%	0.367	S	S	.	.	H	α-helix	trans	-66.6	-44	176.6	-50.7	0	0	0	0	111.4	L370 K376 C377 Y378	L370-T374 PolarHBondContact O-N 3.39Å; L370-T374 PolarHBondContact O-OG1 3.17Å; T374-K376 VanDerWaalsContact C-N 3.34Å; T374-K376 PolarHBondContact O-N 2.99Å; T374-C377 WeakPolarHBondContact O-CB 3.48Å; T374-C377 PolarHBondContact O-N 2.93Å; T374-Y378 HydrophobicContact CG2-CD2 3.97Å; T374-Y378 HydrophobicContact CG2-CE2 4.11Å; T374-Y378 VanDerWaalsContact O-CD2 3.28Å; T374-Y378 WeakPolarHBondContact O-CD2 3.38Å; T374-Y378 PolarHBondContact O-N 2.86Å; T374-Y378 VanDerWaalsContact O-N 3.08Å
375	Q	61.7	Low	62.3	Low	37 Å²	37	70.4 Å²	70.4	17%	0.173	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-37.3	174.6	-77.1	-178.6	-25.4	0	0	112.5	T364 N371 C377 Y378 A379	T364-Q375 PolarHBondContact O-NE2 3.43Å; T364-Q375 PolarHBondContact O-OE1 3.34Å; N371-Q375 WeakPolarHBondContact O-CB 3.49Å; N371-Q375 WeakPolarHBondContact O-CG 3.42Å; N371-Q375 PolarHBondContact O-N 3.02Å; Q375-C377 VanDerWaalsContact C-N 3.34Å; Q375-Y378 CarbonylContact O-C 3.6Å; Q375-Y378 PolarHBondContact O-N 3.3Å; Q375-A379 VanDerWaalsContact O-CA 3.27Å; Q375-A379 WeakPolarHBondContact O-CA 3.49Å; Q375-A379 WeakPolarHBondContact O-CB 3.48Å; Q375-A379 PolarHBondContact O-N 3.11Å
376	K	63.6	Low	63.7	Low	18 Å²	18	69.4 Å²	69.4	8%	0.078	37%	0.365	C	S	.	.	H	α-helix	trans	-65.6	-37.4	174.5	-74.2	172.8	-166.2	-164.4	0	112.2	E305 I308 T309 L372 R373 T374 Y378 A379 F479	E305-K376 HydrophobicContact CG-CD 3.61Å; E305-K376 IonicContact OE1-NZ 3.03Å; E305-K376 PolarHBondContact OE1-NZ 3.28Å; I308-K376 HydrophobicContact CG2-CG 4.49Å; T309-K376 WeakPolarHBondContact OG1-CE 3.34Å; L372-K376 VanDerWaalsContact CD2-CE 3.49Å; L372-K376 VanDerWaalsContact O-CB 3.28Å; L372-K376 WeakPolarHBondContact O-CB 3.47Å; L372-K376 WeakPolarHBondContact O-CD 3.2Å; L372-K376 WeakPolarHBondContact O-CG 3.32Å; L372-K376 PolarHBondContact O-N 2.74Å; R373-K376 PolarHBondContact O-N 3.16Å; T374-K376 VanDerWaalsContact C-N 3.34Å; T374-K376 PolarHBondContact O-N 2.99Å; K376-Y378 VanDerWaalsContact C-N 3.35Å; K376-A379 WeakPolarHBondContact O-CB 3.42Å; K376-A379 PolarHBondContact O-N 2.85Å; K376-F479 HydrophobicContact CB-CE1 3.81Å; K376-F479 HydrophobicContact CB-CZ 4.37Å
377	C	63.7	Low	64.9	Low	2 Å²	2	71.1 Å²	71.1	1%	0.014	37%	0.372	C	S	.	.	H	α-helix	trans	-64.4	-39.9	177.6	-154.1	0	0	0	0	111.7	R373 T374 Q375 R392	R373-C377 WeakPolarHBondContact O-CB 3.46Å; R373-C377 PolarHBondContact O-N 3.16Å; T374-C377 WeakPolarHBondContact O-CB 3.48Å; T374-C377 PolarHBondContact O-N 2.93Å; Q375-C377 VanDerWaalsContact C-N 3.34Å; C377-R392 PolarHBondContact O-NE 2.96Å; C377-R392 PolarHBondContact O-NH2 2.92Å
378	Y	68.5	Low	66.7	Low	82 Å²	82	61.8 Å²	61.8	32%	0.322	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	20.6	-179.5	-62.4	-73.4	0	0	0	113.9	T374 Q375 K376 V380 R392 T396	T374-Y378 HydrophobicContact CG2-CD2 3.97Å; T374-Y378 HydrophobicContact CG2-CE2 4.11Å; T374-Y378 VanDerWaalsContact O-CD2 3.28Å; T374-Y378 WeakPolarHBondContact O-CD2 3.38Å; T374-Y378 PolarHBondContact O-N 2.86Å; T374-Y378 VanDerWaalsContact O-N 3.08Å; Q375-Y378 CarbonylContact O-C 3.6Å; Q375-Y378 PolarHBondContact O-N 3.3Å; K376-Y378 VanDerWaalsContact C-N 3.35Å; Y378-V380 PolarHBondContact O-N 2.91Å; Y378-R392 HydrophobicContact CE1-CB 4.48Å; Y378-R392 HydrophobicContact CE1-CG 4.31Å; Y378-T396 PolarHBondContact OH-OG1 2.96Å
379	A	69.9	Low	68.5	Low	2 Å²	2	62.1 Å²	62.1	2%	0.017	33%	0.326	C	S	.	.			trans	-63.9	-43.9	-175.1	0	0	0	0	0	112	I308 I312 V359 N360 Q375 K376	I308-A379 HydrophobicContact CG2-CB 3.64Å; I312-A379 HydrophobicContact CD1-CB 4.35Å; V359-A379 CarbonylContact C-O 3.43Å; V359-A379 VanDerWaalsContact CA-O 3.3Å; V359-A379 WeakPolarHBondContact CA-O 3.26Å; V359-A379 WeakPolarHBondContact CG1-O 2.93Å; N360-A379 PolarHBondContact N-O 2.83Å; Q375-A379 VanDerWaalsContact O-CA 3.27Å; Q375-A379 WeakPolarHBondContact O-CA 3.49Å; Q375-A379 WeakPolarHBondContact O-CB 3.48Å; Q375-A379 PolarHBondContact O-N 3.11Å; K376-A379 WeakPolarHBondContact O-CB 3.42Å; K376-A379 PolarHBondContact O-N 2.85Å
380	V	76.5	Confident	70.4	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-81.6	136.4	176.9	-179.6	0	0	0	0	109.8	V358 Y378 I384 L388 R392 V485 I486	V358-V380 HydrophobicContact CG1-CG1 4.38Å; V358-V380 CarbonylContact O-C 3.46Å; V358-V380 WeakPolarHBondContact O-CA 3.42Å; Y378-V380 PolarHBondContact O-N 2.91Å; V380-I384 HydrophobicContact CG1-CB 4.24Å; V380-I384 HydrophobicContact CG1-CD1 3.73Å; V380-I384 HydrophobicContact CG1-CG2 4.43Å; V380-L388 HydrophobicContact CB-CD2 3.81Å; V380-L388 HydrophobicContact CG1-CD2 3.86Å; V380-L388 HydrophobicContact CG2-CD2 4.4Å; V380-R392 VanDerWaalsContact O-CZ 3.25Å; V380-R392 PolarHBondContact O-NH1 2.71Å; V380-R392 PolarHBondContact O-NH2 3.34Å; V380-V485 HydrophobicContact CG1-CG1 4.03Å; V380-I486 HydrophobicContact CG2-CD1 4.28Å; V380-I486 HydrophobicContact CG2-CG1 4.46Å
381	R	76.8	Confident	72.2	Confident	107 Å²	107	59 Å²	59	40%	0.404	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-61.1	150.4	178.9	-65.1	177.7	93.9	169.4	-2.5	111.6	K356 T357 V358 N360 I384	K356-R381 PolarHBondContact O-NH1 3.19Å; T357-R381 VanDerWaalsContact O-CD 3.3Å; T357-R381 WeakPolarHBondContact O-CD 3.26Å; V358-R381 PolarHBondContact O-N 3.04Å; N360-R381 HydrophobicContact CB-CG 4.24Å; R381-I384 HydrophobicContact CB-CD1 3.72Å; R381-I384 HydrophobicContact CB-CG1 4.38Å
382	P	72.1	Confident	73.7	Confident	73 Å²	73	55 Å²	55	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	156.4	170.4	28.5	-34.3	0	0	0	110.7	I384	P382-I384 VanDerWaalsContact C-N 3.31Å; P382-I384 PolarHBondContact O-N 3.01Å
383	N	75.5	Confident	75.2	Confident	152 Å²	152	60.8 Å²	60.8	81%	0.813	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.9	8.7	180	-51.1	-45.3	0	0	0	116.5	D389	N383-D389 WeakPolarHBondContact CA-OD2 3.5Å; N383-D389 PolarHBondContact N-OD2 3.34Å
384	I	78.5	Confident	76.5	Confident	69 Å²	69	60.3 Å²	60.3	35%	0.354	31%	0.305	S	S	.	.	S	Bend	trans	-84.1	-39.1	172.3	-65.1	170.6	0	0	0	111	V358 V380 R381 P382 V485	V358-I384 HydrophobicContact CB-CD1 4.32Å; V358-I384 HydrophobicContact CG1-CD1 4.2Å; V358-I384 WeakPolarHBondContact O-CD1 3.33Å; V380-I384 HydrophobicContact CG1-CB 4.24Å; V380-I384 HydrophobicContact CG1-CD1 3.73Å; V380-I384 HydrophobicContact CG1-CG2 4.43Å; R381-I384 HydrophobicContact CB-CD1 3.72Å; R381-I384 HydrophobicContact CB-CG1 4.38Å; P382-I384 VanDerWaalsContact C-N 3.31Å; P382-I384 PolarHBondContact O-N 3.01Å; I384-V485 HydrophobicContact CG2-CG1 3.8Å
385	N	80.9	Confident	77.6	Confident	32 Å²	32	58 Å²	58	17%	0.171	29%	0.288	C	S	.	.			trans	-141.3	113.9	-179.8	-176.5	-32.6	0	0	0	109.4	F387 L388 D389 V485	N385-F387 VanDerWaalsContact C-N 3.25Å; N385-F387 PolarHBondContact O-N 3.14Å; N385-F387 WeakPolarHBondContact OD1-CB 3.26Å; N385-F387 PolarHBondContact OD1-N 2.95Å; N385-L388 HydrophobicContact CB-CB 3.98Å; N385-L388 WeakPolarHBondContact O-CB 3.07Å; N385-L388 PolarHBondContact O-N 2.84Å; N385-L388 VanDerWaalsContact O-N 3.1Å; N385-L388 PolarHBondContact OD1-N 2.96Å; N385-D389 PolarHBondContact O-N 2.8Å; N385-V485 HydrophobicContact CB-CG2 4.1Å
386	A	82.2	Confident	78.8	Confident	68 Å²	68	58.8 Å²	58.8	56%	0.562	30%	0.295	S	S	*	.	H	α-helix	trans	-59	-35	-178.6	0	0	0	0	0	112.9	D389 I390	A386-D389 PolarHBondContact O-N 3.25Å; A386-I390 WeakPolarHBondContact O-CD1 3.29Å; A386-I390 VanDerWaalsContact O-CG1 3.24Å; A386-I390 WeakPolarHBondContact O-CG1 3.48Å; A386-I390 PolarHBondContact O-N 3.39Å
387	F	81.7	Confident	80	Confident	145 Å²	145	62.8 Å²	62.8	64%	0.636	31%	0.314	S	S	*	.	H	α-helix	trans	-68.8	-36.2	177.6	-63	-76	0	0	0	112.2	N385 I390 A391 M481	N385-F387 VanDerWaalsContact C-N 3.25Å; N385-F387 PolarHBondContact O-N 3.14Å; N385-F387 WeakPolarHBondContact OD1-CB 3.26Å; N385-F387 PolarHBondContact OD1-N 2.95Å; F387-I390 PolarHBondContact O-N 2.63Å; F387-A391 WeakPolarHBondContact O-CB 3.39Å; F387-A391 PolarHBondContact O-N 2.9Å; F387-M481 HydrophobicContact CB-CE 4.23Å; F387-M481 HydrophobicContact CB-CG 4.49Å; F387-M481 HydrophobicContact CB-SD 4.36Å
388	L	83.3	Confident	81	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-41.3	174.9	178.4	62.6	0	0	0	111.3	V380 N385 A391 R392 I478 M481 S482	V380-L388 HydrophobicContact CB-CD2 3.81Å; V380-L388 HydrophobicContact CG1-CD2 3.86Å; V380-L388 HydrophobicContact CG2-CD2 4.4Å; N385-L388 HydrophobicContact CB-CB 3.98Å; N385-L388 WeakPolarHBondContact O-CB 3.07Å; N385-L388 PolarHBondContact O-N 2.84Å; N385-L388 VanDerWaalsContact O-N 3.1Å; N385-L388 PolarHBondContact OD1-N 2.96Å; L388-A391 PolarHBondContact O-N 3.06Å; L388-R392 WeakPolarHBondContact O-CG 3.24Å; L388-R392 PolarHBondContact O-N 2.96Å; L388-I478 HydrophobicContact CD1-CB 4.42Å; L388-I478 HydrophobicContact CD1-CG2 3.9Å; L388-M481 HydrophobicContact CB-CB 4.44Å; L388-M481 HydrophobicContact CB-CG 4.01Å; L388-M481 HydrophobicContact CD1-CB 4.16Å; L388-S482 WeakPolarHBondContact CD1-OG 3.44Å
389	D	83.4	Confident	81.9	Confident	40 Å²	40	61 Å²	61	21%	0.214	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-35.6	179.7	-67.1	-29.4	0	0	0	112.1	N383 N385 A386 R392 R393	N383-D389 WeakPolarHBondContact CA-OD2 3.5Å; N383-D389 PolarHBondContact N-OD2 3.34Å; N385-D389 PolarHBondContact O-N 2.8Å; A386-D389 PolarHBondContact O-N 3.25Å; D389-R392 PolarHBondContact O-N 3.42Å; D389-R392 IonicContact OD1-NH1 2.75Å; D389-R393 PolarHBondContact O-N 2.83Å
390	I	85.2	Confident	82.6	Confident	101 Å²	101	65.8 Å²	65.8	52%	0.518	34%	0.337	S	S	.	.	H	α-helix	trans	-62.9	-48.5	171.2	-67	162.8	0	0	0	110.4	A386 F387 R392 R393 V394	A386-I390 WeakPolarHBondContact O-CD1 3.29Å; A386-I390 VanDerWaalsContact O-CG1 3.24Å; A386-I390 WeakPolarHBondContact O-CG1 3.48Å; A386-I390 PolarHBondContact O-N 3.39Å; F387-I390 PolarHBondContact O-N 2.63Å; I390-R392 VanDerWaalsContact C-N 3.3Å; I390-R392 PolarHBondContact O-N 2.89Å; I390-R393 WeakPolarHBondContact O-CB 3.42Å; I390-R393 PolarHBondContact O-N 3.35Å; I390-R393 VanDerWaalsContact O-N 3.14Å; I390-V394 WeakPolarHBondContact O-CG2 3.43Å; I390-V394 PolarHBondContact O-N 3.05Å
391	A	84.1	Confident	83.2	Confident	14 Å²	14	70.1 Å²	70.1	12%	0.116	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-38.8	179.2	0	0	0	0	0	112.2	F387 L388 V394 Y395 I478	F387-A391 WeakPolarHBondContact O-CB 3.39Å; F387-A391 PolarHBondContact O-N 2.9Å; L388-A391 PolarHBondContact O-N 3.06Å; A391-V394 PolarHBondContact O-N 3.04Å; A391-Y395 PolarHBondContact O-N 2.76Å; A391-I478 HydrophobicContact CB-CG1 3.75Å
392	R	84.9	Confident	83.6	Confident	13 Å²	13	65.1 Å²	65.1	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-41.6	173.2	-76.2	170.2	172.3	168.9	-4.5	112.6	C377 Y378 V380 L388 D389 I390 Y395 T396 I478	C377-R392 PolarHBondContact O-NE 2.96Å; C377-R392 PolarHBondContact O-NH2 2.92Å; Y378-R392 HydrophobicContact CE1-CB 4.48Å; Y378-R392 HydrophobicContact CE1-CG 4.31Å; V380-R392 VanDerWaalsContact O-CZ 3.25Å; V380-R392 PolarHBondContact O-NH1 2.71Å; V380-R392 PolarHBondContact O-NH2 3.34Å; L388-R392 WeakPolarHBondContact O-CG 3.24Å; L388-R392 PolarHBondContact O-N 2.96Å; D389-R392 PolarHBondContact O-N 3.42Å; D389-R392 IonicContact OD1-NH1 2.75Å; I390-R392 VanDerWaalsContact C-N 3.3Å; I390-R392 PolarHBondContact O-N 2.89Å; R392-Y395 PolarHBondContact O-N 3.28Å; R392-T396 PolarHBondContact O-N 3.47Å; R392-T396 PolarHBondContact O-OG1 3.4Å; R392-I478 HydrophobicContact CG-CD1 4.16Å; R392-I478 HydrophobicContact CG-CG1 4.37Å
393	R	86.1	Confident	84.3	Confident	174 Å²	174	63.1 Å²	63.1	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-60.9	-47.8	175.9	-172.8	179.7	-68.6	169.6	-1	111	D389 I390 Y395 T396 E397	D389-R393 PolarHBondContact O-N 2.83Å; I390-R393 WeakPolarHBondContact O-CB 3.42Å; I390-R393 PolarHBondContact O-N 3.35Å; I390-R393 VanDerWaalsContact O-N 3.14Å; R393-Y395 VanDerWaalsContact C-N 3.3Å; R393-Y395 PolarHBondContact O-N 3.49Å; R393-T396 PolarHBondContact O-N 2.88Å; R393-T396 VanDerWaalsContact O-N 3.09Å; R393-E397 WeakPolarHBondContact CG-OE1 3.27Å; R393-E397 WeakPolarHBondContact O-CG 3.23Å; R393-E397 PolarHBondContact O-N 3.27Å
394	V	85.9	Confident	84.8	Confident	60 Å²	60	57.1 Å²	57.1	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-58.1	-42.5	176.1	174.4	0	0	0	0	111.5	I390 A391 I398	I390-V394 WeakPolarHBondContact O-CG2 3.43Å; I390-V394 PolarHBondContact O-N 3.05Å; A391-V394 PolarHBondContact O-N 3.04Å; V394-I398 HydrophobicContact CG1-CD1 3.95Å; V394-I398 WeakPolarHBondContact O-CD1 3.41Å; V394-I398 VanDerWaalsContact O-CG1 3.26Å; V394-I398 WeakPolarHBondContact O-CG1 3.22Å; V394-I398 PolarHBondContact O-N 3.15Å
395	Y	85.8	Confident	85.2	Confident	29 Å²	29	55.6 Å²	55.6	11%	0.114	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-43.4	175.3	174.5	-100	0	0	0	112.5	A391 R392 R393 I398 V399 C471 L475 I478	A391-Y395 PolarHBondContact O-N 2.76Å; R392-Y395 PolarHBondContact O-N 3.28Å; R393-Y395 VanDerWaalsContact C-N 3.3Å; R393-Y395 PolarHBondContact O-N 3.49Å; Y395-I398 PolarHBondContact O-N 2.96Å; Y395-V399 HydrophobicContact CD1-CG2 4.41Å; Y395-V399 HydrophobicContact CE1-CG2 3.93Å; Y395-V399 HydrophobicContact CE2-CG2 4.07Å; Y395-V399 WeakPolarHBondContact O-CG2 3.42Å; Y395-V399 PolarHBondContact O-N 3.36Å; Y395-C471 WeakPolarHBondContact CE2-SG 3.33Å; Y395-L475 HydrophobicContact CD2-CD1 4.39Å; Y395-L475 HydrophobicContact CD2-CD2 3.75Å; Y395-L475 HydrophobicContact CD2-CG 3.67Å; Y395-L475 HydrophobicContact CE1-CD2 4.44Å; Y395-L475 HydrophobicContact CE2-CD1 3.62Å; Y395-L475 HydrophobicContact CE2-CD2 3.43Å; Y395-L475 VanDerWaalsContact CE2-CD2 3.43Å; Y395-L475 HydrophobicContact CE2-CG 3.37Å; Y395-L475 HydrophobicContact CG-CD2 4.37Å; Y395-I478 HydrophobicContact CG-CD1 4.1Å
396	T	85.8	Confident	85.4	Confident	53 Å²	53	54.1 Å²	54.1	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-44.7	-179.5	-41.7	0	0	0	0	110.7	Y378 R392 R393 I398 V399 D400	Y378-T396 PolarHBondContact OH-OG1 2.96Å; R392-T396 PolarHBondContact O-N 3.47Å; R392-T396 PolarHBondContact O-OG1 3.4Å; R393-T396 PolarHBondContact O-N 2.88Å; R393-T396 VanDerWaalsContact O-N 3.09Å; T396-I398 VanDerWaalsContact C-N 3.35Å; T396-I398 PolarHBondContact O-N 3.47Å; T396-V399 PolarHBondContact O-N 3.37Å; T396-V399 VanDerWaalsContact O-N 3.17Å; T396-D400 PolarHBondContact O-N 3.39Å
397	E	88.7	Confident	85.6	Confident	101 Å²	101	55.6 Å²	55.6	47%	0.472	29%	0.288	S	S	.	.	H	α-helix	trans	-58.1	-43.4	174.4	-71	171	-173.6	0	0	112	R393 V399 D400 D401	R393-E397 WeakPolarHBondContact CG-OE1 3.27Å; R393-E397 WeakPolarHBondContact O-CG 3.23Å; R393-E397 PolarHBondContact O-N 3.27Å; E397-V399 VanDerWaalsContact C-N 3.35Å; E397-V399 PolarHBondContact O-N 3.48Å; E397-D400 PolarHBondContact O-N 3.06Å; E397-D401 WeakPolarHBondContact O-CB 3.22Å; E397-D401 VanDerWaalsContact O-CG 3.25Å; E397-D401 PolarHBondContact O-N 2.91Å
398	I	85.7	Confident	85.8	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.036	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-39.7	177.2	-67.2	164.3	0	0	0	111.6	V394 Y395 T396 D401 I402 R470 C471 A474	V394-I398 HydrophobicContact CG1-CD1 3.95Å; V394-I398 WeakPolarHBondContact O-CD1 3.41Å; V394-I398 VanDerWaalsContact O-CG1 3.26Å; V394-I398 WeakPolarHBondContact O-CG1 3.22Å; V394-I398 PolarHBondContact O-N 3.15Å; Y395-I398 PolarHBondContact O-N 2.96Å; T396-I398 VanDerWaalsContact C-N 3.35Å; T396-I398 PolarHBondContact O-N 3.47Å; I398-D401 PolarHBondContact O-N 3.14Å; I398-I402 HydrophobicContact CG2-CD1 4.09Å; I398-I402 VanDerWaalsContact O-CG1 3.26Å; I398-I402 WeakPolarHBondContact O-CG1 3.33Å; I398-I402 PolarHBondContact O-N 2.87Å; I398-R470 HydrophobicContact CD1-CB 4.25Å; I398-C471 HydrophobicContact CG2-CB 3.91Å; I398-A474 HydrophobicContact CD1-CB 4.26Å
399	V	86	Confident	85.8	Confident	39 Å²	39	56.3 Å²	56.3	24%	0.236	29%	0.291	C	S	.	.	H	α-helix	trans	-67.3	-40.7	177.9	173	0	0	0	0	110.9	Y395 T396 E397 I402 A403 F427	Y395-V399 HydrophobicContact CD1-CG2 4.41Å; Y395-V399 HydrophobicContact CE1-CG2 3.93Å; Y395-V399 HydrophobicContact CE2-CG2 4.07Å; Y395-V399 WeakPolarHBondContact O-CG2 3.42Å; Y395-V399 PolarHBondContact O-N 3.36Å; T396-V399 PolarHBondContact O-N 3.37Å; T396-V399 VanDerWaalsContact O-N 3.17Å; E397-V399 VanDerWaalsContact C-N 3.35Å; E397-V399 PolarHBondContact O-N 3.48Å; V399-I402 WeakPolarHBondContact O-CB 3.44Å; V399-I402 PolarHBondContact O-N 3.38Å; V399-A403 PolarHBondContact O-N 3.4Å; V399-F427 HydrophobicContact CG2-CZ 4.27Å
400	D	86.6	Confident	85.8	Confident	103 Å²	103	55 Å²	55	55%	0.551	29%	0.287	S	S	*	.	H	α-helix	trans	-65.6	-40.9	175.4	-70.8	-22.3	0	0	0	111.4	T396 E397 I402 A403 G404	T396-D400 PolarHBondContact O-N 3.39Å; E397-D400 PolarHBondContact O-N 3.06Å; D400-I402 VanDerWaalsContact C-N 3.33Å; D400-I402 PolarHBondContact O-N 3.03Å; D400-A403 PolarHBondContact O-N 2.97Å; D400-G404 PolarHBondContact O-N 2.67Å
401	D	87.4	Confident	85.7	Confident	92 Å²	92	57.8 Å²	57.8	49%	0.492	30%	0.298	S	S	.	.	H	α-helix	trans	-62.7	-38.9	174.1	-73	-24.9	0	0	0	111.5	E397 I398 G404 L405 M467	E397-D401 WeakPolarHBondContact O-CB 3.22Å; E397-D401 VanDerWaalsContact O-CG 3.25Å; E397-D401 PolarHBondContact O-N 2.91Å; I398-D401 PolarHBondContact O-N 3.14Å; D401-G404 PolarHBondContact O-N 2.81Å; D401-L405 WeakPolarHBondContact O-CB 3.26Å; D401-L405 PolarHBondContact O-N 3.33Å; D401-M467 HydrophobicContact CB-CE 3.27Å
402	I	85.8	Confident	85.6	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-63	-45.9	175.4	-74.2	167.1	0	0	0	110.1	I398 V399 D400 G404 L405 V406 T419 F427 L464 M467	I398-I402 HydrophobicContact CG2-CD1 4.09Å; I398-I402 VanDerWaalsContact O-CG1 3.26Å; I398-I402 WeakPolarHBondContact O-CG1 3.33Å; I398-I402 PolarHBondContact O-N 2.87Å; V399-I402 WeakPolarHBondContact O-CB 3.44Å; V399-I402 PolarHBondContact O-N 3.38Å; D400-I402 VanDerWaalsContact C-N 3.33Å; D400-I402 PolarHBondContact O-N 3.03Å; I402-G404 VanDerWaalsContact C-N 3.34Å; I402-L405 PolarHBondContact O-N 3.19Å; I402-V406 WeakPolarHBondContact O-CG2 3.44Å; I402-V406 PolarHBondContact O-N 2.98Å; I402-V406 VanDerWaalsContact O-N 3.1Å; I402-T419 HydrophobicContact CG2-CG2 4.34Å; I402-F427 HydrophobicContact CD1-CD2 4.06Å; I402-F427 HydrophobicContact CD1-CG 4.4Å; I402-F427 HydrophobicContact CG2-CB 4.21Å; I402-F427 HydrophobicContact CG2-CG 4.41Å; I402-L464 HydrophobicContact CB-CD1 4.44Å; I402-L464 HydrophobicContact CG1-CD1 4.18Å; I402-L464 HydrophobicContact CG2-CD1 3.62Å; I402-M467 HydrophobicContact CD1-CB 4.1Å; I402-M467 HydrophobicContact CG1-CB 3.82Å; I402-M467 HydrophobicContact CG1-CE 3.83Å; I402-M467 HydrophobicContact CG1-SD 4.1Å
403	A	86.1	Confident	85.3	Confident	32 Å²	32	65.1 Å²	65.1	26%	0.264	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-42.9	176.1	0	0	0	0	0	111.4	V399 D400 L405 V406 N407	V399-A403 PolarHBondContact O-N 3.4Å; D400-A403 PolarHBondContact O-N 2.97Å; A403-L405 PolarHBondContact O-N 3.38Å; A403-V406 PolarHBondContact O-N 3.33Å; A403-N407 VanDerWaalsContact O-CG 3.29Å; A403-N407 PolarHBondContact O-N 2.93Å; A403-N407 PolarHBondContact O-ND2 3.01Å
404	G	87.8	Confident	84.6	Confident	25 Å²	25	60 Å²	60	26%	0.258	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-41	175.3	0	0	0	0	0	113.2	D400 D401 I402 N407 K408	D400-G404 PolarHBondContact O-N 2.67Å; D401-G404 PolarHBondContact O-N 2.81Å; I402-G404 VanDerWaalsContact C-N 3.34Å; G404-N407 PolarHBondContact O-N 2.97Å; G404-K408 VanDerWaalsContact O-CG 3.31Å; G404-K408 WeakPolarHBondContact O-CG 3.38Å; G404-K408 PolarHBondContact O-N 3.13Å
405	L	86.4	Confident	84.3	Confident	37 Å²	37	58 Å²	58	19%	0.194	31%	0.314	C	S	.	.	H	α-helix	trans	-63.4	-44	175.8	-179.7	65.7	0	0	0	111.6	D401 I402 A403 N407 K408 L409 D463 M467	D401-L405 WeakPolarHBondContact O-CB 3.26Å; D401-L405 PolarHBondContact O-N 3.33Å; I402-L405 PolarHBondContact O-N 3.19Å; A403-L405 PolarHBondContact O-N 3.38Å; L405-N407 VanDerWaalsContact C-N 3.34Å; L405-K408 PolarHBondContact O-N 2.96Å; L405-L409 HydrophobicContact CD1-CD1 4.48Å; L405-L409 HydrophobicContact CG-CD1 4.19Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 2.95Å; L405-D463 HydrophobicContact CD2-CB 4.04Å; L405-M467 HydrophobicContact CD2-SD 3.88Å
406	V	85.4	Confident	83.9	Confident	2 Å²	2	60 Å²	60	1%	0.012	33%	0.331	C	S	.	.	H	α-helix	trans	-66.2	-38.2	178.6	175.4	0	0	0	0	111.5	I402 A403 L409 G410 L417 T419 V429	I402-V406 WeakPolarHBondContact O-CG2 3.44Å; I402-V406 PolarHBondContact O-N 2.98Å; I402-V406 VanDerWaalsContact O-N 3.1Å; A403-V406 PolarHBondContact O-N 3.33Å; V406-L409 PolarHBondContact O-N 3.43Å; V406-G410 PolarHBondContact O-N 2.9Å; V406-L417 HydrophobicContact CG1-CB 3.79Å; V406-T419 HydrophobicContact CB-CG2 3.74Å; V406-T419 HydrophobicContact CG1-CG2 4.05Å; V406-T419 HydrophobicContact CG2-CG2 3.59Å; V406-V429 HydrophobicContact CG1-CG1 4.1Å; V406-V429 HydrophobicContact CG2-CG2 3.8Å
407	N	85.9	Confident	83.7	Confident	98 Å²	98	58.4 Å²	58.4	52%	0.524	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-46.5	174.1	-69.6	-17.9	0	0	0	111.7	A403 G404 L405 L409 G410 E411	A403-N407 VanDerWaalsContact O-CG 3.29Å; A403-N407 PolarHBondContact O-N 2.93Å; A403-N407 PolarHBondContact O-ND2 3.01Å; G404-N407 PolarHBondContact O-N 2.97Å; L405-N407 VanDerWaalsContact C-N 3.34Å; N407-L409 VanDerWaalsContact C-N 3.31Å; N407-L409 PolarHBondContact O-N 2.77Å; N407-G410 WeakPolarHBondContact O-CA 3.37Å; N407-G410 PolarHBondContact O-N 2.61Å; N407-E411 PolarHBondContact O-N 3.12Å
408	K	86.2	Confident	83.4	Confident	147 Å²	147	61.1 Å²	61.1	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-59.4	-39.5	175.5	-73.7	172.5	-177.5	175.6	0	112.6	G404 L405 G410 E411 K412	G404-K408 VanDerWaalsContact O-CG 3.31Å; G404-K408 WeakPolarHBondContact O-CG 3.38Å; G404-K408 PolarHBondContact O-N 3.13Å; L405-K408 PolarHBondContact O-N 2.96Å; K408-G410 VanDerWaalsContact C-N 3.34Å; K408-E411 PolarHBondContact O-N 3.22Å; K408-K412 VanDerWaalsContact O-CB 3.29Å; K408-K412 WeakPolarHBondContact O-CB 3.23Å; K408-K412 PolarHBondContact O-N 3.26Å
409	L	83	Confident	83.3	Confident	13 Å²	13	63.9 Å²	63.9	7%	0.068	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-34.8	174.7	-71.9	170.3	0	0	0	111.8	L405 V406 N407 Y413 L417 T461	L405-L409 HydrophobicContact CD1-CD1 4.48Å; L405-L409 HydrophobicContact CG-CD1 4.19Å; L405-L409 VanDerWaalsContact O-CG 3.32Å; L405-L409 WeakPolarHBondContact O-CG 3.44Å; L405-L409 PolarHBondContact O-N 2.95Å; V406-L409 PolarHBondContact O-N 3.43Å; N407-L409 VanDerWaalsContact C-N 3.31Å; N407-L409 PolarHBondContact O-N 2.77Å; L409-Y413 HydrophobicContact CD2-CE2 4.14Å; L409-Y413 WeakPolarHBondContact O-CD2 3.43Å; L409-Y413 PolarHBondContact O-N 3.39Å; L409-L417 HydrophobicContact CB-CD1 3.85Å; L409-T461 HydrophobicContact CD1-CG2 3.89Å
410	G	82.7	Confident	83.1	Confident	12 Å²	12	63.3 Å²	63.3	12%	0.124	34%	0.341	C	S	.	.	H	α-helix	trans	-63.3	-45.2	173.1	0	0	0	0	0	111.9	V406 N407 K408 G414 F415	V406-G410 PolarHBondContact O-N 2.9Å; N407-G410 WeakPolarHBondContact O-CA 3.37Å; N407-G410 PolarHBondContact O-N 2.61Å; K408-G410 VanDerWaalsContact C-N 3.34Å; G410-G414 CarbonylContact O-C 3.52Å; G410-G414 VanDerWaalsContact O-CA 3.26Å; G410-G414 WeakPolarHBondContact O-CA 3.35Å; G410-G414 PolarHBondContact O-N 3.3Å; G410-F415 WeakPolarHBondContact CA-O 3.44Å; G410-F415 PolarHBondContact O-N 3.21Å; G410-F415 VanDerWaalsContact O-N 3.08Å
411	E	84.4	Confident	82.8	Confident	160 Å²	160	60.8 Å²	60.8	75%	0.748	33%	0.325	S	S	*	.	H	α-helix	trans	-66.9	-45.1	177	-70	175.5	178.8	0	0	112.6	N407 K408 Y413 G414	N407-E411 PolarHBondContact O-N 3.12Å; K408-E411 PolarHBondContact O-N 3.22Å; E411-Y413 VanDerWaalsContact C-N 3.3Å; E411-Y413 PolarHBondContact O-N 3.49Å; E411-G414 PolarHBondContact O-N 2.67Å
412	K	81.3	Confident	82.3	Confident	120 Å²	120	58 Å²	58	52%	0.522	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-36.9	-179	-178.7	-179.2	172	-166.5	0	113	K408 E446	K408-K412 VanDerWaalsContact O-CB 3.29Å; K408-K412 WeakPolarHBondContact O-CB 3.23Å; K408-K412 PolarHBondContact O-N 3.26Å; K412-E446 IonicContact NZ-OE1 3.92Å; K412-E446 PolarHBondContact NZ-OE1 2.98Å; K412-E446 IonicContact NZ-OE2 3.24Å; K412-E446 PolarHBondContact NZ-OE2 2.83Å
413	Y	77.6	Confident	81.5	Confident	62 Å²	62	63.3 Å²	63.3	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-110.3	-1.5	-176	-64.9	-70.8	0	0	0	114.1	L409 E411 F415 P444 E446 F447	L409-Y413 HydrophobicContact CD2-CE2 4.14Å; L409-Y413 WeakPolarHBondContact O-CD2 3.43Å; L409-Y413 PolarHBondContact O-N 3.39Å; E411-Y413 VanDerWaalsContact C-N 3.3Å; E411-Y413 PolarHBondContact O-N 3.49Å; Y413-F415 VanDerWaalsContact C-N 3.27Å; Y413-F415 VanDerWaalsContact CB-CD2 3.45Å; Y413-F415 HydrophobicContact CG-CD2 4.41Å; Y413-F415 HydrophobicContact CG-CE2 4.34Å; Y413-F415 PolarHBondContact O-N 3.43Å; Y413-P444 HydrophobicContact CD1-CB 4.46Å; Y413-P444 HydrophobicContact CD1-CG 3.65Å; Y413-P444 HydrophobicContact CD2-CG 4.49Å; Y413-P444 HydrophobicContact CE1-CB 3.84Å; Y413-P444 HydrophobicContact CE1-CG 3.52Å; Y413-P444 HydrophobicContact CE2-CB 4.45Å; Y413-P444 HydrophobicContact CE2-CG 4.39Å; Y413-P444 HydrophobicContact CG-CG 4.16Å; Y413-E446 PolarHBondContact OH-OE1 2.86Å; Y413-E446 PolarHBondContact OH-OE2 2.94Å; Y413-E446 VanDerWaalsContact OH-OE2 3.12Å; Y413-F447 HydrophobicContact CD2-CE2 4.5Å; Y413-F447 HydrophobicContact CD2-CZ 4.23Å; Y413-F447 HydrophobicContact CE2-CZ 4.45Å
414	G	72.9	Confident	80.8	Confident	66 Å²	66	67 Å²	67	68%	0.68	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	25	-177.9	0	0	0	0	0	114.4	G410 E411	G410-G414 CarbonylContact O-C 3.52Å; G410-G414 VanDerWaalsContact O-CA 3.26Å; G410-G414 WeakPolarHBondContact O-CA 3.35Å; G410-G414 PolarHBondContact O-N 3.3Å; E411-G414 PolarHBondContact O-N 2.67Å
415	F	78.4	Confident	80	Confident	17 Å²	17	70 Å²	70	8%	0.075	37%	0.373	C	S	.	.			trans	-101.9	142.4	-176.8	-63.2	-40.6	0	0	0	112.4	G410 Y413 L417 M431 V436 L438 P439 P444	G410-F415 WeakPolarHBondContact CA-O 3.44Å; G410-F415 PolarHBondContact O-N 3.21Å; G410-F415 VanDerWaalsContact O-N 3.08Å; Y413-F415 VanDerWaalsContact C-N 3.27Å; Y413-F415 VanDerWaalsContact CB-CD2 3.45Å; Y413-F415 HydrophobicContact CG-CD2 4.41Å; Y413-F415 HydrophobicContact CG-CE2 4.34Å; Y413-F415 PolarHBondContact O-N 3.43Å; F415-L417 VanDerWaalsContact C-N 3.3Å; F415-L417 HydrophobicContact CB-CD2 3.77Å; F415-L417 HydrophobicContact CB-CG 4.01Å; F415-L417 PolarHBondContact O-N 3.24Å; F415-M431 HydrophobicContact CB-SD 4.14Å; F415-M431 HydrophobicContact CD1-SD 4.46Å; F415-M431 HydrophobicContact CG-SD 4.17Å; F415-V436 HydrophobicContact CD1-CG1 3.6Å; F415-V436 HydrophobicContact CE1-CG1 3.78Å; F415-L438 HydrophobicContact CE1-CD2 4.29Å; F415-L438 HydrophobicContact CZ-CD2 4Å; F415-P439 HydrophobicContact CZ-CG 4.48Å; F415-P444 HydrophobicContact CE2-CG 4.42Å
416	P	77.6	Confident	79.6	Confident	73 Å²	73	68.9 Å²	68.9	47%	0.474	37%	0.37	S	S	.	.			trans	-77.6	78.9	175.5	32.2	-34.4	0	0	0	110.9	V436	P416-V436 HydrophobicContact CG-CG2 3.79Å
417	L	82.4	Confident	79.6	Confident	18 Å²	18	70.3 Å²	70.3	9%	0.094	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.5	-179	-55	-174.3	0	0	0	111.3	V406 L409 F415 V429 M431 F447 F459	V406-L417 HydrophobicContact CG1-CB 3.79Å; L409-L417 HydrophobicContact CB-CD1 3.85Å; F415-L417 VanDerWaalsContact C-N 3.3Å; F415-L417 HydrophobicContact CB-CD2 3.77Å; F415-L417 HydrophobicContact CB-CG 4.01Å; F415-L417 PolarHBondContact O-N 3.24Å; L417-V429 HydrophobicContact CB-CG1 3.79Å; L417-V429 HydrophobicContact CD1-CG1 4.03Å; L417-V429 HydrophobicContact CD2-CG1 3.91Å; L417-V429 HydrophobicContact CG-CG1 4.11Å; L417-M431 HydrophobicContact CD2-CB 4Å; L417-M431 HydrophobicContact CD2-CG 4.16Å; L417-M431 HydrophobicContact CD2-SD 4.27Å; L417-F447 HydrophobicContact CD1-CZ 4.44Å; L417-F459 HydrophobicContact CD2-CE2 4.1Å; L417-F459 HydrophobicContact CD2-CZ 3.57Å
418	R	82.1	Confident	79.6	Confident	158 Å²	158	66.4 Å²	66.4	60%	0.596	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	146	172.6	-66.5	-172.5	179.9	-164.2	-3.1	110.8	Q430	R418-Q430 PolarHBondContact N-O 2.97Å; R418-Q430 PolarHBondContact O-N 3.33Å
419	T	83.4	Confident	79.5	Confident	66 Å²	66	59.4 Å²	59.4	41%	0.405	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	124.7	168.2	44.5	0	0	0	0	109.7	I402 V406	I402-T419 HydrophobicContact CG2-CG2 4.34Å; V406-T419 HydrophobicContact CB-CG2 3.74Å; V406-T419 HydrophobicContact CG1-CG2 4.05Å; V406-T419 HydrophobicContact CG2-CG2 3.59Å
420	S	81.4	Confident	79.6	Confident	27 Å²	27	61.3 Å²	61.3	19%	0.189	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.4	174.7	-70.8	0	0	0	0	109.7	F427 F428 Q430	S420-F427 CarbonylContact O-C 3.56Å; S420-F427 WeakPolarHBondContact O-CA 3.48Å; S420-F428 VanDerWaalsContact CB-CZ 3.47Å; S420-F428 PolarHBondContact N-O 3.38Å; S420-F428 VanDerWaalsContact O-CD1 3.28Å; S420-F428 WeakPolarHBondContact O-CD1 3.05Å; S420-F428 PolarHBondContact O-N 3.15Å; S420-Q430 PolarHBondContact OG-OE1 2.82Å
421	F	79.8	Confident	79.6	Confident	50 Å²	50	60.9 Å²	60.9	22%	0.219	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142	-178.4	177.4	-88.3	0	0	0	111.5	L370 F427	L370-F421 HydrophobicContact CD2-CB 4.1Å; L370-F421 HydrophobicContact CD2-CD1 3.51Å; L370-F421 HydrophobicContact CD2-CE1 4.36Å; L370-F421 HydrophobicContact CD2-CG 4.12Å; F421-F427 HydrophobicContact CB-CD1 4.2Å; F421-F427 HydrophobicContact CB-CE1 4.26Å; F421-F427 HydrophobicContact CD2-CD1 4.14Å; F421-F427 AromaticContact CD2-CD2 3.99Å; F421-F427 HydrophobicContact CD2-CD2 3.99Å; F421-F427 HydrophobicContact CD2-CE1 4.15Å; F421-F427 AromaticContact CD2-CE2 3.99Å; F421-F427 HydrophobicContact CD2-CE2 3.99Å; F421-F427 HydrophobicContact CD2-CG 4.07Å; F421-F427 HydrophobicContact CD2-CZ 4.08Å; F421-F427 HydrophobicContact CE2-CD2 4.48Å; F421-F427 HydrophobicContact CE2-CE2 4.39Å
422	S	77.9	Confident	79.3	Confident	32 Å²	32	58.1 Å²	58.1	22%	0.224	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.5	173	178.3	0	0	0	0	110.7	S424 R425 G426	S422-S424 PolarHBondContact O-N 2.64Å; S422-S424 VanDerWaalsContact O-N 3.14Å; S422-R425 PolarHBondContact O-N 2.57Å; S422-G426 PolarHBondContact N-O 2.69Å; S422-G426 WeakPolarHBondContact O-CA 3.31Å; S422-G426 PolarHBondContact O-N 2.75Å
423	T	69	Low	78.6	Confident	115 Å²	115	55.3 Å²	55.3	71%	0.706	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30.9	-175.3	-38.8	0	0	0	0	113.8
424	S	70.6	Confident	77.8	Confident	109 Å²	109	57.8 Å²	57.8	76%	0.762	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-19.2	178.3	56.6	0	0	0	0	114.2	S422	S422-S424 PolarHBondContact O-N 2.64Å; S422-S424 VanDerWaalsContact O-N 3.14Å
425	R	70.8	Confident	76.9	Confident	88 Å²	88	58.4 Å²	58.4	33%	0.332	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-10.9	-172.1	-63.2	-174.8	-72.5	172.8	0.1	114.5	S422 T451	S422-R425 PolarHBondContact O-N 2.57Å; R425-T451 PolarHBondContact NH1-OG1 2.89Å
426	G	79.6	Confident	76	Confident	13 Å²	13	59.3 Å²	59.3	13%	0.134	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.7	-153.1	-170.6	0	0	0	0	0	112.1	S422	S422-G426 PolarHBondContact N-O 2.69Å; S422-G426 WeakPolarHBondContact O-CA 3.31Å; S422-G426 PolarHBondContact O-N 2.75Å
427	F	84.1	Confident	75.1	Confident	32 Å²	32	62 Å²	62	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.4	169.7	-66	-88.3	0	0	0	109.7	V399 I402 S420 F421 L464 N468	V399-F427 HydrophobicContact CG2-CZ 4.27Å; I402-F427 HydrophobicContact CD1-CD2 4.06Å; I402-F427 HydrophobicContact CD1-CG 4.4Å; I402-F427 HydrophobicContact CG2-CB 4.21Å; I402-F427 HydrophobicContact CG2-CG 4.41Å; S420-F427 CarbonylContact O-C 3.56Å; S420-F427 WeakPolarHBondContact O-CA 3.48Å; F421-F427 HydrophobicContact CB-CD1 4.2Å; F421-F427 HydrophobicContact CB-CE1 4.26Å; F421-F427 HydrophobicContact CD2-CD1 4.14Å; F421-F427 AromaticContact CD2-CD2 3.99Å; F421-F427 HydrophobicContact CD2-CD2 3.99Å; F421-F427 HydrophobicContact CD2-CE1 4.15Å; F421-F427 AromaticContact CD2-CE2 3.99Å; F421-F427 HydrophobicContact CD2-CE2 3.99Å; F421-F427 HydrophobicContact CD2-CG 4.07Å; F421-F427 HydrophobicContact CD2-CZ 4.08Å; F421-F427 HydrophobicContact CE2-CD2 4.48Å; F421-F427 HydrophobicContact CE2-CE2 4.39Å; F427-L464 HydrophobicContact CB-CD1 4.45Å; F427-L464 WeakPolarHBondContact O-CD2 3.34Å; F427-N468 VanDerWaalsContact CB-OD1 3.31Å; F427-N468 WeakPolarHBondContact CB-OD1 3.4Å; F427-N468 WeakPolarHBondContact CD2-OD1 3.32Å; F427-N468 PolarHBondContact N-OD1 2.97Å; F427-N468 PolarHBondContact O-ND2 2.89Å
428	F	85.8	Confident	74	Confident	17 Å²	17	63.5 Å²	63.5	8%	0.075	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	158.2	177.2	69.9	-83.4	0	0	0	110	S420 Q430 T460	S420-F428 VanDerWaalsContact CB-CZ 3.47Å; S420-F428 PolarHBondContact N-O 3.38Å; S420-F428 VanDerWaalsContact O-CD1 3.28Å; S420-F428 WeakPolarHBondContact O-CD1 3.05Å; S420-F428 PolarHBondContact O-N 3.15Å; F428-Q430 HydrophobicContact CE2-CB 4.07Å; F428-T460 HydrophobicContact CB-CG2 3.82Å
429	V	85.3	Confident	72.7	Confident	0 Å²	0	60 Å²	60	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.7	177.8	-172.2	0	0	0	0	108.7	V406 L417 G458 F459 L464	V406-V429 HydrophobicContact CG1-CG1 4.1Å; V406-V429 HydrophobicContact CG2-CG2 3.8Å; L417-V429 HydrophobicContact CB-CG1 3.79Å; L417-V429 HydrophobicContact CD1-CG1 4.03Å; L417-V429 HydrophobicContact CD2-CG1 3.91Å; L417-V429 HydrophobicContact CG-CG1 4.11Å; V429-G458 CarbonylContact O-C 3.57Å; V429-G458 VanDerWaalsContact O-CA 3.29Å; V429-G458 WeakPolarHBondContact O-CA 3.34Å; V429-F459 HydrophobicContact CB-CD2 3.68Å; V429-F459 HydrophobicContact CB-CE2 3.59Å; V429-F459 HydrophobicContact CB-CZ 4.39Å; V429-F459 WeakPolarHBondContact CB-O 3.22Å; V429-F459 HydrophobicContact CG1-CD2 4.05Å; V429-F459 HydrophobicContact CG1-CE2 3.4Å; V429-F459 HydrophobicContact CG1-CZ 3.9Å; V429-F459 HydrophobicContact CG2-CD2 4.37Å; V429-F459 HydrophobicContact CG2-CE2 4.38Å; V429-F459 PolarHBondContact N-O 3.5Å; V429-F459 PolarHBondContact O-N 3.11Å; V429-L464 HydrophobicContact CG2-CD2 3.9Å
430	Q	85.3	Confident	71	Confident	53 Å²	53	66.1 Å²	66.1	25%	0.248	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	131.4	174.9	-169.4	174	14.5	0	0	110.5	R418 S420 F428 S456 Y457	R418-Q430 PolarHBondContact N-O 2.97Å; R418-Q430 PolarHBondContact O-N 3.33Å; S420-Q430 PolarHBondContact OG-OE1 2.82Å; F428-Q430 HydrophobicContact CE2-CB 4.07Å; Q430-S456 PolarHBondContact NE2-OG 3.41Å; Q430-Y457 CarbonylContact C-O 3.49Å; Q430-Y457 WeakPolarHBondContact CA-O 3.06Å
431	M	82.8	Confident	69.9	Low	3 Å²	3	67.7 Å²	67.7	2%	0.015	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	129.5	176.5	-175.5	-179.8	73.2	0	0	109.4	F415 L417 V436 L443 S456 Y457 F459	F415-M431 HydrophobicContact CB-SD 4.14Å; F415-M431 HydrophobicContact CD1-SD 4.46Å; F415-M431 HydrophobicContact CG-SD 4.17Å; L417-M431 HydrophobicContact CD2-CB 4Å; L417-M431 HydrophobicContact CD2-CG 4.16Å; L417-M431 HydrophobicContact CD2-SD 4.27Å; M431-V436 HydrophobicContact SD-CG1 4.42Å; M431-L443 HydrophobicContact CE-CD2 4.4Å; M431-S456 CarbonylContact O-C 3.56Å; M431-S456 WeakPolarHBondContact O-CA 3.29Å; M431-S456 WeakPolarHBondContact O-CB 3.13Å; M431-Y457 HydrophobicContact CE-CD2 3.85Å; M431-Y457 HydrophobicContact CE-CG 4.34Å; M431-Y457 PolarHBondContact N-O 2.82Å; M431-Y457 PolarHBondContact O-N 3.41Å; M431-F459 HydrophobicContact CB-CE1 3.84Å; M431-F459 HydrophobicContact CB-CZ 4.05Å
432	K	77.9	Confident	69.1	Low	102 Å²	102	73.1 Å²	73.1	44%	0.443	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	145	172.9	-69.2	-172.5	177.1	-172.6	0	110.2	D434	K432-D434 VanDerWaalsContact C-N 3.32Å; K432-D434 PolarHBondContact O-N 3.09Å
433	L	67.1	Low	68.6	Low	61 Å²	61	73.7 Å²	73.7	32%	0.319	42%	0.423	S	S	.	.			trans	-85	1.6	-173.3	-102.9	156.4	0	0	0	114.4	G435 N455 Y457	L433-G435 PolarHBondContact O-N 2.83Å; L433-N455 WeakPolarHBondContact CB-OD1 3.2Å; L433-N455 PolarHBondContact N-O 2.9Å; L433-Y457 HydrophobicContact CD1-CD2 3.92Å; L433-Y457 HydrophobicContact CD1-CE2 3.62Å; L433-Y457 HydrophobicContact CD2-CD2 4.39Å; L433-Y457 HydrophobicContact CD2-CE2 3.86Å; L433-Y457 HydrophobicContact CG-CD2 3.93Å; L433-Y457 HydrophobicContact CG-CE2 3.8Å
434	D	59.9	Low	68.9	Low	114 Å²	114	69.2 Å²	69.2	61%	0.61	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	98.1	-176.2	-60.1	-27	0	0	0	110.8	K432 N455	K432-D434 VanDerWaalsContact C-N 3.32Å; K432-D434 PolarHBondContact O-N 3.09Å; D434-N455 PolarHBondContact OD1-ND2 3.2Å
435	G	55	Low	68.9	Low	78 Å²	78	70.1 Å²	70.1	80%	0.804	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	10.9	168.1	0	0	0	0	0	117.2	L433	L433-G435 PolarHBondContact O-N 2.83Å
436	V	58.8	Low	69.2	Low	36 Å²	36	70 Å²	70	22%	0.218	40%	0.402	C	S	.	.			trans	-91.3	117.3	-176.9	-177.5	0	0	0	0	111.7	F415 P416 M431	F415-V436 HydrophobicContact CD1-CG1 3.6Å; F415-V436 HydrophobicContact CE1-CG1 3.78Å; P416-V436 HydrophobicContact CG-CG2 3.79Å; M431-V436 HydrophobicContact SD-CG1 4.42Å
437	V	57.8	Low	69.3	Low	131 Å²	131	70.1 Å²	70.1	79%	0.794	40%	0.399	S	S	*	.			trans	-90.5	115.2	170.9	-175.6	0	0	0	0	108.7
438	L	60.2	Low	69	Low	48 Å²	48	72.1 Å²	72.1	25%	0.251	41%	0.41	S	S	.	.			trans	-74.3	126.2	176	-69.6	167	0	0	0	109.6	F415 E440 G441 L443	F415-L438 HydrophobicContact CE1-CD2 4.29Å; F415-L438 HydrophobicContact CZ-CD2 4Å; L438-E440 PolarHBondContact O-N 3.05Å; L438-G441 PolarHBondContact O-N 3.5Å; L438-L443 HydrophobicContact CD2-CD2 3.75Å; L438-L443 HydrophobicContact CD2-CG 4.38Å
439	P	53.5	Low	68.5	Low	86 Å²	86	78.9 Å²	78.9	56%	0.558	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-58.9	126.6	170.3	-10.9	23.2	0	0	0	108.8	F415 G441 K442	F415-P439 HydrophobicContact CZ-CG 4.48Å; P439-G441 PolarHBondContact O-N 3.35Å; P439-K442 PolarHBondContact O-N 3.08Å
440	E	48.7	Very low	68.2	Low	193 Å²	193	82 Å²	82	90%	0.902	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	59.9	12.2	179.1	-54	-176.7	169.8	0	0	116.4	L438 K442	L438-E440 PolarHBondContact O-N 3.05Å; E440-K442 PolarHBondContact O-N 3.12Å
441	G	58.8	Low	67.8	Low	60 Å²	60	82 Å²	82	62%	0.619	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	68.1	10.5	179.7	0	0	0	0	0	114.8	L438 P439	L438-G441 PolarHBondContact O-N 3.5Å; P439-G441 PolarHBondContact O-N 3.35Å
442	K	61.6	Low	67.5	Low	165 Å²	165	88.8 Å²	88.8	72%	0.717	49%	0.491	S	S	*	.	S	Bend	trans	-124.5	138.2	179.7	-70.5	-179.6	-178.1	173.1	0	111	P439 E440	P439-K442 PolarHBondContact O-N 3.08Å; E440-K442 PolarHBondContact O-N 3.12Å
443	L	69.4	Low	67.3	Low	44 Å²	44	89 Å²	89	23%	0.23	49%	0.494	C	S	.	.			trans	-69.9	145.7	171.1	-73.4	162.8	0	0	0	109.5	M431 L438 F447 V450	M431-L443 HydrophobicContact CE-CD2 4.4Å; L438-L443 HydrophobicContact CD2-CD2 3.75Å; L438-L443 HydrophobicContact CD2-CG 4.38Å; L443-F447 HydrophobicContact CB-CD2 4.37Å; L443-F447 HydrophobicContact CD2-CD2 4.48Å; L443-V450 HydrophobicContact CD1-CG1 3.73Å; L443-V450 HydrophobicContact CD1-CG2 4Å
444	P	73.6	Confident	67.3	Low	21 Å²	21	96.6 Å²	96.6	14%	0.136	52%	0.524	C	S	.	.			trans	-49.7	144	173.8	-30.4	34	0	0	0	113.1	Y413 F415 E446 F447	Y413-P444 HydrophobicContact CD1-CB 4.46Å; Y413-P444 HydrophobicContact CD1-CG 3.65Å; Y413-P444 HydrophobicContact CD2-CG 4.49Å; Y413-P444 HydrophobicContact CE1-CB 3.84Å; Y413-P444 HydrophobicContact CE1-CG 3.52Å; Y413-P444 HydrophobicContact CE2-CB 4.45Å; Y413-P444 HydrophobicContact CE2-CG 4.39Å; Y413-P444 HydrophobicContact CG-CG 4.16Å; F415-P444 HydrophobicContact CE2-CG 4.42Å; P444-E446 PolarHBondContact O-N 3.48Å; P444-E446 VanDerWaalsContact O-N 3.13Å; P444-F447 HydrophobicContact CB-CD2 3.85Å; P444-F447 HydrophobicContact CB-CE2 3.91Å; P444-F447 HydrophobicContact CG-CD2 3.97Å; P444-F447 HydrophobicContact CG-CE2 3.66Å; P444-F447 PolarHBondContact O-N 3.06Å; P444-F447 VanDerWaalsContact O-N 3.09Å
445	P	70.4	Confident	68	Low	127 Å²	127	95.2 Å²	95.2	83%	0.825	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.7	-178.8	28.3	-35.7	0	0	0	113.4	F447	P445-F447 PolarHBondContact O-N 3.42Å
446	E	77.1	Confident	69.2	Low	86 Å²	86	92 Å²	92	40%	0.402	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19	173.7	-66.8	-179.9	-166.3	0	0	112.5	K412 Y413 P444	K412-E446 IonicContact NZ-OE1 3.92Å; K412-E446 PolarHBondContact NZ-OE1 2.98Å; K412-E446 IonicContact NZ-OE2 3.24Å; K412-E446 PolarHBondContact NZ-OE2 2.83Å; Y413-E446 PolarHBondContact OH-OE1 2.86Å; Y413-E446 PolarHBondContact OH-OE2 2.94Å; Y413-E446 VanDerWaalsContact OH-OE2 3.12Å; P444-E446 PolarHBondContact O-N 3.48Å; P444-E446 VanDerWaalsContact O-N 3.13Å
447	F	81.6	Confident	70.3	Confident	15 Å²	15	92.2 Å²	92.2	7%	0.066	48%	0.48	C	S	.	.			trans	-91.2	125	177.3	-59.6	-54.7	0	0	0	112.3	Y413 L417 L443 P444 P445 F459 T461	Y413-F447 HydrophobicContact CD2-CE2 4.5Å; Y413-F447 HydrophobicContact CD2-CZ 4.23Å; Y413-F447 HydrophobicContact CE2-CZ 4.45Å; L417-F447 HydrophobicContact CD1-CZ 4.44Å; L443-F447 HydrophobicContact CB-CD2 4.37Å; L443-F447 HydrophobicContact CD2-CD2 4.48Å; P444-F447 HydrophobicContact CB-CD2 3.85Å; P444-F447 HydrophobicContact CB-CE2 3.91Å; P444-F447 HydrophobicContact CG-CD2 3.97Å; P444-F447 HydrophobicContact CG-CE2 3.66Å; P444-F447 PolarHBondContact O-N 3.06Å; P444-F447 VanDerWaalsContact O-N 3.09Å; P445-F447 PolarHBondContact O-N 3.42Å; F447-F459 HydrophobicContact CB-CB 4.26Å; F447-F459 HydrophobicContact CB-CD2 4.15Å; F447-F459 HydrophobicContact CB-CG 4.31Å; F447-F459 AromaticContact CD1-CD2 3.2Å; F447-F459 HydrophobicContact CD1-CD2 3.2Å; F447-F459 AromaticContact CD1-CE2 3.41Å; F447-F459 HydrophobicContact CD1-CE2 3.41Å; F447-F459 VanDerWaalsContact CD1-CE2 3.41Å; F447-F459 HydrophobicContact CD1-CG 4.16Å; F447-F459 HydrophobicContact CD1-CZ 4.49Å; F447-F459 HydrophobicContact CD2-CD2 4.47Å; F447-F459 HydrophobicContact CD2-CE2 4.36Å; F447-F459 AromaticContact CE1-CD2 3.62Å; F447-F459 HydrophobicContact CE1-CD2 3.62Å; F447-F459 AromaticContact CE1-CE2 3.29Å; F447-F459 HydrophobicContact CE1-CE2 3.29Å; F447-F459 HydrophobicContact CE1-CZ 4.31Å; F447-F459 HydrophobicContact CE2-CE2 4.24Å; F447-F459 AromaticContact CG-CD2 3.7Å; F447-F459 HydrophobicContact CG-CD2 3.7Å; F447-F459 AromaticContact CG-CE2 3.97Å; F447-F459 HydrophobicContact CG-CE2 3.97Å; F447-F459 HydrophobicContact CG-CG 4.26Å; F447-F459 HydrophobicContact CZ-CD2 4.39Å; F447-F459 AromaticContact CZ-CE2 3.74Å; F447-F459 HydrophobicContact CZ-CE2 3.74Å; F447-F459 HydrophobicContact CZ-CZ 4.36Å; F447-T461 HydrophobicContact CD1-CG2 3.82Å; F447-T461 HydrophobicContact CE1-CG2 4.08Å
448	I	79.5	Confident	71.5	Confident	74 Å²	74	86.2 Å²	86.2	38%	0.379	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153.8	-173.9	-42.5	176.3	0	0	0	108.6	T460 A462	I448-T460 WeakPolarHBondContact CA-O 3.36Å; I448-T460 PolarHBondContact N-O 2.91Å; I448-T460 PolarHBondContact O-N 3.5Å; I448-T460 PolarHBondContact O-OG1 3.44Å; I448-A462 HydrophobicContact CD1-CB 4.26Å
449	K	75	Confident	72.7	Confident	160 Å²	160	84 Å²	84	70%	0.696	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	54.6	52.4	178.5	-63.4	-176.2	179.2	179.1	0	113.3	T451	K449-T451 PolarHBondContact O-N 2.8Å
450	V	79.4	Confident	74.3	Confident	65 Å²	65	80.5 Å²	80.5	39%	0.394	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126	179.2	-173.7	0	0	0	0	110.6	L443 Y457 G458 F459	L443-V450 HydrophobicContact CD1-CG1 3.73Å; L443-V450 HydrophobicContact CD1-CG2 4Å; V450-Y457 HydrophobicContact CG1-CD1 3.85Å; V450-Y457 HydrophobicContact CG1-CE1 4.39Å; V450-G458 CarbonylContact C-O 3.56Å; V450-G458 WeakPolarHBondContact CA-O 3.32Å; V450-F459 HydrophobicContact CG2-CB 4.11Å
451	T	76.9	Confident	76.1	Confident	53 Å²	53	71.7 Å²	71.7	33%	0.325	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.8	175.8	51.4	0	0	0	0	109.2	R425 K449 G458	R425-T451 PolarHBondContact NH1-OG1 2.89Å; K449-T451 PolarHBondContact O-N 2.8Å; T451-G458 PolarHBondContact N-O 3.37Å; T451-G458 PolarHBondContact O-N 3.27Å; T451-G458 PolarHBondContact OG1-O 3Å
452	K	75.6	Confident	77.3	Confident	145 Å²	145	71.2 Å²	71.2	63%	0.63	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.3	178.7	-171	177.1	-177.2	172.5	0	109.8	Y457	K452-Y457 HydrophobicContact CB-CD1 4.13Å; K452-Y457 HydrophobicContact CB-CE1 3.81Å; K452-Y457 HydrophobicContact CD-CE1 3.86Å; K452-Y457 WeakPolarHBondContact CD-OH 3.45Å; K452-Y457 WeakPolarHBondContact CE-OH 3.23Å; K452-Y457 HydrophobicContact CG-CD1 4.22Å; K452-Y457 HydrophobicContact CG-CE1 3.69Å; K452-Y457 PolarHBondContact NZ-OH 2.85Å
453	Q	74.4	Confident	78.5	Confident	106 Å²	106	67.4 Å²	67.4	50%	0.495	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	156	167	-64.2	-174.1	0.8	0	0	109	N455 S456	Q453-N455 PolarHBondContact O-N 3.12Å; Q453-S456 PolarHBondContact N-O 3.48Å; Q453-S456 PolarHBondContact O-N 3.35Å
454	K	66.7	Low	79.3	Confident	221 Å²	221	65.4 Å²	65.4	96%	0.961	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.4	-34.2	-165.6	-75.4	-175.7	176.9	-179.5	0	116.1
455	N	73.1	Confident	79.8	Confident	85 Å²	85	68.1 Å²	68.1	46%	0.455	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.5	20.6	173.6	-157.4	25.1	0	0	0	114.9	L433 D434 Q453	L433-N455 WeakPolarHBondContact CB-OD1 3.2Å; L433-N455 PolarHBondContact N-O 2.9Å; D434-N455 PolarHBondContact OD1-ND2 3.2Å; Q453-N455 PolarHBondContact O-N 3.12Å
456	S	80.5	Confident	80.7	Confident	12 Å²	12	68.8 Å²	68.8	8%	0.084	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144.9	176.7	66.9	0	0	0	0	113.2	Q430 M431 Q453	Q430-S456 PolarHBondContact NE2-OG 3.41Å; M431-S456 CarbonylContact O-C 3.56Å; M431-S456 WeakPolarHBondContact O-CA 3.29Å; M431-S456 WeakPolarHBondContact O-CB 3.13Å; Q453-S456 PolarHBondContact N-O 3.48Å; Q453-S456 PolarHBondContact O-N 3.35Å
457	Y	81.9	Confident	81	Confident	40 Å²	40	66 Å²	66	16%	0.157	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.4	169	-77.5	-82.2	0	0	0	109.9	Q430 M431 L433 V450 K452	Q430-Y457 CarbonylContact C-O 3.49Å; Q430-Y457 WeakPolarHBondContact CA-O 3.06Å; M431-Y457 HydrophobicContact CE-CD2 3.85Å; M431-Y457 HydrophobicContact CE-CG 4.34Å; M431-Y457 PolarHBondContact N-O 2.82Å; M431-Y457 PolarHBondContact O-N 3.41Å; L433-Y457 HydrophobicContact CD1-CD2 3.92Å; L433-Y457 HydrophobicContact CD1-CE2 3.62Å; L433-Y457 HydrophobicContact CD2-CD2 4.39Å; L433-Y457 HydrophobicContact CD2-CE2 3.86Å; L433-Y457 HydrophobicContact CG-CD2 3.93Å; L433-Y457 HydrophobicContact CG-CE2 3.8Å; V450-Y457 HydrophobicContact CG1-CD1 3.85Å; V450-Y457 HydrophobicContact CG1-CE1 4.39Å; K452-Y457 HydrophobicContact CB-CD1 4.13Å; K452-Y457 HydrophobicContact CB-CE1 3.81Å; K452-Y457 HydrophobicContact CD-CE1 3.86Å; K452-Y457 WeakPolarHBondContact CD-OH 3.45Å; K452-Y457 WeakPolarHBondContact CE-OH 3.23Å; K452-Y457 HydrophobicContact CG-CD1 4.22Å; K452-Y457 HydrophobicContact CG-CE1 3.69Å; K452-Y457 PolarHBondContact NZ-OH 2.85Å
458	G	83.8	Confident	81.3	Confident	4 Å²	4	66.1 Å²	66.1	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128	169.9	0	0	0	0	0	110.3	V429 V450 T451	V429-G458 CarbonylContact O-C 3.57Å; V429-G458 VanDerWaalsContact O-CA 3.29Å; V429-G458 WeakPolarHBondContact O-CA 3.34Å; V450-G458 CarbonylContact C-O 3.56Å; V450-G458 WeakPolarHBondContact CA-O 3.32Å; T451-G458 PolarHBondContact N-O 3.37Å; T451-G458 PolarHBondContact O-N 3.27Å; T451-G458 PolarHBondContact OG1-O 3Å
459	F	86.1	Confident	81.6	Confident	1 Å²	1	64.5 Å²	64.5	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.2	179.7	44.1	-96.6	0	0	0	111.7	L417 V429 M431 F447 V450	L417-F459 HydrophobicContact CD2-CE2 4.1Å; L417-F459 HydrophobicContact CD2-CZ 3.57Å; V429-F459 HydrophobicContact CB-CD2 3.68Å; V429-F459 HydrophobicContact CB-CE2 3.59Å; V429-F459 HydrophobicContact CB-CZ 4.39Å; V429-F459 WeakPolarHBondContact CB-O 3.22Å; V429-F459 HydrophobicContact CG1-CD2 4.05Å; V429-F459 HydrophobicContact CG1-CE2 3.4Å; V429-F459 HydrophobicContact CG1-CZ 3.9Å; V429-F459 HydrophobicContact CG2-CD2 4.37Å; V429-F459 HydrophobicContact CG2-CE2 4.38Å; V429-F459 PolarHBondContact N-O 3.5Å; V429-F459 PolarHBondContact O-N 3.11Å; M431-F459 HydrophobicContact CB-CE1 3.84Å; M431-F459 HydrophobicContact CB-CZ 4.05Å; F447-F459 HydrophobicContact CB-CB 4.26Å; F447-F459 HydrophobicContact CB-CD2 4.15Å; F447-F459 HydrophobicContact CB-CG 4.31Å; F447-F459 AromaticContact CD1-CD2 3.2Å; F447-F459 HydrophobicContact CD1-CD2 3.2Å; F447-F459 AromaticContact CD1-CE2 3.41Å; F447-F459 HydrophobicContact CD1-CE2 3.41Å; F447-F459 VanDerWaalsContact CD1-CE2 3.41Å; F447-F459 HydrophobicContact CD1-CG 4.16Å; F447-F459 HydrophobicContact CD1-CZ 4.49Å; F447-F459 HydrophobicContact CD2-CD2 4.47Å; F447-F459 HydrophobicContact CD2-CE2 4.36Å; F447-F459 AromaticContact CE1-CD2 3.62Å; F447-F459 HydrophobicContact CE1-CD2 3.62Å; F447-F459 AromaticContact CE1-CE2 3.29Å; F447-F459 HydrophobicContact CE1-CE2 3.29Å; F447-F459 HydrophobicContact CE1-CZ 4.31Å; F447-F459 HydrophobicContact CE2-CE2 4.24Å; F447-F459 AromaticContact CG-CD2 3.7Å; F447-F459 HydrophobicContact CG-CD2 3.7Å; F447-F459 AromaticContact CG-CE2 3.97Å; F447-F459 HydrophobicContact CG-CE2 3.97Å; F447-F459 HydrophobicContact CG-CG 4.26Å; F447-F459 HydrophobicContact CZ-CD2 4.39Å; F447-F459 AromaticContact CZ-CE2 3.74Å; F447-F459 HydrophobicContact CZ-CE2 3.74Å; F447-F459 HydrophobicContact CZ-CZ 4.36Å; V450-F459 HydrophobicContact CG2-CB 4.11Å
460	T	85.3	Confident	82.1	Confident	13 Å²	13	63.6 Å²	63.6	8%	0.08	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.8	-179.8	58.8	0	0	0	0	110.7	F428 I448	F428-T460 HydrophobicContact CB-CG2 3.82Å; I448-T460 WeakPolarHBondContact CA-O 3.36Å; I448-T460 PolarHBondContact N-O 2.91Å; I448-T460 PolarHBondContact O-N 3.5Å; I448-T460 PolarHBondContact O-OG1 3.44Å
461	T	86.7	Confident	82.3	Confident	8 Å²	8	60.6 Å²	60.6	5%	0.049	30%	0.303	C	S	.	.			trans	-111.4	163.3	173.9	62	0	0	0	0	111	L409 F447 D463 L464 I465	L409-T461 HydrophobicContact CD1-CG2 3.89Å; F447-T461 HydrophobicContact CD1-CG2 3.82Å; F447-T461 HydrophobicContact CE1-CG2 4.08Å; T461-D463 VanDerWaalsContact C-N 3.26Å; T461-D463 PolarHBondContact O-N 2.97Å; T461-L464 PolarHBondContact O-N 2.98Å; T461-L464 VanDerWaalsContact OG1-CB 3.23Å; T461-L464 WeakPolarHBondContact OG1-CB 3.11Å; T461-L464 PolarHBondContact OG1-N 3.44Å; T461-I465 WeakPolarHBondContact O-CG1 3.24Å; T461-I465 PolarHBondContact O-N 2.69Å
462	A	85.3	Confident	82.6	Confident	50 Å²	50	61 Å²	61	41%	0.413	30%	0.303	S	S	.	.	H	α-helix	trans	-59	-39.1	176.8	0	0	0	0	0	112.1	I448 I465 K466	I448-A462 HydrophobicContact CD1-CB 4.26Å; A462-I465 PolarHBondContact O-N 3Å; A462-K466 PolarHBondContact O-N 3.39Å
463	D	85.8	Confident	83	Confident	86 Å²	86	60.6 Å²	60.6	46%	0.46	30%	0.304	S	S	.	.	H	α-helix	trans	-69.3	-40.3	177.1	-62.4	-34.3	0	0	0	111.8	L405 T461 I465 K466 M467	L405-D463 HydrophobicContact CD2-CB 4.04Å; T461-D463 VanDerWaalsContact C-N 3.26Å; T461-D463 PolarHBondContact O-N 2.97Å; D463-I465 VanDerWaalsContact C-N 3.3Å; D463-I465 PolarHBondContact O-N 3.24Å; D463-K466 PolarHBondContact O-N 3.36Å; D463-K466 VanDerWaalsContact O-N 3.15Å; D463-M467 VanDerWaalsContact O-CG 3.31Å; D463-M467 WeakPolarHBondContact O-CG 3.32Å; D463-M467 PolarHBondContact O-N 2.9Å
464	L	86	Confident	83.5	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-35.7	175.7	-171.5	64.9	0	0	0	112	I402 F427 V429 T461 M467 N468	I402-L464 HydrophobicContact CB-CD1 4.44Å; I402-L464 HydrophobicContact CG1-CD1 4.18Å; I402-L464 HydrophobicContact CG2-CD1 3.62Å; F427-L464 HydrophobicContact CB-CD1 4.45Å; F427-L464 WeakPolarHBondContact O-CD2 3.34Å; V429-L464 HydrophobicContact CG2-CD2 3.9Å; T461-L464 PolarHBondContact O-N 2.98Å; T461-L464 VanDerWaalsContact OG1-CB 3.23Å; T461-L464 WeakPolarHBondContact OG1-CB 3.11Å; T461-L464 PolarHBondContact OG1-N 3.44Å; L464-M467 PolarHBondContact O-N 3.36Å; L464-N468 VanDerWaalsContact O-CB 3.3Å; L464-N468 WeakPolarHBondContact O-CB 3.4Å; L464-N468 VanDerWaalsContact O-CG 3.29Å; L464-N468 PolarHBondContact O-N 3.44Å; L464-N468 PolarHBondContact O-ND2 2.78Å
465	I	85.6	Confident	84.2	Confident	78 Å²	78	45.8 Å²	45.8	40%	0.4	24%	0.24	S	C	.	.	H	α-helix	trans	-64.1	-43.1	174.1	-67.6	166.9	0	0	0	110.9	T461 A462 D463 N468 G469	T461-I465 WeakPolarHBondContact O-CG1 3.24Å; T461-I465 PolarHBondContact O-N 2.69Å; A462-I465 PolarHBondContact O-N 3Å; D463-I465 VanDerWaalsContact C-N 3.3Å; D463-I465 PolarHBondContact O-N 3.24Å; I465-N468 PolarHBondContact O-N 3.34Å; I465-G469 PolarHBondContact O-N 3.38Å
466	K	87.4	Confident	84.6	Confident	141 Å²	141	49.4 Å²	49.4	61%	0.613	25%	0.247	S	C	*	.	H	α-helix	trans	-63.9	-43.5	176.3	-69.2	174.5	-176	169.7	0	111.7	A462 D463 G469 R470	A462-K466 PolarHBondContact O-N 3.39Å; D463-K466 PolarHBondContact O-N 3.36Å; D463-K466 VanDerWaalsContact O-N 3.15Å; K466-G469 PolarHBondContact O-N 3.19Å; K466-R470 PolarHBondContact O-N 2.99Å
467	M	85.1	Confident	84.7	Confident	29 Å²	29	53.3 Å²	53.3	14%	0.143	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-38.2	177.9	-65.2	178.5	86.9	0	0	112.1	D401 I402 L405 D463 L464 G469 R470 C471	D401-M467 HydrophobicContact CB-CE 3.27Å; I402-M467 HydrophobicContact CD1-CB 4.1Å; I402-M467 HydrophobicContact CG1-CB 3.82Å; I402-M467 HydrophobicContact CG1-CE 3.83Å; I402-M467 HydrophobicContact CG1-SD 4.1Å; L405-M467 HydrophobicContact CD2-SD 3.88Å; D463-M467 VanDerWaalsContact O-CG 3.31Å; D463-M467 WeakPolarHBondContact O-CG 3.32Å; D463-M467 PolarHBondContact O-N 2.9Å; L464-M467 PolarHBondContact O-N 3.36Å; M467-G469 VanDerWaalsContact C-N 3.31Å; M467-G469 PolarHBondContact O-N 2.7Å; M467-R470 PolarHBondContact O-N 3.22Å; M467-C471 WeakPolarHBondContact O-CB 3.41Å; M467-C471 PolarHBondContact O-N 3.5Å
468	N	86.6	Confident	84.8	Confident	17 Å²	17	51.4 Å²	51.4	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-42.6	170.3	-83.2	-31.9	0	0	0	111.7	F427 L464 I465 C471 D472	F427-N468 VanDerWaalsContact CB-OD1 3.31Å; F427-N468 WeakPolarHBondContact CB-OD1 3.4Å; F427-N468 WeakPolarHBondContact CD2-OD1 3.32Å; F427-N468 PolarHBondContact N-OD1 2.97Å; F427-N468 PolarHBondContact O-ND2 2.89Å; L464-N468 VanDerWaalsContact O-CB 3.3Å; L464-N468 WeakPolarHBondContact O-CB 3.4Å; L464-N468 VanDerWaalsContact O-CG 3.29Å; L464-N468 PolarHBondContact O-N 3.44Å; L464-N468 PolarHBondContact O-ND2 2.78Å; I465-N468 PolarHBondContact O-N 3.34Å; N468-C471 WeakPolarHBondContact O-CB 3.38Å; N468-C471 PolarHBondContact O-N 3.33Å; N468-D472 PolarHBondContact O-N 3.43Å
469	G	85.7	Confident	84.6	Confident	40 Å²	40	51.7 Å²	51.7	41%	0.412	26%	0.257	S	S	.	.	H	α-helix	trans	-59.9	-47.5	175.1	0	0	0	0	0	112.9	I465 K466 M467 C471 D472 E473	I465-G469 PolarHBondContact O-N 3.38Å; K466-G469 PolarHBondContact O-N 3.19Å; M467-G469 VanDerWaalsContact C-N 3.31Å; M467-G469 PolarHBondContact O-N 2.7Å; G469-C471 VanDerWaalsContact C-N 3.32Å; G469-C471 PolarHBondContact O-N 3Å; G469-D472 PolarHBondContact O-N 2.9Å; G469-E473 PolarHBondContact O-N 3.21Å
470	R	85.8	Confident	84.3	Confident	141 Å²	141	55.1 Å²	55.1	53%	0.532	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-37.9	175.3	-68.6	179.3	66.4	-162.8	-3	112.5	I398 K466 M467 E473 A474	I398-R470 HydrophobicContact CD1-CB 4.25Å; K466-R470 PolarHBondContact O-N 2.99Å; M467-R470 PolarHBondContact O-N 3.22Å; R470-E473 PolarHBondContact O-N 3.34Å; R470-A474 WeakPolarHBondContact O-CB 3.44Å; R470-A474 PolarHBondContact O-N 3.09Å
471	C	84.6	Confident	84.1	Confident	2 Å²	2	56 Å²	56	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-64.1	-44.3	177.1	-173.8	0	0	0	0	111.4	Y395 I398 M467 N468 G469 A474 L475	Y395-C471 WeakPolarHBondContact CE2-SG 3.33Å; I398-C471 HydrophobicContact CG2-CB 3.91Å; M467-C471 WeakPolarHBondContact O-CB 3.41Å; M467-C471 PolarHBondContact O-N 3.5Å; N468-C471 WeakPolarHBondContact O-CB 3.38Å; N468-C471 PolarHBondContact O-N 3.33Å; G469-C471 VanDerWaalsContact C-N 3.32Å; G469-C471 PolarHBondContact O-N 3Å; C471-A474 PolarHBondContact O-N 3.43Å; C471-L475 WeakPolarHBondContact O-CB 3.32Å; C471-L475 WeakPolarHBondContact O-CG 2.77Å; C471-L475 PolarHBondContact O-N 2.95Å
472	D	82.9	Confident	83.9	Confident	61 Å²	61	55.7 Å²	55.7	33%	0.326	27%	0.274	S	S	.	.	H	α-helix	trans	-67.4	-33.9	176.2	-80.4	-28.9	0	0	0	112.6	R373 N468 G469 R476	R373-D472 IonicContact CZ-OD1 2.97Å; R373-D472 IonicContact NH1-OD1 2.91Å; R373-D472 IonicContact NH2-OD1 3.58Å; R373-D472 PolarHBondContact NH2-OD1 3.38Å; N468-D472 PolarHBondContact O-N 3.43Å; G469-D472 PolarHBondContact O-N 2.9Å; D472-R476 WeakPolarHBondContact O-CG 3.43Å; D472-R476 PolarHBondContact O-N 3.04Å
473	E	84.1	Confident	83.6	Confident	137 Å²	137	55.9 Å²	55.9	64%	0.64	27%	0.265	S	S	*	.	H	α-helix	trans	-66.2	-49.2	173.8	-172.2	171.4	-157.3	0	0	111.8	G469 R470 L475 R476 E477	G469-E473 PolarHBondContact O-N 3.21Å; R470-E473 PolarHBondContact O-N 3.34Å; E473-L475 VanDerWaalsContact C-N 3.26Å; E473-L475 PolarHBondContact O-N 3.49Å; E473-R476 PolarHBondContact O-N 3.48Å; E473-R476 VanDerWaalsContact O-N 3.12Å; E473-E477 PolarHBondContact O-N 2.93Å; E473-E477 VanDerWaalsContact O-N 3.11Å
474	A	85	Confident	83.4	Confident	13 Å²	13	54.3 Å²	54.3	11%	0.107	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-39.1	174.7	0	0	0	0	0	112	I398 R470 C471 E477 I478	I398-A474 HydrophobicContact CD1-CB 4.26Å; R470-A474 WeakPolarHBondContact O-CB 3.44Å; R470-A474 PolarHBondContact O-N 3.09Å; C471-A474 PolarHBondContact O-N 3.43Å; A474-E477 PolarHBondContact O-N 3.34Å; A474-I478 VanDerWaalsContact O-CG1 3.3Å; A474-I478 WeakPolarHBondContact O-CG1 3.46Å; A474-I478 PolarHBondContact O-N 3.41Å
475	L	81.3	Confident	83.3	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-66.8	-38.5	176.1	-78.5	174	0	0	0	113.5	Y395 C471 E473 E477 I478 F479	Y395-L475 HydrophobicContact CD2-CD1 4.39Å; Y395-L475 HydrophobicContact CD2-CD2 3.75Å; Y395-L475 HydrophobicContact CD2-CG 3.67Å; Y395-L475 HydrophobicContact CE1-CD2 4.44Å; Y395-L475 HydrophobicContact CE2-CD1 3.62Å; Y395-L475 HydrophobicContact CE2-CD2 3.43Å; Y395-L475 VanDerWaalsContact CE2-CD2 3.43Å; Y395-L475 HydrophobicContact CE2-CG 3.37Å; Y395-L475 HydrophobicContact CG-CD2 4.37Å; C471-L475 WeakPolarHBondContact O-CB 3.32Å; C471-L475 WeakPolarHBondContact O-CG 2.77Å; C471-L475 PolarHBondContact O-N 2.95Å; E473-L475 VanDerWaalsContact C-N 3.26Å; E473-L475 PolarHBondContact O-N 3.49Å; L475-E477 VanDerWaalsContact C-N 3.28Å; L475-E477 PolarHBondContact O-N 3.29Å; L475-I478 PolarHBondContact O-N 2.99Å; L475-F479 HydrophobicContact CB-CE2 4.45Å; L475-F479 WeakPolarHBondContact O-CD2 3.43Å; L475-F479 WeakPolarHBondContact O-CG 3.48Å; L475-F479 PolarHBondContact O-N 2.82Å
476	R	81.5	Confident	83	Confident	162 Å²	162	51 Å²	51	61%	0.611	24%	0.241	S	C	*	.	H	α-helix	trans	-62.2	-41	174.8	-73.6	174.6	-159.8	172.9	6.5	110.9	A301 D472 E473 F479 H480	A301-R476 HydrophobicContact CB-CG 4.4Å; D472-R476 WeakPolarHBondContact O-CG 3.43Å; D472-R476 PolarHBondContact O-N 3.04Å; E473-R476 PolarHBondContact O-N 3.48Å; E473-R476 VanDerWaalsContact O-N 3.12Å; R476-F479 PolarHBondContact O-N 3.32Å; R476-H480 WeakPolarHBondContact O-CB 3.23Å; R476-H480 PolarHBondContact O-N 3.47Å
477	E	82.5	Confident	82.5	Confident	94 Å²	94	45.9 Å²	45.9	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-64.1	-45.4	177.4	-168.5	58.9	-155.2	0	0	111.5	E473 A474 L475 F479 H480 M481	E473-E477 PolarHBondContact O-N 2.93Å; E473-E477 VanDerWaalsContact O-N 3.11Å; A474-E477 PolarHBondContact O-N 3.34Å; L475-E477 VanDerWaalsContact C-N 3.28Å; L475-E477 PolarHBondContact O-N 3.29Å; E477-F479 VanDerWaalsContact C-N 3.33Å; E477-F479 PolarHBondContact O-N 2.92Å; E477-H480 PolarHBondContact O-N 3.24Å; E477-M481 WeakPolarHBondContact O-CB 3.33Å; E477-M481 PolarHBondContact O-N 3.23Å; E477-M481 WeakPolarHBondContact OE1-CE 3.48Å
478	I	82.9	Confident	82.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-57.7	-45.3	174.8	-70	167.6	0	0	0	111.2	L388 A391 R392 Y395 A474 L475 S482	L388-I478 HydrophobicContact CD1-CB 4.42Å; L388-I478 HydrophobicContact CD1-CG2 3.9Å; A391-I478 HydrophobicContact CB-CG1 3.75Å; R392-I478 HydrophobicContact CG-CD1 4.16Å; R392-I478 HydrophobicContact CG-CG1 4.37Å; Y395-I478 HydrophobicContact CG-CD1 4.1Å; A474-I478 VanDerWaalsContact O-CG1 3.3Å; A474-I478 WeakPolarHBondContact O-CG1 3.46Å; A474-I478 PolarHBondContact O-N 3.41Å; L475-I478 PolarHBondContact O-N 2.99Å; I478-S482 VanDerWaalsContact O-CB 3.24Å; I478-S482 WeakPolarHBondContact O-CB 3.46Å; I478-S482 PolarHBondContact O-N 2.97Å; I478-S482 PolarHBondContact O-OG 3.46Å
479	F	80	Confident	82.1	Confident	10 Å²	10	50.2 Å²	50.2	4%	0.044	24%	0.243	C	C	.	.	H	α-helix	trans	-68.2	-38.7	179	-67.2	-36.3	0	0	0	112.7	A304 I308 K376 L475 R476 E477 Y483	A304-F479 HydrophobicContact CB-CB 4.41Å; I308-F479 HydrophobicContact CD1-CD1 4.1Å; K376-F479 HydrophobicContact CB-CE1 3.81Å; K376-F479 HydrophobicContact CB-CZ 4.37Å; L475-F479 HydrophobicContact CB-CE2 4.45Å; L475-F479 WeakPolarHBondContact O-CD2 3.43Å; L475-F479 WeakPolarHBondContact O-CG 3.48Å; L475-F479 PolarHBondContact O-N 2.82Å; R476-F479 PolarHBondContact O-N 3.32Å; E477-F479 VanDerWaalsContact C-N 3.33Å; E477-F479 PolarHBondContact O-N 2.92Å; F479-Y483 VanDerWaalsContact O-CB 3.28Å; F479-Y483 WeakPolarHBondContact O-CB 3.43Å; F479-Y483 PolarHBondContact O-N 3.47Å
480	H	80.1	Confident	81.5	Confident	72 Å²	72	48.7 Å²	48.7	33%	0.333	23%	0.225	S	C	.	.	H	α-helix	trans	-63.2	-48	175.8	-176.8	68.9	0	0	0	111.1	R476 E477 S482 Y483 V484	R476-H480 WeakPolarHBondContact O-CB 3.23Å; R476-H480 PolarHBondContact O-N 3.47Å; E477-H480 PolarHBondContact O-N 3.24Å; H480-S482 PolarHBondContact O-N 3.28Å; H480-Y483 WeakPolarHBondContact O-CB 3.39Å; H480-Y483 PolarHBondContact O-N 3.39Å; H480-V484 PolarHBondContact O-N 3.4Å; H480-V484 VanDerWaalsContact O-N 3.13Å
481	M	81.6	Confident	81.1	Confident	33 Å²	33	46.2 Å²	46.2	16%	0.163	23%	0.226	C	C	.	.	H	α-helix	trans	-66.7	-39.9	179.8	-156	63.2	62.9	0	0	112	F387 L388 E477 Y483 V484 V485	F387-M481 HydrophobicContact CB-CE 4.23Å; F387-M481 HydrophobicContact CB-CG 4.49Å; F387-M481 HydrophobicContact CB-SD 4.36Å; L388-M481 HydrophobicContact CB-CB 4.44Å; L388-M481 HydrophobicContact CB-CG 4.01Å; L388-M481 HydrophobicContact CD1-CB 4.16Å; E477-M481 WeakPolarHBondContact O-CB 3.33Å; E477-M481 PolarHBondContact O-N 3.23Å; E477-M481 WeakPolarHBondContact OE1-CE 3.48Å; M481-Y483 VanDerWaalsContact C-N 3.29Å; M481-Y483 PolarHBondContact O-N 2.9Å; M481-V484 PolarHBondContact O-N 2.99Å; M481-V485 PolarHBondContact O-N 3.5Å
482	S	81.8	Confident	80.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.2	-37.5	173.4	-60.9	0	0	0	0	112	L388 I478 H480 V485 I486	L388-S482 WeakPolarHBondContact CD1-OG 3.44Å; I478-S482 VanDerWaalsContact O-CB 3.24Å; I478-S482 WeakPolarHBondContact O-CB 3.46Å; I478-S482 PolarHBondContact O-N 2.97Å; I478-S482 PolarHBondContact O-OG 3.46Å; H480-S482 PolarHBondContact O-N 3.28Å; S482-V485 PolarHBondContact O-N 3.38Å; S482-I486 WeakPolarHBondContact O-CB 3.46Å; S482-I486 WeakPolarHBondContact O-CD1 3.35Å; S482-I486 WeakPolarHBondContact O-CG1 3.35Å; S482-I486 PolarHBondContact O-N 3.02Å
483	Y	79.9	Confident	80.4	Confident	54 Å²	54	45.8 Å²	45.8	21%	0.212	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-41.6	176.5	170	-95.3	0	0	0	112.5	A304 K307 F479 H480 M481 V485 I486 C487	A304-Y483 HydrophobicContact CB-CD2 3.95Å; A304-Y483 HydrophobicContact CB-CG 3.99Å; K307-Y483 HydrophobicContact CB-CD2 4.42Å; K307-Y483 HydrophobicContact CD-CD2 4.12Å; K307-Y483 HydrophobicContact CD-CE2 3.52Å; K307-Y483 HydrophobicContact CG-CE2 4.21Å; K307-Y483 PolarHBondContact NZ-OH 3.41Å; F479-Y483 VanDerWaalsContact O-CB 3.28Å; F479-Y483 WeakPolarHBondContact O-CB 3.43Å; F479-Y483 PolarHBondContact O-N 3.47Å; H480-Y483 WeakPolarHBondContact O-CB 3.39Å; H480-Y483 PolarHBondContact O-N 3.39Å; M481-Y483 VanDerWaalsContact C-N 3.29Å; M481-Y483 PolarHBondContact O-N 2.9Å; Y483-V485 PolarHBondContact O-N 2.96Å; Y483-I486 PolarHBondContact O-N 3.28Å; Y483-C487 WeakPolarHBondContact O-CB 3.36Å; Y483-C487 PolarHBondContact O-N 2.91Å
484	V	81.4	Confident	79.6	Confident	54 Å²	54	41.7 Å²	41.7	33%	0.327	21%	0.206	S	C	.	.	H	α-helix	trans	-59	-48.6	177.1	175.1	0	0	0	0	110.6	H480 M481 I486 C487 Q488	H480-V484 PolarHBondContact O-N 3.4Å; H480-V484 VanDerWaalsContact O-N 3.13Å; M481-V484 PolarHBondContact O-N 2.99Å; V484-I486 VanDerWaalsContact C-N 3.35Å; V484-I486 PolarHBondContact O-N 3.38Å; V484-C487 PolarHBondContact O-N 3.24Å; V484-Q488 WeakPolarHBondContact O-CG 3.48Å; V484-Q488 PolarHBondContact O-N 3.14Å; V484-Q488 VanDerWaalsContact O-N 3.12Å
485	V	82.6	Confident	78.9	Confident	7 Å²	7	47.9 Å²	47.9	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-60.6	-44.1	177.4	176.7	0	0	0	0	111.2	V358 V380 I384 N385 M481 S482 Y483 C487 Q488 L489	V358-V485 HydrophobicContact CG1-CG1 3.73Å; V380-V485 HydrophobicContact CG1-CG1 4.03Å; I384-V485 HydrophobicContact CG2-CG1 3.8Å; N385-V485 HydrophobicContact CB-CG2 4.1Å; M481-V485 PolarHBondContact O-N 3.5Å; S482-V485 PolarHBondContact O-N 3.38Å; Y483-V485 PolarHBondContact O-N 2.96Å; V485-C487 PolarHBondContact O-N 3.46Å; V485-Q488 WeakPolarHBondContact O-CB 3.08Å; V485-Q488 PolarHBondContact O-N 2.84Å; V485-L489 PolarHBondContact O-N 3.44Å
486	I	81.1	Confident	78.3	Confident	2 Å²	2	50 Å²	50	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-67.6	-36.1	178.7	-77.7	161.7	0	0	0	112.3	I308 V311 V380 S482 Y483 V484 Q488 L489 L490	I308-I486 HydrophobicContact CB-CD1 4.01Å; I308-I486 HydrophobicContact CD1-CD1 4.49Å; I308-I486 HydrophobicContact CG1-CD1 3.31Å; I308-I486 HydrophobicContact CG2-CD1 4.27Å; V311-I486 HydrophobicContact CG2-CG2 3.71Å; V380-I486 HydrophobicContact CG2-CD1 4.28Å; V380-I486 HydrophobicContact CG2-CG1 4.46Å; S482-I486 WeakPolarHBondContact O-CB 3.46Å; S482-I486 WeakPolarHBondContact O-CD1 3.35Å; S482-I486 WeakPolarHBondContact O-CG1 3.35Å; S482-I486 PolarHBondContact O-N 3.02Å; Y483-I486 PolarHBondContact O-N 3.28Å; V484-I486 VanDerWaalsContact C-N 3.35Å; V484-I486 PolarHBondContact O-N 3.38Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 2.64Å; I486-L489 PolarHBondContact O-N 3.22Å; I486-L490 HydrophobicContact CG2-CD1 3.97Å; I486-L490 HydrophobicContact CG2-CG 4.23Å; I486-L490 WeakPolarHBondContact O-CB 3.48Å; I486-L490 VanDerWaalsContact O-CG 3.31Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 3.38Å
487	C	76.4	Confident	77.7	Confident	33 Å²	33	43 Å²	43	22%	0.223	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-37.1	174.8	-93.5	0	0	0	0	112.1	Y483 V484 V485 L490 T491	Y483-C487 WeakPolarHBondContact O-CB 3.36Å; Y483-C487 PolarHBondContact O-N 2.91Å; V484-C487 PolarHBondContact O-N 3.24Å; V485-C487 PolarHBondContact O-N 3.46Å; C487-L490 PolarHBondContact O-N 3.01Å; C487-T491 PolarHBondContact O-N 3.15Å; C487-T491 VanDerWaalsContact O-N 3.16Å; C487-T491 PolarHBondContact O-OG1 3.27Å
488	Q	81	Confident	76.9	Confident	127 Å²	127	44.3 Å²	44.3	59%	0.593	22%	0.223	S	C	*	.	H	α-helix	trans	-64.4	-46.7	172.9	-68.8	172	-15.6	0	0	111.1	V484 V485 I486 L490 T491 T492	V484-Q488 WeakPolarHBondContact O-CG 3.48Å; V484-Q488 PolarHBondContact O-N 3.14Å; V484-Q488 VanDerWaalsContact O-N 3.12Å; V485-Q488 WeakPolarHBondContact O-CB 3.08Å; V485-Q488 PolarHBondContact O-N 2.84Å; I486-Q488 VanDerWaalsContact C-N 3.3Å; I486-Q488 PolarHBondContact O-N 2.64Å; Q488-L490 PolarHBondContact O-N 3.22Å; Q488-T491 WeakPolarHBondContact O-CB 3.4Å; Q488-T491 PolarHBondContact O-N 3.06Å; Q488-T492 PolarHBondContact O-N 2.89Å
489	L	82.3	Confident	76.4	Confident	11 Å²	11	44.4 Å²	44.4	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-46	174.4	175.9	66.4	0	0	0	112	V311 Q354 I355 V358 V485 I486 T491 T492 I493	V311-L489 HydrophobicContact CG1-CD2 4.18Å; Q354-L489 HydrophobicContact CB-CD1 4.09Å; I355-L489 HydrophobicContact CG1-CD2 4.33Å; V358-L489 HydrophobicContact CB-CD2 4Å; V358-L489 HydrophobicContact CG1-CD2 4.1Å; V358-L489 HydrophobicContact CG2-CD1 4.04Å; V358-L489 HydrophobicContact CG2-CD2 4.34Å; V485-L489 PolarHBondContact O-N 3.44Å; I486-L489 PolarHBondContact O-N 3.22Å; L489-T491 VanDerWaalsContact C-N 3.26Å; L489-T491 PolarHBondContact O-N 3.49Å; L489-T492 PolarHBondContact O-N 3.4Å; L489-T492 VanDerWaalsContact O-N 3.07Å; L489-T492 PolarHBondContact O-OG1 3.21Å; L489-I493 HydrophobicContact CD1-CD1 4.16Å; L489-I493 HydrophobicContact CD1-CG1 4.41Å; L489-I493 HydrophobicContact CD2-CD1 4.34Å; L489-I493 HydrophobicContact CG-CD1 3.84Å; L489-I493 HydrophobicContact CG-CG1 4.45Å; L489-I493 WeakPolarHBondContact O-CG1 3.32Å; L489-I493 PolarHBondContact O-N 3.38Å
490	L	73.7	Confident	76	Confident	8 Å²	8	44 Å²	44	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-34.8	-179.8	-74.9	173.8	0	0	0	112.6	L289 K307 V311 I486 C487 Q488 T492 I493 H494	L289-L490 HydrophobicContact CD2-CD2 3.68Å; K307-L490 HydrophobicContact CD-CD1 4.19Å; V311-L490 HydrophobicContact CG2-CD2 3.95Å; V311-L490 HydrophobicContact CG2-CG 4.29Å; I486-L490 HydrophobicContact CG2-CD1 3.97Å; I486-L490 HydrophobicContact CG2-CG 4.23Å; I486-L490 WeakPolarHBondContact O-CB 3.48Å; I486-L490 VanDerWaalsContact O-CG 3.31Å; I486-L490 WeakPolarHBondContact O-CG 3.39Å; I486-L490 PolarHBondContact O-N 3.38Å; C487-L490 PolarHBondContact O-N 3.01Å; Q488-L490 PolarHBondContact O-N 3.22Å; L490-T492 VanDerWaalsContact C-N 3.29Å; L490-T492 PolarHBondContact O-N 3.49Å; L490-I493 HydrophobicContact CD2-CD1 4.46Å; L490-I493 PolarHBondContact O-N 2.83Å; L490-H494 PolarHBondContact O-CD2 3.25Å; L490-H494 VanDerWaalsContact O-CD2 3.27Å; L490-H494 PolarHBondContact O-N 3.39Å
491	T	75.9	Confident	75.3	Confident	88 Å²	88	42 Å²	42	54%	0.54	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-42.4	174.5	-53.3	0	0	0	0	111.1	C487 Q488 L489 H494	C487-T491 PolarHBondContact O-N 3.15Å; C487-T491 VanDerWaalsContact O-N 3.16Å; C487-T491 PolarHBondContact O-OG1 3.27Å; Q488-T491 WeakPolarHBondContact O-CB 3.4Å; Q488-T491 PolarHBondContact O-N 3.06Å; L489-T491 VanDerWaalsContact C-N 3.26Å; L489-T491 PolarHBondContact O-N 3.49Å; T491-H494 PolarHBondContact O-N 2.92Å
492	T	78.8	Confident	74.8	Confident	54 Å²	54	45.9 Å²	45.9	33%	0.331	23%	0.227	S	C	.	.	H	α-helix	trans	-68.2	-37.8	175.8	59.9	0	0	0	0	112.5	Q488 L489 L490 H494 E495	Q488-T492 PolarHBondContact O-N 2.89Å; L489-T492 PolarHBondContact O-N 3.4Å; L489-T492 VanDerWaalsContact O-N 3.07Å; L489-T492 PolarHBondContact O-OG1 3.21Å; L490-T492 VanDerWaalsContact C-N 3.29Å; L490-T492 PolarHBondContact O-N 3.49Å; T492-H494 VanDerWaalsContact C-N 3.32Å; T492-H494 PolarHBondContact O-N 3.25Å; T492-E495 PolarHBondContact O-N 2.92Å
493	I	74.7	Confident	74.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-32.5	177.4	-63.5	173.9	0	0	0	111.5	L314 I351 I355 L489 L490 E495 H496 I497	L314-I493 HydrophobicContact CD2-CD1 4.24Å; L314-I493 HydrophobicContact CD2-CG2 4.26Å; I351-I493 HydrophobicContact CG2-CD1 4.27Å; I351-I493 HydrophobicContact CG2-CG1 4.14Å; I351-I493 HydrophobicContact CG2-CG2 4.02Å; I355-I493 HydrophobicContact CD1-CD1 4.01Å; I355-I493 HydrophobicContact CG1-CD1 3.76Å; L489-I493 HydrophobicContact CD1-CD1 4.16Å; L489-I493 HydrophobicContact CD1-CG1 4.41Å; L489-I493 HydrophobicContact CD2-CD1 4.34Å; L489-I493 HydrophobicContact CG-CD1 3.84Å; L489-I493 HydrophobicContact CG-CG1 4.45Å; L489-I493 WeakPolarHBondContact O-CG1 3.32Å; L489-I493 PolarHBondContact O-N 3.38Å; L490-I493 HydrophobicContact CD2-CD1 4.46Å; L490-I493 PolarHBondContact O-N 2.83Å; I493-E495 PolarHBondContact O-N 3.4Å; I493-H496 PolarHBondContact O-N 3.46Å; I493-I497 PolarHBondContact O-N 3.05Å; I493-I497 VanDerWaalsContact O-N 3.17Å
494	H	67.4	Low	74.7	Confident	50 Å²	50	43.6 Å²	43.6	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-27.7	-179.7	-72.7	169	0	0	0	113	L289 L490 T491 T492 H496 I497	L289-H494 PolarHBondContact O-NE2 3.05Å; L490-H494 PolarHBondContact O-CD2 3.25Å; L490-H494 VanDerWaalsContact O-CD2 3.27Å; L490-H494 PolarHBondContact O-N 3.39Å; T491-H494 PolarHBondContact O-N 2.92Å; T492-H494 VanDerWaalsContact C-N 3.32Å; T492-H494 PolarHBondContact O-N 3.25Å; H494-H496 PolarHBondContact O-N 3.4Å; H494-I497 VanDerWaalsContact O-CG2 3.27Å; H494-I497 WeakPolarHBondContact O-CG2 3.4Å
495	E	70.1	Confident	74.2	Confident	143 Å²	143	43.3 Å²	43.3	67%	0.668	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-26.5	176.2	-61.5	-178.3	176.9	0	0	112.6	T492 I493	T492-E495 PolarHBondContact O-N 2.92Å; I493-E495 PolarHBondContact O-N 3.4Å
496	H	69.2	Low	74.4	Confident	48 Å²	48	43 Å²	43	22%	0.222	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	3	-176.6	-60	-42	0	0	0	113.8	I351 I493 H494 H498 C499	I351-H496 HydrophobicContact CD1-CB 3.84Å; I351-H496 HydrophobicContact CG1-CB 4.07Å; I493-H496 PolarHBondContact O-N 3.46Å; H494-H496 PolarHBondContact O-N 3.4Å; H496-H498 PolarHBondContact O-N 3.13Å; H496-C499 PolarHBondContact O-N 3.45Å; H496-C499 PolarHBondContact O-SG 2.78Å
497	I	68.9	Low	74.7	Confident	15 Å²	15	43.1 Å²	43.1	8%	0.077	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-20.5	-171.3	-161.7	143.5	0	0	0	115.1	L286 V290 I493 H494 C499 L500 Y501	L286-I497 HydrophobicContact CD2-CD1 4.4Å; L286-I497 HydrophobicContact CD2-CG1 4.05Å; V290-I497 HydrophobicContact CG2-CD1 3.52Å; V290-I497 HydrophobicContact CG2-CG1 4.37Å; I493-I497 PolarHBondContact O-N 3.05Å; I493-I497 VanDerWaalsContact O-N 3.17Å; H494-I497 VanDerWaalsContact O-CG2 3.27Å; H494-I497 WeakPolarHBondContact O-CG2 3.4Å; I497-C499 VanDerWaalsContact C-N 3.28Å; I497-C499 PolarHBondContact O-N 3.02Å; I497-L500 HydrophobicContact CG1-CD1 4.31Å; I497-L500 WeakPolarHBondContact O-CB 3.46Å; I497-L500 PolarHBondContact O-N 3.13Å; I497-L500 VanDerWaalsContact O-N 3.15Å; I497-Y501 HydrophobicContact CG1-CE2 4.33Å
498	H	64.6	Low	74.9	Confident	121 Å²	121	42.1 Å²	42.1	56%	0.56	21%	0.208	S	C	*	.	H	α-helix	trans	-57.9	-36	177.9	-63.9	-75.5	0	0	0	113.4	H496 L500 Y501	H496-H498 PolarHBondContact O-N 3.13Å; H498-L500 VanDerWaalsContact C-N 3.26Å; H498-L500 PolarHBondContact O-N 2.88Å; H498-Y501 PolarHBondContact O-N 3.17Å
499	C	74.1	Confident	75.2	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	18%	0.183	C	C	.	.	H	α-helix	trans	-64.4	-33.5	178.5	64.7	0	0	0	0	111.9	R347 F348 H496 I497 Y501 K502 L503	R347-C499 HydrophobicContact CB-CB 4.31Å; F348-C499 HydrophobicContact CD1-CB 4.42Å; F348-C499 HydrophobicContact CE1-CB 3.8Å; F348-C499 HydrophobicContact CZ-CB 3.98Å; H496-C499 PolarHBondContact O-N 3.45Å; H496-C499 PolarHBondContact O-SG 2.78Å; I497-C499 VanDerWaalsContact C-N 3.28Å; I497-C499 PolarHBondContact O-N 3.02Å; C499-Y501 VanDerWaalsContact C-N 3.31Å; C499-Y501 PolarHBondContact O-N 3.3Å; C499-K502 WeakPolarHBondContact O-CB 3.45Å; C499-K502 PolarHBondContact O-N 3.22Å; C499-K502 VanDerWaalsContact O-N 3.15Å; C499-L503 PolarHBondContact O-N 3.32Å
500	L	70.4	Confident	75.7	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-68.9	-28.9	-179.2	-57.4	178	0	0	0	112.7	L286 L314 L318 F348 I497 H498 L503 S504	L286-L500 HydrophobicContact CD1-CB 4.19Å; L286-L500 HydrophobicContact CD2-CB 3.42Å; L286-L500 VanDerWaalsContact CD2-CB 3.42Å; L286-L500 HydrophobicContact CD2-CD1 3.73Å; L286-L500 HydrophobicContact CD2-CG 4.22Å; L286-L500 HydrophobicContact CG-CB 4.33Å; L314-L500 HydrophobicContact CD1-CD1 3.77Å; L314-L500 HydrophobicContact CD1-CD2 4.2Å; L318-L500 HydrophobicContact CD2-CD2 3.92Å; F348-L500 HydrophobicContact CD1-CD2 4.24Å; F348-L500 HydrophobicContact CE1-CD2 4.15Å; I497-L500 HydrophobicContact CG1-CD1 4.31Å; I497-L500 WeakPolarHBondContact O-CB 3.46Å; I497-L500 PolarHBondContact O-N 3.13Å; I497-L500 VanDerWaalsContact O-N 3.15Å; H498-L500 VanDerWaalsContact C-N 3.26Å; H498-L500 PolarHBondContact O-N 2.88Å; L500-L503 HydrophobicContact CD2-CD2 4.43Å; L500-L503 WeakPolarHBondContact O-CB 3.22Å; L500-L503 PolarHBondContact O-N 3.05Å; L500-S504 PolarHBondContact O-N 2.94Å
501	Y	65.6	Low	76.7	Confident	32 Å²	32	36 Å²	36	13%	0.125	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-40.1	172	-73.2	-72.4	0	0	0	111.7	L286 I497 H498 C499 L503 S504 D505	L286-Y501 HydrophobicContact CB-CE1 4.16Å; L286-Y501 HydrophobicContact CD1-CD1 3.76Å; L286-Y501 HydrophobicContact CD1-CE1 3.9Å; L286-Y501 HydrophobicContact CD1-CG 4.19Å; I497-Y501 HydrophobicContact CG1-CE2 4.33Å; H498-Y501 PolarHBondContact O-N 3.17Å; C499-Y501 VanDerWaalsContact C-N 3.31Å; C499-Y501 PolarHBondContact O-N 3.3Å; Y501-L503 VanDerWaalsContact C-N 3.31Å; Y501-S504 PolarHBondContact O-N 2.86Å; Y501-D505 PolarHBondContact O-N 3.16Å
502	K	71.8	Confident	77.5	Confident	113 Å²	113	31.8 Å²	31.8	49%	0.491	15%	0.154	S	C	.	.	H	α-helix	trans	-64.9	-38.2	173.9	-63.4	-172.3	176.6	-171.2	0	111.4	T342 C499 D505 T506	T342-K502 HydrophobicContact CG2-CB 3.86Å; T342-K502 HydrophobicContact CG2-CD 4.19Å; C499-K502 WeakPolarHBondContact O-CB 3.45Å; C499-K502 PolarHBondContact O-N 3.22Å; C499-K502 VanDerWaalsContact O-N 3.15Å; K502-D505 PolarHBondContact O-N 3.22Å; K502-T506 WeakPolarHBondContact O-CB 3.49Å; K502-T506 PolarHBondContact O-N 3.29Å; K502-T506 PolarHBondContact O-OG1 2.68Å
503	L	81.8	Confident	78.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.9	-45.9	173.3	-180	64.2	0	0	0	111.5	I282 T317 V321 L343 F348 C499 L500 Y501 D505 T506 V507	I282-L503 HydrophobicContact CD1-CD2 4.4Å; I282-L503 HydrophobicContact CD1-CG 4.15Å; T317-L503 HydrophobicContact CG2-CD2 4.06Å; V321-L503 HydrophobicContact CG2-CD1 3.95Å; V321-L503 HydrophobicContact CG2-CD2 3.79Å; L343-L503 HydrophobicContact CD2-CD1 3.44Å; L343-L503 VanDerWaalsContact CD2-CD1 3.44Å; F348-L503 HydrophobicContact CE1-CB 3.94Å; F348-L503 HydrophobicContact CE1-CD2 4.13Å; F348-L503 HydrophobicContact CZ-CB 3.99Å; C499-L503 PolarHBondContact O-N 3.32Å; L500-L503 HydrophobicContact CD2-CD2 4.43Å; L500-L503 WeakPolarHBondContact O-CB 3.22Å; L500-L503 PolarHBondContact O-N 3.05Å; Y501-L503 VanDerWaalsContact C-N 3.31Å; L503-D505 PolarHBondContact O-N 2.91Å; L503-T506 PolarHBondContact O-N 3.27Å; L503-V507 HydrophobicContact CD1-CG2 3.93Å; L503-V507 HydrophobicContact CG-CG2 4.33Å; L503-V507 WeakPolarHBondContact O-CB 3.3Å; L503-V507 WeakPolarHBondContact O-CG2 3.48Å; L503-V507 PolarHBondContact O-N 3.37Å
504	S	76.5	Confident	79.2	Confident	6 Å²	6	29.4 Å²	29.4	4%	0.042	14%	0.139	C	C	.	.	H	α-helix	trans	-60	-44.9	177.3	-162.7	0	0	0	0	112.4	D283 L500 Y501 S508	D283-S504 WeakPolarHBondContact OD1-CB 3.03Å; D283-S504 PolarHBondContact OD1-OG 3.45Å; L500-S504 PolarHBondContact O-N 2.94Å; Y501-S504 PolarHBondContact O-N 2.86Å; S504-S508 VanDerWaalsContact O-CB 3.3Å; S504-S508 WeakPolarHBondContact O-CB 3.4Å; S504-S508 PolarHBondContact O-N 3.2Å; S504-S508 PolarHBondContact O-OG 3.36Å
505	D	72.5	Confident	80.6	Confident	48 Å²	48	27.1 Å²	27.1	26%	0.257	13%	0.129	S	C	.	.	H	α-helix	trans	-62.8	-44.7	176.3	-172.6	57.1	0	0	0	111.4	R237 Y501 K502 L503 S508 M509	R237-D505 IonicContact CZ-OD1 3.44Å; R237-D505 VanDerWaalsContact CZ-OD1 3.24Å; R237-D505 PolarHBondContact NH1-O 2.93Å; R237-D505 IonicContact NH1-OD1 2.64Å; R237-D505 PolarHBondContact NH1-OD1 3.23Å; R237-D505 IonicContact NH2-OD1 2.84Å; R237-D505 PolarHBondContact NH2-OD1 2.92Å; R237-D505 IonicContact NH2-OD2 3.65Å; Y501-D505 PolarHBondContact O-N 3.16Å; K502-D505 PolarHBondContact O-N 3.22Å; L503-D505 PolarHBondContact O-N 2.91Å; D505-S508 PolarHBondContact O-N 3.15Å; D505-S508 PolarHBondContact O-OG 2.89Å; D505-M509 PolarHBondContact O-N 3.46Å
506	T	85.2	Confident	81.8	Confident	2 Å²	2	20.4 Å²	20.4	1%	0.012	10%	0.097	C	C	.	.	H	α-helix	trans	-61.9	-51.6	178.6	-58.8	0	0	0	0	111.7	Y339 L343 K502 L503 S508 M509 L510	Y339-T506 HydrophobicContact CD1-CG2 3.64Å; Y339-T506 HydrophobicContact CD2-CG2 4.42Å; Y339-T506 HydrophobicContact CE1-CG2 4.44Å; Y339-T506 HydrophobicContact CG-CG2 3.66Å; L343-T506 HydrophobicContact CD1-CG2 4.39Å; L343-T506 HydrophobicContact CD2-CG2 4.42Å; L343-T506 HydrophobicContact CG-CG2 4.39Å; K502-T506 WeakPolarHBondContact O-CB 3.49Å; K502-T506 PolarHBondContact O-N 3.29Å; K502-T506 PolarHBondContact O-OG1 2.68Å; L503-T506 PolarHBondContact O-N 3.27Å; T506-S508 PolarHBondContact O-N 3.39Å; T506-M509 PolarHBondContact O-N 3.03Å; T506-L510 HydrophobicContact CG2-CD1 3.79Å; T506-L510 HydrophobicContact CG2-CG 4.39Å; T506-L510 WeakPolarHBondContact O-CB 3.46Å; T506-L510 VanDerWaalsContact O-CG 3.29Å; T506-L510 WeakPolarHBondContact O-CG 3.28Å; T506-L510 PolarHBondContact O-N 2.92Å
507	V	88.4	Confident	83	Confident	4 Å²	4	18.1 Å²	18.1	2%	0.024	9%	0.086	C	C	.	.	H	α-helix	trans	-62.8	-42.6	-179.5	172.8	0	0	0	0	110.9	T231 F279 I282 L324 L503 L510 D511	T231-V507 HydrophobicContact CG2-CG1 4.3Å; F279-V507 HydrophobicContact CB-CG1 4.29Å; F279-V507 HydrophobicContact CD1-CG1 4.34Å; F279-V507 HydrophobicContact CD1-CG2 4.17Å; F279-V507 HydrophobicContact CE1-CG2 4.02Å; F279-V507 HydrophobicContact CG-CG1 4.18Å; F279-V507 HydrophobicContact CZ-CG2 4.36Å; I282-V507 HydrophobicContact CD1-CB 4.18Å; I282-V507 HydrophobicContact CD1-CG1 4.4Å; I282-V507 HydrophobicContact CD1-CG2 4.04Å; L324-V507 HydrophobicContact CD2-CG2 4.15Å; L503-V507 HydrophobicContact CD1-CG2 3.93Å; L503-V507 HydrophobicContact CG-CG2 4.33Å; L503-V507 WeakPolarHBondContact O-CB 3.3Å; L503-V507 WeakPolarHBondContact O-CG2 3.48Å; L503-V507 PolarHBondContact O-N 3.37Å; V507-L510 PolarHBondContact O-N 3.12Å; V507-D511 VanDerWaalsContact O-CB 3.26Å; V507-D511 WeakPolarHBondContact O-CB 3.31Å; V507-D511 PolarHBondContact O-N 3.11Å
508	S	80.8	Confident	84.2	Confident	11 Å²	11	18.9 Å²	18.9	8%	0.077	9%	0.091	C	C	.	.	H	α-helix	trans	-67.1	-35.4	178.3	61.9	0	0	0	0	113.3	R237 S504 D505 T506 M512	R237-S508 PolarHBondContact NH1-OG 3.26Å; S504-S508 VanDerWaalsContact O-CB 3.3Å; S504-S508 WeakPolarHBondContact O-CB 3.4Å; S504-S508 PolarHBondContact O-N 3.2Å; S504-S508 PolarHBondContact O-OG 3.36Å; D505-S508 PolarHBondContact O-N 3.15Å; D505-S508 PolarHBondContact O-OG 2.89Å; T506-S508 PolarHBondContact O-N 3.39Å; S508-M512 WeakPolarHBondContact O-CB 3.28Å; S508-M512 PolarHBondContact O-N 2.91Å; S508-M512 VanDerWaalsContact O-N 3.14Å
509	M	86	Confident	85.6	Confident	12 Å²	12	13.3 Å²	13.3	6%	0.059	7%	0.065	C	C	.	.	H	α-helix	trans	-68.9	-48.2	173.5	-171.5	69.2	89.8	0	0	111.3	R237 Y339 D505 T506 D511 M512 L513	R237-M509 VanDerWaalsContact CZ-CE 3.45Å; R237-M509 PolarHBondContact NE-SD 2.87Å; Y339-M509 HydrophobicContact CE2-CB 4Å; Y339-M509 HydrophobicContact CE2-CG 3.84Å; Y339-M509 WeakPolarHBondContact OH-CB 3.3Å; Y339-M509 VanDerWaalsContact OH-CG 3.26Å; Y339-M509 WeakPolarHBondContact OH-CG 3.49Å; D505-M509 PolarHBondContact O-N 3.46Å; T506-M509 PolarHBondContact O-N 3.03Å; M509-D511 VanDerWaalsContact C-N 3.29Å; M509-D511 PolarHBondContact O-N 3.38Å; M509-M512 WeakPolarHBondContact O-CB 3.42Å; M509-M512 PolarHBondContact O-N 3.32Å; M509-M512 VanDerWaalsContact O-N 3.15Å; M509-M512 HydrophobicContact SD-CE 3.44Å; M509-M512 WeakPolarHBondContact SD-CE 3.28Å; M509-M512 HydrophobicContact SD-SD 4.47Å; M509-L513 HydrophobicContact CG-CD1 3.96Å; M509-L513 HydrophobicContact CG-CG 4.24Å; M509-L513 WeakPolarHBondContact O-CG 3.48Å; M509-L513 PolarHBondContact O-N 3.48Å
510	L	93.8	Very high	86.4	Confident	4 Å²	4	13.9 Å²	13.9	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-59	-42.3	179.7	-71.4	171.2	0	0	0	111.4	I276 L324 L328 L336 Y339 T506 V507 L513 L514	I276-L510 HydrophobicContact CD1-CB 3.84Å; L324-L510 HydrophobicContact CD1-CD1 4.44Å; L324-L510 HydrophobicContact CD2-CD1 4.39Å; L328-L510 HydrophobicContact CD1-CD1 3.86Å; L328-L510 HydrophobicContact CD2-CD2 4.32Å; L336-L510 HydrophobicContact CD2-CD2 3.47Å; L336-L510 VanDerWaalsContact CD2-CD2 3.47Å; Y339-L510 HydrophobicContact CD2-CD2 3.89Å; Y339-L510 HydrophobicContact CD2-CG 4.15Å; T506-L510 HydrophobicContact CG2-CD1 3.79Å; T506-L510 HydrophobicContact CG2-CG 4.39Å; T506-L510 WeakPolarHBondContact O-CB 3.46Å; T506-L510 VanDerWaalsContact O-CG 3.29Å; T506-L510 WeakPolarHBondContact O-CG 3.28Å; T506-L510 PolarHBondContact O-N 2.92Å; V507-L510 PolarHBondContact O-N 3.12Å; L510-L513 PolarHBondContact O-N 2.86Å; L510-L514 VanDerWaalsContact O-CB 3.24Å; L510-L514 WeakPolarHBondContact O-CB 3.16Å; L510-L514 PolarHBondContact O-N 3.13Å
511	D	93.4	Very high	87.4	Confident	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-64.4	-40	176.4	-170.5	24.3	0	0	0	112.1	T229 K230 T231 I276 V507 M509 S515	T229-D511 WeakPolarHBondContact CA-OD1 3.34Å; T229-D511 WeakPolarHBondContact CB-OD2 3.48Å; K230-D511 PolarHBondContact N-OD1 3.15Å; K230-D511 PolarHBondContact N-OD2 2.82Å; T231-D511 WeakPolarHBondContact CA-OD2 3.47Å; T231-D511 VanDerWaalsContact CB-OD2 3.26Å; T231-D511 WeakPolarHBondContact CB-OD2 3.45Å; T231-D511 PolarHBondContact N-OD2 2.97Å; T231-D511 PolarHBondContact OG1-OD2 3.31Å; I276-D511 HydrophobicContact CG2-CB 3.8Å; V507-D511 VanDerWaalsContact O-CB 3.26Å; V507-D511 WeakPolarHBondContact O-CB 3.31Å; V507-D511 PolarHBondContact O-N 3.11Å; M509-D511 VanDerWaalsContact C-N 3.29Å; M509-D511 PolarHBondContact O-N 3.38Å; D511-S515 VanDerWaalsContact O-CB 3.27Å; D511-S515 WeakPolarHBondContact O-CB 3.29Å; D511-S515 PolarHBondContact O-N 3.44Å
512	M	92.9	Very high	88.4	Confident	1 Å²	1	21 Å²	21	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-63	-47.6	173.5	-174.9	-170.7	84.5	0	0	111.7	R237 L238 N241 S508 M509 S515 L516	R237-M512 HydrophobicContact CB-SD 4.41Å; R237-M512 HydrophobicContact CG-SD 3.88Å; L238-M512 HydrophobicContact CB-CG 4.01Å; L238-M512 HydrophobicContact CD1-CG 4.01Å; N241-M512 HydrophobicContact CB-SD 4.26Å; S508-M512 WeakPolarHBondContact O-CB 3.28Å; S508-M512 PolarHBondContact O-N 2.91Å; S508-M512 VanDerWaalsContact O-N 3.14Å; M509-M512 WeakPolarHBondContact O-CB 3.42Å; M509-M512 PolarHBondContact O-N 3.32Å; M509-M512 VanDerWaalsContact O-N 3.15Å; M509-M512 HydrophobicContact SD-CE 3.44Å; M509-M512 WeakPolarHBondContact SD-CE 3.28Å; M509-M512 HydrophobicContact SD-SD 4.47Å; M512-S515 VanDerWaalsContact O-CB 3.31Å; M512-S515 WeakPolarHBondContact O-CB 3.36Å; M512-S515 PolarHBondContact O-N 2.97Å; M512-L516 WeakPolarHBondContact O-CG 3.42Å; M512-L516 PolarHBondContact O-N 2.95Å
513	L	95.3	Very high	89	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-64.3	-41.2	179.3	-67.3	173.1	0	0	0	111.7	R255 A258 I259 L262 L335 M509 L510 S515 L516 A517	R255-L513 HydrophobicContact CB-CD2 4.05Å; R255-L513 HydrophobicContact CG-CD2 4.19Å; A258-L513 HydrophobicContact CB-CD1 4.16Å; I259-L513 HydrophobicContact CD1-CD2 4.37Å; I259-L513 HydrophobicContact CG1-CD2 4.16Å; L262-L513 HydrophobicContact CD1-CB 4.31Å; L335-L513 HydrophobicContact CD2-CD1 3.57Å; M509-L513 HydrophobicContact CG-CD1 3.96Å; M509-L513 HydrophobicContact CG-CG 4.24Å; M509-L513 WeakPolarHBondContact O-CG 3.48Å; M509-L513 PolarHBondContact O-N 3.48Å; L510-L513 PolarHBondContact O-N 2.86Å; L513-S515 VanDerWaalsContact C-N 3.3Å; L513-S515 PolarHBondContact O-N 3.29Å; L513-L516 PolarHBondContact O-N 3.47Å; L513-A517 WeakPolarHBondContact O-CB 3.22Å; L513-A517 PolarHBondContact O-N 2.95Å
514	L	95.3	Very high	89.3	Confident	4 Å²	4	22.7 Å²	22.7	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-62.3	-39.8	174.6	-176.7	72.1	0	0	0	111.4	F269 L272 N273 I276 L510 A517 N518	F269-L514 HydrophobicContact CD2-CD1 3.48Å; F269-L514 VanDerWaalsContact CD2-CD1 3.48Å; F269-L514 HydrophobicContact CE2-CD1 3.54Å; F269-L514 HydrophobicContact CE2-CG 4.42Å; F269-L514 HydrophobicContact CG-CD1 4.21Å; F269-L514 HydrophobicContact CZ-CD1 4.31Å; L272-L514 HydrophobicContact CB-CD1 4.45Å; N273-L514 VanDerWaalsContact CA-CD2 3.48Å; N273-L514 HydrophobicContact CB-CD1 4.4Å; N273-L514 HydrophobicContact CB-CD2 3.77Å; I276-L514 HydrophobicContact CD1-CD2 4.29Å; L510-L514 VanDerWaalsContact O-CB 3.24Å; L510-L514 WeakPolarHBondContact O-CB 3.16Å; L510-L514 PolarHBondContact O-N 3.13Å; L514-A517 PolarHBondContact O-N 2.87Å; L514-N518 VanDerWaalsContact O-CB 3.29Å; L514-N518 WeakPolarHBondContact O-CB 3.46Å; L514-N518 PolarHBondContact O-N 3.38Å
515	S	95.5	Very high	90.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-61.1	-44.3	175.1	-175.3	0	0	0	0	112.1	L226 H228 T229 D511 M512 L513 N518 A519	L226-S515 PolarHBondContact O-OG 2.87Å; H228-S515 WeakPolarHBondContact CA-OG 3.49Å; H228-S515 PolarHBondContact N-OG 2.87Å; T229-S515 PolarHBondContact N-OG 2.9Å; D511-S515 VanDerWaalsContact O-CB 3.27Å; D511-S515 WeakPolarHBondContact O-CB 3.29Å; D511-S515 PolarHBondContact O-N 3.44Å; M512-S515 VanDerWaalsContact O-CB 3.31Å; M512-S515 WeakPolarHBondContact O-CB 3.36Å; M512-S515 PolarHBondContact O-N 2.97Å; L513-S515 VanDerWaalsContact C-N 3.3Å; L513-S515 PolarHBondContact O-N 3.29Å; S515-N518 PolarHBondContact O-N 2.86Å; S515-A519 PolarHBondContact O-N 3.26Å
516	L	95.9	Very high	91.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-66.6	-43	176.2	-64.3	178.4	0	0	0	111.6	L226 L238 I259 M512 L513 N518 A519 C520 I592	L226-L516 HydrophobicContact CB-CD2 4.24Å; L226-L516 HydrophobicContact CD1-CD2 4.27Å; L226-L516 HydrophobicContact CD2-CD2 4.3Å; L238-L516 HydrophobicContact CD1-CD2 3.99Å; I259-L516 HydrophobicContact CD1-CB 3.71Å; I259-L516 HydrophobicContact CD1-CD1 3.94Å; I259-L516 HydrophobicContact CD1-CG 4.5Å; M512-L516 WeakPolarHBondContact O-CG 3.42Å; M512-L516 PolarHBondContact O-N 2.95Å; L513-L516 PolarHBondContact O-N 3.47Å; L516-N518 VanDerWaalsContact C-N 3.33Å; L516-N518 PolarHBondContact O-N 3.14Å; L516-A519 WeakPolarHBondContact O-CB 3.3Å; L516-A519 PolarHBondContact O-N 3.47Å; L516-C520 PolarHBondContact O-N 3.13Å; L516-C520 PolarHBondContact O-SG 3.06Å; L516-I592 HydrophobicContact CD2-CD1 4.19Å
517	A	95.2	Very high	91.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-43.7	173.9	0	0	0	0	0	111.3	I259 L262 L263 F269 L513 L514 A519 C520 T521	I259-A517 HydrophobicContact CG2-CB 4.19Å; L262-A517 HydrophobicContact CB-CB 4.04Å; L262-A517 HydrophobicContact CD1-CB 4.23Å; L263-A517 HydrophobicContact CD2-CB 4.27Å; L263-A517 WeakPolarHBondContact CD2-O 3.03Å; L263-A517 HydrophobicContact CG-CB 4.48Å; F269-A517 HydrophobicContact CD2-CB 4.3Å; F269-A517 HydrophobicContact CE2-CB 4.04Å; L513-A517 WeakPolarHBondContact O-CB 3.22Å; L513-A517 PolarHBondContact O-N 2.95Å; L514-A517 PolarHBondContact O-N 2.87Å; A517-A519 VanDerWaalsContact C-N 3.33Å; A517-A519 PolarHBondContact O-N 3.25Å; A517-C520 WeakPolarHBondContact O-CA 3.29Å; A517-C520 WeakPolarHBondContact O-CB 3.24Å; A517-C520 PolarHBondContact O-N 3.14Å; A517-T521 PolarHBondContact O-N 3.39Å; A517-T521 VanDerWaalsContact O-N 3.13Å
518	N	94.3	Very high	92.1	Very high	31 Å²	31	27.3 Å²	27.3	17%	0.166	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-40.8	177	-168.9	19	0	0	0	111.9	H228 F269 L514 S515 L516 C520 T521 I522	H228-N518 HydrophobicContact CB-CB 4.26Å; H228-N518 WeakPolarHBondContact CB-ND2 3.46Å; F269-N518 HydrophobicContact CE2-CB 4.22Å; F269-N518 HydrophobicContact CZ-CB 3.95Å; L514-N518 VanDerWaalsContact O-CB 3.29Å; L514-N518 WeakPolarHBondContact O-CB 3.46Å; L514-N518 PolarHBondContact O-N 3.38Å; S515-N518 PolarHBondContact O-N 2.86Å; L516-N518 VanDerWaalsContact C-N 3.33Å; L516-N518 PolarHBondContact O-N 3.14Å; N518-C520 PolarHBondContact O-N 2.57Å; N518-T521 PolarHBondContact O-N 3.12Å; N518-T521 PolarHBondContact O-OG1 2.91Å; N518-T521 PolarHBondContact OD1-OG1 3.04Å; N518-I522 WeakPolarHBondContact O-CG1 3.45Å; N518-I522 PolarHBondContact O-N 3.07Å
519	A	92.9	Very high	92.8	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-37.6	174	0	0	0	0	0	112.3	L226 S515 L516 A517 T521 I522 S523 Y525	L226-A519 HydrophobicContact CD2-CB 4.24Å; S515-A519 PolarHBondContact O-N 3.26Å; L516-A519 WeakPolarHBondContact O-CB 3.3Å; L516-A519 PolarHBondContact O-N 3.47Å; A517-A519 VanDerWaalsContact C-N 3.33Å; A517-A519 PolarHBondContact O-N 3.25Å; A519-T521 VanDerWaalsContact C-N 3.31Å; A519-T521 PolarHBondContact O-N 3.17Å; A519-I522 PolarHBondContact O-N 3.35Å; A519-S523 PolarHBondContact O-N 3.33Å; A519-Y525 HydrophobicContact CB-CE2 4.31Å
520	C	92	Very high	93.2	Very high	14 Å²	14	31.1 Å²	31.1	10%	0.095	16%	0.162	C	C	.	.	H	α-helix	trans	-72.6	-19.7	176.2	-51.7	0	0	0	0	113.7	L263 L516 A517 N518 S523	L263-C520 HydrophobicContact CD1-CB 3.9Å; L263-C520 HydrophobicContact CD2-CB 3.99Å; L516-C520 PolarHBondContact O-N 3.13Å; L516-C520 PolarHBondContact O-SG 3.06Å; A517-C520 WeakPolarHBondContact O-CA 3.29Å; A517-C520 WeakPolarHBondContact O-CB 3.24Å; A517-C520 PolarHBondContact O-N 3.14Å; N518-C520 PolarHBondContact O-N 2.57Å; C520-S523 CarbonylContact C-O 3.59Å
521	T	89.9	Confident	93.1	Very high	80 Å²	80	32.4 Å²	32.4	49%	0.491	17%	0.17	S	C	.	.	H	α-helix	trans	-82.5	-24.7	173.2	64.1	0	0	0	0	112.7	L263 A517 N518 A519	L263-T521 HydrophobicContact CD2-CG2 3.7Å; A517-T521 PolarHBondContact O-N 3.39Å; A517-T521 VanDerWaalsContact O-N 3.13Å; N518-T521 PolarHBondContact O-N 3.12Å; N518-T521 PolarHBondContact O-OG1 2.91Å; N518-T521 PolarHBondContact OD1-OG1 3.04Å; A519-T521 VanDerWaalsContact C-N 3.31Å; A519-T521 PolarHBondContact O-N 3.17Å
522	I	87.4	Confident	92.9	Very high	102 Å²	102	35.5 Å²	35.5	52%	0.523	19%	0.186	S	C	.	.	H	α-helix	trans	-82.1	-39.1	179.4	-65.2	165.8	0	0	0	110.8	H228 N518 A519	H228-I522 VanDerWaalsContact CE1-CD1 3.42Å; H228-I522 WeakPolarHBondContact CE1-CD1 3.31Å; N518-I522 WeakPolarHBondContact O-CG1 3.45Å; N518-I522 PolarHBondContact O-N 3.07Å; A519-I522 PolarHBondContact O-N 3.35Å
523	S	84.4	Confident	92.8	Very high	23 Å²	23	36.1 Å²	36.1	16%	0.161	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	143.1	-179.3	-78.5	0	0	0	0	110.5	A519 C520 Y525 E545	A519-S523 PolarHBondContact O-N 3.33Å; C520-S523 CarbonylContact C-O 3.59Å; S523-Y525 PolarHBondContact O-N 3.15Å; S523-E545 VanDerWaalsContact CB-OE1 3.3Å; S523-E545 WeakPolarHBondContact CB-OE1 3.24Å; S523-E545 PolarHBondContact OG-OE1 3.39Å
524	D	86.8	Confident	92.8	Very high	125 Å²	125	36.1 Å²	36.1	67%	0.668	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	86.9	-179.7	-62.1	-44.4	0	0	0	111.7	R540	D524-R540 PolarHBondContact O-NH2 2.8Å
525	Y	94.6	Very high	92.8	Very high	23 Å²	23	36.6 Å²	36.6	9%	0.09	20%	0.195	C	C	.	.			trans	-100	148.2	178.1	-67	-2.3	0	0	0	111	A519 S523 M589 V596 P597	A519-Y525 HydrophobicContact CB-CE2 4.31Å; S523-Y525 PolarHBondContact O-N 3.15Å; Y525-M589 HydrophobicContact CD2-CE 4.18Å; Y525-M589 HydrophobicContact CE2-CE 3.75Å; Y525-V596 CarbonylContact C-O 3.58Å; Y525-V596 WeakPolarHBondContact CA-O 3.27Å; Y525-P597 HydrophobicContact CD1-CB 3.79Å; Y525-P597 HydrophobicContact CE1-CB 3.54Å; Y525-P597 HydrophobicContact CE1-CG 4.43Å
526	V	95.4	Very high	92.9	Very high	48 Å²	48	36.7 Å²	36.7	29%	0.291	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-114.3	142.9	-178.1	172.9	0	0	0	0	110.6	P528 F595 V596 A598	V526-P528 WeakPolarHBondContact O-CD 3.46Å; V526-F595 WeakPolarHBondContact O-CA 3.48Å; V526-F595 WeakPolarHBondContact O-CB 3.35Å; V526-V596 PolarHBondContact N-O 3.05Å; V526-V596 PolarHBondContact O-N 2.59Å; V526-A598 WeakPolarHBondContact CB-O 3.45Å; V526-A598 WeakPolarHBondContact CG2-O 3.41Å
527	R	96.6	Very high	92.8	Very high	82 Å²	82	41 Å²	41	31%	0.309	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-63.4	120.5	175.4	-178.5	175.7	171.6	154.1	2.7	109.9	D257 F595	D257-R527 IonicContact OD1-CZ 2.67Å; D257-R527 IonicContact OD1-NH1 3.07Å; D257-R527 PolarHBondContact OD1-NH1 3.5Å; D257-R527 IonicContact OD1-NH2 3.88Å; D257-R527 PolarHBondContact OD1-NH2 2.91Å; R527-F595 HydrophobicContact CB-CD1 4.18Å; R527-F595 HydrophobicContact CB-CD2 4.2Å; R527-F595 HydrophobicContact CB-CE1 3.85Å; R527-F595 HydrophobicContact CB-CE2 3.85Å; R527-F595 HydrophobicContact CB-CG 4.37Å; R527-F595 HydrophobicContact CB-CZ 3.67Å; R527-F595 HydrophobicContact CG-CD1 4.46Å; R527-F595 HydrophobicContact CG-CE1 3.94Å; R527-F595 HydrophobicContact CG-CZ 4.1Å
528	P	96.6	Very high	92.8	Very high	4 Å²	4	44.6 Å²	44.6	3%	0.026	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-75.8	151.4	177.9	30.6	-35	0	0	0	111.9	L256 V526 A590 V596 A601 F603	L256-P528 HydrophobicContact CD1-CG 4.17Å; L256-P528 HydrophobicContact CD2-CG 4.15Å; V526-P528 WeakPolarHBondContact O-CD 3.46Å; P528-A590 HydrophobicContact CB-CB 3.97Å; P528-A590 HydrophobicContact CG-CB 3.89Å; P528-V596 HydrophobicContact CB-CG2 4.32Å; P528-V596 HydrophobicContact CG-CG1 4.47Å; P528-A601 WeakPolarHBondContact CA-O 3.46Å; P528-A601 HydrophobicContact CB-CB 4.49Å; P528-F603 HydrophobicContact CB-CD2 3.82Å; P528-F603 HydrophobicContact CB-CE2 3.84Å
529	E	95.1	Very high	92.8	Very high	62 Å²	62	43.1 Å²	43.1	29%	0.29	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	151.3	168.2	-57.6	-162.9	146.2	0	0	110.9	A601 S602 F603 R793	E529-A601 PolarHBondContact N-O 3.38Å; E529-S602 CarbonylContact O-C 3.58Å; E529-S602 VanDerWaalsContact O-CA 3.23Å; E529-S602 WeakPolarHBondContact O-CA 3.24Å; E529-F603 PolarHBondContact O-N 2.99Å; E529-R793 IonicContact OE1-CZ 3.97Å; E529-R793 IonicContact OE1-NH1 3.88Å; E529-R793 PolarHBondContact OE1-NH1 3.35Å; E529-R793 IonicContact OE2-NH1 3.82Å
530	F	94.3	Very high	92.8	Very high	42 Å²	42	43.9 Å²	43.9	18%	0.184	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.2	174.1	-69.8	-80.3	0	0	0	109.8	V249 I252 L256 A590 Q591 F603 I605	V249-F530 HydrophobicContact CG1-CB 4.02Å; V249-F530 HydrophobicContact CG1-CD2 4.37Å; V249-F530 HydrophobicContact CG1-CG 4.32Å; I252-F530 HydrophobicContact CB-CE2 4.28Å; I252-F530 HydrophobicContact CD1-CE1 4.48Å; I252-F530 HydrophobicContact CD1-CZ 4.19Å; I252-F530 HydrophobicContact CG2-CD2 4.42Å; I252-F530 HydrophobicContact CG2-CE2 3.39Å; I252-F530 HydrophobicContact CG2-CZ 3.6Å; L256-F530 HydrophobicContact CD1-CE2 4.01Å; F530-A590 HydrophobicContact CE1-CB 4.32Å; F530-A590 HydrophobicContact CZ-CB 4.02Å; F530-A590 WeakPolarHBondContact CZ-O 3.47Å; F530-Q591 HydrophobicContact CE1-CG 4.2Å; F530-F603 VanDerWaalsContact CA-O 3.3Å; F530-F603 WeakPolarHBondContact CA-O 3.33Å; F530-F603 HydrophobicContact CD1-CB 4.4Å; F530-F603 HydrophobicContact CE1-CB 4.33Å; F530-I605 HydrophobicContact CD1-CD1 3.37Å; F530-I605 HydrophobicContact CD1-CG1 4.01Å; F530-I605 HydrophobicContact CE1-CD1 3.46Å; F530-I605 VanDerWaalsContact CE1-CD1 3.46Å; F530-I605 HydrophobicContact CG-CD1 4.24Å; F530-I605 HydrophobicContact CZ-CD1 4.39Å
531	T	91.8	Very high	92.9	Very high	30 Å²	30	43.8 Å²	43.8	18%	0.184	22%	0.223	C	C	.	.	S	Bend	trans	-140.4	-172.1	179.2	77.1	0	0	0	0	110.2	T533 S602 F603 R604	T531-T533 PolarHBondContact O-N 2.99Å; T531-T533 PolarHBondContact OG1-N 3.34Å; T531-T533 PolarHBondContact OG1-OG1 3.49Å; T531-S602 PolarHBondContact OG1-OG 3.45Å; T531-F603 PolarHBondContact N-O 3.21Å; T531-F603 VanDerWaalsContact O-O 3.12Å; T531-R604 WeakPolarHBondContact O-CA 3.47Å
532	D	89	Confident	93.1	Very high	66 Å²	66	40 Å²	40	35%	0.353	20%	0.2	S	C	.	.	S	Bend	trans	-77.5	-0.1	177	-61.6	-25.4	0	0	0	113.5	R790	D532-R790 IonicContact OD2-NH1 3.84Å
533	T	91.4	Very high	93.3	Very high	15 Å²	15	35.3 Å²	35.3	9%	0.092	18%	0.176	C	C	.	.	S	Bend	trans	-124.9	150.5	-175.5	64.9	0	0	0	0	112.7	T531 S602 F603 R604 Q787	T531-T533 PolarHBondContact O-N 2.99Å; T531-T533 PolarHBondContact OG1-N 3.34Å; T531-T533 PolarHBondContact OG1-OG1 3.49Å; T533-S602 CarbonylContact O-C 3.47Å; T533-S602 PolarHBondContact O-OG 2.81Å; T533-F603 CarbonylContact O-C 3.58Å; T533-F603 WeakPolarHBondContact O-CA 3.3Å; T533-F603 PolarHBondContact O-N 3.39Å; T533-R604 PolarHBondContact O-N 3.06Å; T533-Q787 HydrophobicContact CG2-CG 4.33Å
534	L	95.3	Very high	93.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	107.3	167.7	-174.7	161.6	0	0	0	107.3	I536 T557 Y558 I559 V583 S602 F603 L645 F677	L534-I536 HydrophobicContact CD2-CD1 4.11Å; L534-I536 HydrophobicContact CD2-CG1 4.09Å; L534-T557 HydrophobicContact CD2-CG2 3.46Å; L534-T557 VanDerWaalsContact CD2-CG2 3.46Å; L534-Y558 CarbonylContact O-C 3.33Å; L534-Y558 WeakPolarHBondContact O-CA 2.94Å; L534-I559 HydrophobicContact CB-CB 4.22Å; L534-I559 HydrophobicContact CD2-CD1 4.35Å; L534-I559 HydrophobicContact CD2-CG1 4.39Å; L534-I559 PolarHBondContact N-O 3.47Å; L534-I559 PolarHBondContact O-N 3.12Å; L534-V583 HydrophobicContact CD1-CG1 3.85Å; L534-V583 HydrophobicContact CD2-CG1 4.04Å; L534-S602 CarbonylContact C-O 3.55Å; L534-S602 WeakPolarHBondContact CA-O 3.3Å; L534-F603 HydrophobicContact CD1-CD1 4.41Å; L534-F603 HydrophobicContact CG-CD1 4.09Å; L534-F603 HydrophobicContact CG-CE1 4.46Å; L534-L645 HydrophobicContact CD1-CD1 4.38Å; L534-F677 HydrophobicContact CB-CD2 3.97Å; L534-F677 HydrophobicContact CB-CE2 3.84Å
535	A	95.3	Very high	93.6	Very high	13 Å²	13	32.3 Å²	32.3	11%	0.107	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115	179.2	0	0	0	0	0	109.2	T557 Y558 Y600 A601 S602	A535-T557 CarbonylContact C-O 3.54Å; A535-T557 WeakPolarHBondContact CA-O 3.01Å; A535-Y558 HydrophobicContact CB-CD2 3.88Å; A535-Y558 HydrophobicContact CB-CE2 4.26Å; A535-Y600 HydrophobicContact CB-CE1 4.29Å; A535-A601 CarbonylContact O-C 3.57Å; A535-A601 VanDerWaalsContact O-CA 3.27Å; A535-A601 WeakPolarHBondContact O-CA 3.13Å; A535-S602 PolarHBondContact N-O 3.19Å; A535-S602 PolarHBondContact O-N 3.33Å
536	I	96.4	Very high	93.2	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.6	177.1	-52.2	174.2	0	0	0	107.1	L534 N556 T557 V583 C586 A598 F603	L534-I536 HydrophobicContact CD2-CD1 4.11Å; L534-I536 HydrophobicContact CD2-CG1 4.09Å; I536-N556 CarbonylContact O-C 3.59Å; I536-N556 VanDerWaalsContact O-CA 3.28Å; I536-N556 WeakPolarHBondContact O-CA 3.45Å; I536-T557 PolarHBondContact N-O 3.28Å; I536-T557 PolarHBondContact O-N 3.04Å; I536-V583 HydrophobicContact CD1-CG1 4.31Å; I536-V583 HydrophobicContact CD1-CG2 4.44Å; I536-C586 HydrophobicContact CD1-CB 4.03Å; I536-A598 HydrophobicContact CG2-CB 3.83Å; I536-F603 HydrophobicContact CD1-CE1 3.75Å; I536-F603 HydrophobicContact CD1-CZ 4.03Å; I536-F603 HydrophobicContact CG1-CE1 3.91Å; I536-F603 HydrophobicContact CG1-CZ 3.99Å
537	K	95.3	Very high	92.6	Very high	93 Å²	93	38.6 Å²	38.6	40%	0.404	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.3	175.3	-168.9	-172.4	177.7	-158.5	0	109.2	G539 N556 E599 Y600	K537-G539 PolarHBondContact O-N 2.89Å; K537-N556 WeakPolarHBondContact CA-OD1 3.5Å; K537-E599 WeakPolarHBondContact CD-OE2 3.45Å; K537-E599 WeakPolarHBondContact CE-OE2 3.27Å; K537-E599 IonicContact NZ-OE1 3.09Å; K537-E599 PolarHBondContact NZ-OE1 3.07Å; K537-E599 IonicContact NZ-OE2 2.84Å; K537-E599 PolarHBondContact NZ-OE2 3.31Å; K537-E599 VanDerWaalsContact NZ-OE2 3.09Å; K537-E599 PolarHBondContact O-N 3.17Å; K537-Y600 PolarHBondContact N-O 3.09Å
538	Q	93.8	Very high	91.8	Very high	75 Å²	75	37 Å²	37	35%	0.35	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	48.6	47.4	-178.9	-62.9	-65.6	-16.8	0	0	112	N556 E599	Q538-N556 PolarHBondContact N-OD1 3.27Å; Q538-E599 HydrophobicContact CB-CB 4.09Å
539	G	94.6	Very high	90.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	147.2	177.8	0	0	0	0	0	111.3	K537 S554 N555 Q582 P597	K537-G539 PolarHBondContact O-N 2.89Å; G539-S554 CarbonylContact O-C 3.52Å; G539-S554 VanDerWaalsContact O-CA 3.26Å; G539-S554 WeakPolarHBondContact O-CA 3.43Å; G539-N555 PolarHBondContact N-O 3.24Å; G539-N555 PolarHBondContact O-N 3.16Å; G539-Q582 PolarHBondContact O-NE2 2.96Å; G539-P597 CarbonylContact C-O 3.56Å; G539-P597 WeakPolarHBondContact CA-O 3.34Å
540	R	93.6	Very high	89.5	Confident	19 Å²	19	54.2 Å²	54.2	7%	0.072	25%	0.253	C	S	.	.			trans	-123.7	152.5	176.8	-66.2	167.9	-72.2	160.9	-1.9	110.9	D524 P542 E545 P552 S554 P597	D524-R540 PolarHBondContact O-NH2 2.8Å; R540-P542 WeakPolarHBondContact O-CD 3.48Å; R540-E545 IonicContact CZ-OE1 2.55Å; R540-E545 IonicContact NH1-OE1 3.86Å; R540-E545 PolarHBondContact NH1-OE1 3.3Å; R540-E545 VanDerWaalsContact NH1-OE1 3.13Å; R540-E545 IonicContact NH1-OE2 2.74Å; R540-P552 HydrophobicContact CB-CG 4.18Å; R540-P552 HydrophobicContact CG-CG 4.37Å; R540-S554 WeakPolarHBondContact CG-OG 3.47Å; R540-P597 HydrophobicContact CB-CB 4.24Å; R540-P597 PolarHBondContact N-O 3.42Å; R540-P597 WeakPolarHBondContact O-CG 3.26Å
541	H	94.3	Very high	88.6	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.056	28%	0.277	C	S	.	.			trans	-79.5	116.2	176.1	-172.4	-51.2	0	0	0	110.7	I543 L544 E545 T578 Q582 L585	H541-I543 PolarHBondContact ND1-N 3.09Å; H541-I543 PolarHBondContact O-N 2.99Å; H541-L544 HydrophobicContact CB-CB 4.05Å; H541-L544 HydrophobicContact CB-CD1 4.05Å; H541-L544 HydrophobicContact CB-CG 4.2Å; H541-L544 PolarHBondContact ND1-N 3.04Å; H541-L544 PolarHBondContact O-N 3.25Å; H541-E545 WeakPolarHBondContact O-CB 3.37Å; H541-E545 PolarHBondContact O-N 2.55Å; H541-T578 HydrophobicContact CB-CG2 4.36Å; H541-T578 PolarHBondContact CD2-O 3.06Å; H541-Q582 HydrophobicContact CB-CB 4.03Å; H541-Q582 HydrophobicContact CB-CG 4.37Å; H541-L585 WeakPolarHBondContact CE1-CD1 3.49Å
542	P	92.8	Very high	88.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-40.1	-170.4	21.9	-32.6	0	0	0	113.8	L222 V225 R540 R546 L585 M589 P597	L222-P542 HydrophobicContact CD1-CG 4.14Å; V225-P542 HydrophobicContact CG1-CB 4.36Å; R540-P542 WeakPolarHBondContact O-CD 3.48Å; P542-R546 PolarHBondContact O-N 3.41Å; P542-L585 HydrophobicContact CG-CB 3.92Å; P542-L585 HydrophobicContact CG-CD1 4.02Å; P542-M589 HydrophobicContact CB-SD 3.96Å; P542-M589 HydrophobicContact CG-SD 3.83Å; P542-P597 HydrophobicContact CB-CG 4.24Å
543	I	91.7	Very high	88.3	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-45.9	178	-50.9	175.1	0	0	0	111.4	E208 V225 H541 E545 R546 M547 L585	E208-I543 HydrophobicContact CB-CD1 4.32Å; V225-I543 HydrophobicContact CG2-CB 4.42Å; V225-I543 HydrophobicContact CG2-CG1 4.16Å; H541-I543 PolarHBondContact ND1-N 3.09Å; H541-I543 PolarHBondContact O-N 2.99Å; I543-E545 VanDerWaalsContact C-N 3.33Å; I543-E545 PolarHBondContact O-N 2.96Å; I543-R546 PolarHBondContact O-N 2.82Å; I543-M547 HydrophobicContact CG2-SD 4.09Å; I543-M547 WeakPolarHBondContact O-CG 3.43Å; I543-M547 PolarHBondContact O-N 3.36Å; I543-M547 VanDerWaalsContact O-N 3.09Å; I543-L585 HydrophobicContact CD1-CD1 4.03Å; I543-L585 HydrophobicContact CG1-CD1 4.27Å
544	L	90.1	Very high	88.4	Confident	58 Å²	58	59.5 Å²	59.5	30%	0.304	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-35.5	177.7	-68.3	-178.8	0	0	0	112.6	H541 R546 M547 A548 T578	H541-L544 HydrophobicContact CB-CB 4.05Å; H541-L544 HydrophobicContact CB-CD1 4.05Å; H541-L544 HydrophobicContact CB-CG 4.2Å; H541-L544 PolarHBondContact ND1-N 3.04Å; H541-L544 PolarHBondContact O-N 3.25Å; L544-R546 PolarHBondContact O-N 3.24Å; L544-M547 PolarHBondContact O-N 2.92Å; L544-M547 VanDerWaalsContact O-N 3.17Å; L544-A548 WeakPolarHBondContact O-CB 3.45Å; L544-A548 PolarHBondContact O-N 3.37Å; L544-T578 HydrophobicContact CD1-CG2 3.2Å
545	E	88.7	Confident	88.3	Confident	26 Å²	26	59.9 Å²	59.9	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-57.3	-39	174.3	-172.5	-178.6	167	0	0	111.6	S523 R540 H541 I543 P552	S523-E545 VanDerWaalsContact CB-OE1 3.3Å; S523-E545 WeakPolarHBondContact CB-OE1 3.24Å; S523-E545 PolarHBondContact OG-OE1 3.39Å; R540-E545 IonicContact CZ-OE1 2.55Å; R540-E545 IonicContact NH1-OE1 3.86Å; R540-E545 PolarHBondContact NH1-OE1 3.3Å; R540-E545 VanDerWaalsContact NH1-OE1 3.13Å; R540-E545 IonicContact NH1-OE2 2.74Å; H541-E545 WeakPolarHBondContact O-CB 3.37Å; H541-E545 PolarHBondContact O-N 2.55Å; I543-E545 VanDerWaalsContact C-N 3.33Å; I543-E545 PolarHBondContact O-N 2.96Å; E545-P552 HydrophobicContact CB-CG 4.15Å
546	R	85.1	Confident	88.2	Confident	113 Å²	113	63.3 Å²	63.3	43%	0.426	30%	0.302	S	S	.	.	H	α-helix	trans	-74.2	-33.3	176.3	-172	175.2	-175.7	116.4	-11.4	113.6	G224 V225 P542 I543 L544	G224-R546 VanDerWaalsContact O-CZ 3.31Å; G224-R546 PolarHBondContact O-NH1 2.94Å; G224-R546 PolarHBondContact O-NH2 3.09Å; V225-R546 HydrophobicContact CG2-CB 4.17Å; V225-R546 PolarHBondContact O-NH1 2.79Å; P542-R546 PolarHBondContact O-N 3.41Å; I543-R546 PolarHBondContact O-N 2.82Å; L544-R546 PolarHBondContact O-N 3.24Å
547	M	83.9	Confident	88.2	Confident	91 Å²	91	63.4 Å²	63.4	45%	0.448	30%	0.302	S	S	.	.	H	α-helix	trans	-79.4	-37.9	-179.4	-70.7	-179.9	76.9	0	0	112.8	Y220 I543 L544	Y220-M547 HydrophobicContact CD1-CB 4.48Å; Y220-M547 HydrophobicContact CD1-CG 3.27Å; Y220-M547 HydrophobicContact CD1-SD 4.16Å; Y220-M547 HydrophobicContact CD2-CE 4.02Å; Y220-M547 HydrophobicContact CD2-CG 4.3Å; Y220-M547 HydrophobicContact CD2-SD 4.41Å; Y220-M547 HydrophobicContact CE1-CB 4.45Å; Y220-M547 HydrophobicContact CE1-CG 3.62Å; Y220-M547 HydrophobicContact CE2-CE 4.4Å; Y220-M547 HydrophobicContact CG-CE 4.14Å; Y220-M547 HydrophobicContact CG-CG 3.64Å; Y220-M547 HydrophobicContact CG-SD 3.91Å; I543-M547 HydrophobicContact CG2-SD 4.09Å; I543-M547 WeakPolarHBondContact O-CG 3.43Å; I543-M547 PolarHBondContact O-N 3.36Å; I543-M547 VanDerWaalsContact O-N 3.09Å; L544-M547 PolarHBondContact O-N 2.92Å; L544-M547 VanDerWaalsContact O-N 3.17Å
548	A	78.3	Confident	88.1	Confident	48 Å²	48	61.9 Å²	61.9	40%	0.397	29%	0.294	S	S	.	.			trans	-79.4	139.6	-170.2	0	0	0	0	0	111.1	L544 Q550	L544-A548 WeakPolarHBondContact O-CB 3.45Å; L544-A548 PolarHBondContact O-N 3.37Å; A548-Q550 WeakPolarHBondContact CB-O 3.18Å; A548-Q550 PolarHBondContact O-N 3Å
549	R	69.1	Low	88	Confident	259 Å²	259	58.3 Å²	58.3	98%	0.977	28%	0.278	S	S	*	.	S	Bend	trans	-74.4	-18.8	173.1	-64.8	-177.2	-179.2	-179.3	0.4	112.8
550	Q	74	Confident	87.9	Confident	168 Å²	168	58.4 Å²	58.4	79%	0.785	28%	0.278	S	S	*	.	S	Bend	trans	-121.6	149.2	177.3	-67.8	-179.8	-7.1	0	0	108.2	A548	A548-Q550 WeakPolarHBondContact CB-O 3.18Å; A548-Q550 PolarHBondContact O-N 3Å
551	Q	76.7	Confident	87.4	Confident	145 Å²	145	62.5 Å²	62.5	68%	0.678	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-61.8	134.4	179.4	-74.6	-172	-17.7	0	0	110.7
552	P	85.6	Confident	86.8	Confident	26 Å²	26	61.9 Å²	61.9	17%	0.169	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-66.2	150.2	177.7	27.8	-33.9	0	0	0	110.9	R540 E545 S554	R540-P552 HydrophobicContact CB-CG 4.18Å; R540-P552 HydrophobicContact CG-CG 4.37Å; E545-P552 HydrophobicContact CB-CG 4.15Å; P552-S554 PolarHBondContact O-N 3.49Å
553	V	88.7	Confident	86.6	Confident	66 Å²	66	62 Å²	62	40%	0.4	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-60.9	129.2	175.1	-178.9	0	0	0	0	109.2	Y721	V553-Y721 HydrophobicContact CG2-CD2 4.24Å
554	S	92.6	Very high	86.5	Confident	28 Å²	28	62 Å²	62	20%	0.196	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-90.3	141.2	-175.5	-62.6	0	0	0	0	110.6	G539 R540 P552	G539-S554 CarbonylContact O-C 3.52Å; G539-S554 VanDerWaalsContact O-CA 3.26Å; G539-S554 WeakPolarHBondContact O-CA 3.43Å; R540-S554 WeakPolarHBondContact CG-OG 3.47Å; P552-S554 PolarHBondContact O-N 3.49Å
555	N	93.3	Very high	86.7	Confident	9 Å²	9	59.2 Å²	59.2	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.9	-174.9	-79.1	-64.4	0	0	0	112.1	G539 Y579 Y721 L722 L723	G539-N555 PolarHBondContact N-O 3.24Å; G539-N555 PolarHBondContact O-N 3.16Å; N555-Y579 HydrophobicContact CB-CD2 4.04Å; N555-Y579 HydrophobicContact CB-CE2 4.21Å; N555-Y721 PolarHBondContact ND2-O 3.35Å; N555-Y721 PolarHBondContact OD1-O 2.6Å; N555-L722 WeakPolarHBondContact OD1-CA 3.45Å; N555-L723 WeakPolarHBondContact OD1-CB 3.24Å; N555-L723 PolarHBondContact OD1-N 3.47Å
556	N	94.6	Very high	87	Confident	85 Å²	85	58 Å²	58	46%	0.455	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.5	174.7	-61.8	-41.9	0	0	0	110.1	I536 K537 Q538	I536-N556 CarbonylContact O-C 3.59Å; I536-N556 VanDerWaalsContact O-CA 3.28Å; I536-N556 WeakPolarHBondContact O-CA 3.45Å; K537-N556 WeakPolarHBondContact CA-OD1 3.5Å; Q538-N556 PolarHBondContact N-OD1 3.27Å
557	T	94.6	Very high	87.4	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.3	174.1	-55.2	0	0	0	0	109	L534 A535 I536 I559 Y579 V583	L534-T557 HydrophobicContact CD2-CG2 3.46Å; L534-T557 VanDerWaalsContact CD2-CG2 3.46Å; A535-T557 CarbonylContact C-O 3.54Å; A535-T557 WeakPolarHBondContact CA-O 3.01Å; I536-T557 PolarHBondContact N-O 3.28Å; I536-T557 PolarHBondContact O-N 3.04Å; T557-I559 HydrophobicContact CG2-CD1 4.28Å; T557-I559 HydrophobicContact CG2-CG1 4.15Å; T557-Y579 WeakPolarHBondContact CG2-OH 3.44Å; T557-Y579 WeakPolarHBondContact OG1-CE2 3.45Å; T557-Y579 PolarHBondContact OG1-OH 2.98Å; T557-V583 HydrophobicContact CG2-CG1 4.47Å; T557-V583 HydrophobicContact CG2-CG2 3.99Å
558	Y	93.6	Very high	87.8	Confident	62 Å²	62	48.3 Å²	48.3	24%	0.243	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	117.8	174	-173.2	-97.7	0	0	0	109.9	L534 A535 Q787	L534-Y558 CarbonylContact O-C 3.33Å; L534-Y558 WeakPolarHBondContact O-CA 2.94Å; A535-Y558 HydrophobicContact CB-CD2 3.88Å; A535-Y558 HydrophobicContact CB-CE2 4.26Å; Y558-Q787 PolarHBondContact OH-OE1 3.05Å
559	I	93.3	Very high	88.4	Confident	0 Å²	0	46 Å²	46	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.8	177.7	-50.4	178.5	0	0	0	107.5	L534 T557 S563 V566 F677 L679	L534-I559 HydrophobicContact CB-CB 4.22Å; L534-I559 HydrophobicContact CD2-CD1 4.35Å; L534-I559 HydrophobicContact CD2-CG1 4.39Å; L534-I559 PolarHBondContact N-O 3.47Å; L534-I559 PolarHBondContact O-N 3.12Å; T557-I559 HydrophobicContact CG2-CD1 4.28Å; T557-I559 HydrophobicContact CG2-CG1 4.15Å; I559-S563 VanDerWaalsContact CG2-O 3.3Å; I559-S563 WeakPolarHBondContact CG2-O 3.45Å; I559-V566 HydrophobicContact CD1-CG2 4.48Å; I559-V566 HydrophobicContact CG1-CG2 4.07Å; I559-F677 HydrophobicContact CB-CD2 4.32Å; I559-F677 HydrophobicContact CB-CG 4.47Å; I559-F677 HydrophobicContact CG2-CB 4Å; I559-F677 HydrophobicContact CG2-CD1 3.66Å; I559-F677 HydrophobicContact CG2-CD2 3.91Å; I559-F677 HydrophobicContact CG2-CE1 4.04Å; I559-F677 HydrophobicContact CG2-CE2 4.28Å; I559-F677 HydrophobicContact CG2-CG 3.58Å; I559-F677 HydrophobicContact CG2-CZ 4.34Å; I559-L679 HydrophobicContact CD1-CD1 4.11Å; I559-L679 HydrophobicContact CD1-CD2 3.96Å; I559-L679 HydrophobicContact CD1-CG 3.85Å
560	S	90.9	Very high	89.1	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.014	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-147.9	172.1	-176.8	80.9	0	0	0	0	110.9	G562 S563 N564 Q787	S560-G562 PolarHBondContact O-N 3.41Å; S560-G562 VanDerWaalsContact O-N 3.12Å; S560-G562 PolarHBondContact OG-N 3.09Å; S560-S563 PolarHBondContact N-O 3.43Å; S560-S563 PolarHBondContact N-OG 3.15Å; S560-S563 CarbonylContact O-C 3Å; S560-S563 PolarHBondContact O-N 3.47Å; S560-S563 PolarHBondContact OG-OG 2.89Å; S560-S563 VanDerWaalsContact OG-OG 3.13Å; S560-N564 VanDerWaalsContact O-CA 3.24Å; S560-N564 WeakPolarHBondContact O-CA 3.27Å; S560-N564 WeakPolarHBondContact O-CB 3.42Å; S560-N564 PolarHBondContact O-N 3.31Å; S560-Q787 PolarHBondContact OG-NE2 3.28Å
561	E	83.3	Confident	89.3	Confident	104 Å²	104	26.5 Å²	26.5	49%	0.486	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.8	174.4	-67.8	-170.6	157.6	0	0	113.3	S563 Y779	E561-S563 VanDerWaalsContact C-N 3.33Å; E561-Y779 PolarHBondContact O-OH 3.05Å
562	G	81.7	Confident	89.4	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.9	175.3	0	0	0	0	0	114.3	S560 N696 H780	S560-G562 PolarHBondContact O-N 3.41Å; S560-G562 VanDerWaalsContact O-N 3.12Å; S560-G562 PolarHBondContact OG-N 3.09Å; G562-N696 WeakPolarHBondContact O-CA 3.2Å; G562-H780 PolarHBondContact O-CE1 3.02Å
563	S	87.9	Confident	89	Confident	3 Å²	3	29.2 Å²	29.2	2%	0.021	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-150.1	58.6	-173.5	59.6	0	0	0	0	109.1	I559 S560 E561 F565 N696	I559-S563 VanDerWaalsContact CG2-O 3.3Å; I559-S563 WeakPolarHBondContact CG2-O 3.45Å; S560-S563 PolarHBondContact N-O 3.43Å; S560-S563 PolarHBondContact N-OG 3.15Å; S560-S563 CarbonylContact O-C 3Å; S560-S563 PolarHBondContact O-N 3.47Å; S560-S563 PolarHBondContact OG-OG 2.89Å; S560-S563 VanDerWaalsContact OG-OG 3.13Å; E561-S563 VanDerWaalsContact C-N 3.33Å; S563-F565 VanDerWaalsContact C-N 3.34Å; S563-N696 CarbonylContact C-O 3.47Å; S563-N696 VanDerWaalsContact CA-O 3.32Å; S563-N696 WeakPolarHBondContact CA-O 3.41Å
564	N	90.9	Very high	88.7	Confident	3 Å²	3	26.1 Å²	26.1	2%	0.016	14%	0.135	C	C	.	.			trans	-86.4	-8.7	-169.7	72.2	-58.4	0	0	0	112.9	S560 K675 A676 F677 T678 N696	S560-N564 VanDerWaalsContact O-CA 3.24Å; S560-N564 WeakPolarHBondContact O-CA 3.27Å; S560-N564 WeakPolarHBondContact O-CB 3.42Å; S560-N564 PolarHBondContact O-N 3.31Å; N564-K675 WeakPolarHBondContact ND2-CA 3.38Å; N564-A676 PolarHBondContact ND2-O 3.41Å; N564-F677 HydrophobicContact CB-CD1 3.98Å; N564-F677 HydrophobicContact CB-CE1 4.27Å; N564-F677 WeakPolarHBondContact O-CA 3.4Å; N564-T678 PolarHBondContact O-N 2.84Å; N564-N696 PolarHBondContact N-O 3.18Å; N564-N696 WeakPolarHBondContact OD1-CB 3.29Å; N564-N696 PolarHBondContact OD1-ND2 3.22Å
565	F	93.8	Very high	88.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.2	-179.7	-160	-76.3	0	0	0	110	S563 I567 C668 L671 L672 T678 F680 N696 V697 E698	S563-F565 VanDerWaalsContact C-N 3.34Å; F565-I567 HydrophobicContact CD1-CG1 3.94Å; F565-I567 HydrophobicContact CE1-CD1 4.31Å; F565-I567 HydrophobicContact CE1-CG1 3.73Å; F565-C668 HydrophobicContact CE1-CB 4.34Å; F565-C668 HydrophobicContact CE2-CB 4.32Å; F565-C668 HydrophobicContact CZ-CB 3.73Å; F565-L671 HydrophobicContact CE2-CB 4.03Å; F565-L672 HydrophobicContact CB-CD2 3.39Å; F565-L672 HydrophobicContact CB-CG 4.27Å; F565-L672 HydrophobicContact CD2-CD2 3.78Å; F565-L672 HydrophobicContact CD2-CG 3.72Å; F565-L672 HydrophobicContact CE2-CG 4.26Å; F565-L672 HydrophobicContact CG-CD2 3.68Å; F565-L672 HydrophobicContact CG-CG 4.01Å; F565-T678 WeakPolarHBondContact CA-O 3.36Å; F565-T678 HydrophobicContact CD2-CG2 3.86Å; F565-T678 HydrophobicContact CE2-CG2 3.45Å; F565-T678 VanDerWaalsContact CE2-CG2 3.45Å; F565-T678 HydrophobicContact CZ-CG2 3.93Å; F565-F680 HydrophobicContact CE1-CB 3.82Å; F565-F680 HydrophobicContact CE1-CG 4.42Å; F565-F680 HydrophobicContact CZ-CB 3.9Å; F565-F680 HydrophobicContact CZ-CD2 4.11Å; F565-F680 HydrophobicContact CZ-CG 4.23Å; F565-N696 PolarHBondContact N-O 2.95Å; F565-V697 HydrophobicContact CB-CG2 4.21Å; F565-V697 HydrophobicContact CD1-CG1 4.49Å; F565-V697 HydrophobicContact CD1-CG2 4.37Å; F565-V697 CarbonylContact O-C 3.38Å; F565-V697 VanDerWaalsContact O-CA 3.32Å; F565-V697 WeakPolarHBondContact O-CA 3.35Å; F565-E698 PolarHBondContact O-N 3.49Å
566	V	94.6	Very high	88.2	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119.8	-177.7	178.1	0	0	0	0	109.1	I559 V568 T678 L679 F680 E698 Q700	I559-V566 HydrophobicContact CD1-CG2 4.48Å; I559-V566 HydrophobicContact CG1-CG2 4.07Å; V566-V568 HydrophobicContact CG1-CG2 4.09Å; V566-T678 PolarHBondContact N-O 2.84Å; V566-L679 HydrophobicContact CB-CD2 3.87Å; V566-L679 HydrophobicContact CG1-CD2 4.08Å; V566-F680 PolarHBondContact O-N 3.16Å; V566-E698 CarbonylContact C-O 3.53Å; V566-E698 WeakPolarHBondContact CA-O 3.48Å; V566-Q700 HydrophobicContact CG1-CB 4.31Å; V566-Q700 HydrophobicContact CG1-CG 3.99Å
567	I	93.8	Very high	88	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.4	174.7	-61.2	174.8	0	0	0	108	F565 T569 F680 T682 L687 L690 V697 E698 N699 Q700	F565-I567 HydrophobicContact CD1-CG1 3.94Å; F565-I567 HydrophobicContact CE1-CD1 4.31Å; F565-I567 HydrophobicContact CE1-CG1 3.73Å; I567-T569 HydrophobicContact CG2-CG2 4.22Å; I567-F680 CarbonylContact C-O 3.56Å; I567-F680 WeakPolarHBondContact CA-O 3.5Å; I567-T682 HydrophobicContact CG2-CG2 3.94Å; I567-L687 WeakPolarHBondContact CD1-O 3.38Å; I567-L690 HydrophobicContact CD1-CB 4.11Å; I567-L690 HydrophobicContact CD1-CD1 4.04Å; I567-V697 HydrophobicContact CD1-CG1 3.76Å; I567-V697 HydrophobicContact CG1-CG1 4.16Å; I567-E698 PolarHBondContact N-O 3.27Å; I567-N699 WeakPolarHBondContact CB-OD1 2.91Å; I567-Q700 PolarHBondContact O-N 3.48Å; I567-Q700 VanDerWaalsContact O-O 3.09Å
568	V	92.9	Very high	87.8	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	115.6	179.8	-175.3	0	0	0	0	109.6	V566 K576 Y579 F680 A681 T682 Q700 L723	V566-V568 HydrophobicContact CG1-CG2 4.09Å; V568-K576 HydrophobicContact CG1-CD 4.41Å; V568-K576 HydrophobicContact CG1-CG 4.23Å; V568-Y579 HydrophobicContact CG2-CD1 4.49Å; V568-Y579 HydrophobicContact CG2-CE1 4.14Å; V568-F680 PolarHBondContact N-O 2.78Å; V568-A681 HydrophobicContact CB-CB 4.26Å; V568-A681 WeakPolarHBondContact O-CA 3.43Å; V568-T682 PolarHBondContact O-N 3.3Å; V568-Q700 CarbonylContact C-O 3.4Å; V568-Q700 WeakPolarHBondContact CA-O 3.36Å; V568-L723 HydrophobicContact CG1-CD1 4.1Å
569	T	90	Very high	87.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	166.5	176	55.6	0	0	0	0	111.5	I567 T682 L685 C688 Q700 H701 M702	I567-T569 HydrophobicContact CG2-CG2 4.22Å; T569-T682 HydrophobicContact CG2-CG2 4.13Å; T569-L685 HydrophobicContact CG2-CD2 4.15Å; T569-C688 WeakPolarHBondContact CG2-SG 3.3Å; T569-Q700 PolarHBondContact N-O 3.43Å; T569-Q700 PolarHBondContact OG1-O 3.33Å; T569-H701 CarbonylContact O-C 3.59Å; T569-H701 WeakPolarHBondContact O-CA 3.47Å; T569-H701 WeakPolarHBondContact OG1-CB 3.27Å; T569-M702 PolarHBondContact O-N 3.05Å
570	G	84.2	Confident	87.9	Confident	9 Å²	9	22.9 Å²	22.9	9%	0.093	13%	0.127	C	C	.	.			trans	142.1	164.4	176.7	0	0	0	0	0	112.5	K576	G570-K576 WeakPolarHBondContact O-CE 3.44Å; G570-K576 PolarHBondContact O-NZ 3.13Å
571	P	79.1	Confident	88	Confident	9 Å²	9	24.7 Å²	24.7	6%	0.058	14%	0.135	C	C	.	.			trans	-66.2	162.8	-172.6	19.3	-25.1	0	0	0	113.7	S574 K576 V704 Y719 Y733	P571-S574 VanDerWaalsContact O-CB 3.32Å; P571-S574 WeakPolarHBondContact O-CB 3.28Å; P571-S574 PolarHBondContact O-N 2.93Å; P571-S574 PolarHBondContact O-OG 3.23Å; P571-K576 PolarHBondContact O-NZ 2.98Å; P571-V704 HydrophobicContact CG-CG2 3.5Å; P571-Y719 HydrophobicContact CG-CD1 4.48Å; P571-Y719 HydrophobicContact CG-CE1 4.23Å; P571-Y733 HydrophobicContact CB-CD1 3.34Å; P571-Y733 HydrophobicContact CB-CD2 3.42Å; P571-Y733 VanDerWaalsContact CB-CD2 3.42Å; P571-Y733 HydrophobicContact CB-CE1 3.39Å; P571-Y733 HydrophobicContact CB-CE2 3.47Å; P571-Y733 VanDerWaalsContact CB-CE2 3.47Å; P571-Y733 HydrophobicContact CB-CG 3.35Å; P571-Y733 VanDerWaalsContact CB-CZ 3.44Å; P571-Y733 HydrophobicContact CG-CD2 3.96Å; P571-Y733 HydrophobicContact CG-CE2 4.04Å; P571-Y733 HydrophobicContact CG-CG 4.25Å
572	N	78	Confident	88.6	Confident	73 Å²	73	20 Å²	20	39%	0.39	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	143.5	168	-71.7	-17.8	0	0	0	109.3	S574 R653 H683 Y733	N572-S574 PolarHBondContact O-N 2.84Å; N572-R653 PolarHBondContact OD1-NH2 3.41Å; N572-H683 PolarHBondContact OD1-CE1 2.98Å; N572-H683 PolarHBondContact OD1-NE2 3.31Å; N572-H683 VanDerWaalsContact OD1-NE2 3.09Å; N572-Y733 PolarHBondContact O-OH 3.24Å
573	M	78.2	Confident	89.2	Confident	155 Å²	155	20 Å²	20	76%	0.764	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.3	-0.9	-177.7	-49.7	170	111.9	0	0	116.1	G575	M573-G575 PolarHBondContact O-N 3.13Å; M573-G575 VanDerWaalsContact O-N 3.13Å
574	S	81.3	Confident	89.6	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.007	11%	0.111	C	C	.	.	S	Bend	trans	-68.4	-6.4	174.9	60.4	0	0	0	0	115.1	P571 N572 M702 Y721	P571-S574 VanDerWaalsContact O-CB 3.32Å; P571-S574 WeakPolarHBondContact O-CB 3.28Å; P571-S574 PolarHBondContact O-N 2.93Å; P571-S574 PolarHBondContact O-OG 3.23Å; N572-S574 PolarHBondContact O-N 2.84Å; S574-M702 WeakPolarHBondContact O-CE 3.35Å; S574-Y721 WeakPolarHBondContact O-CD1 3.3Å
575	G	85.6	Confident	89.9	Confident	13 Å²	13	19.7 Å²	19.7	13%	0.134	11%	0.111	C	C	.	.	S	Bend	trans	99.1	7.6	178.8	0	0	0	0	0	115.8	M573 S577 T578 Y579	M573-G575 PolarHBondContact O-N 3.13Å; M573-G575 VanDerWaalsContact O-N 3.13Å; G575-S577 PolarHBondContact O-N 2.94Å; G575-T578 WeakPolarHBondContact O-CA 3.4Å; G575-T578 VanDerWaalsContact O-CB 3.31Å; G575-T578 WeakPolarHBondContact O-CB 3.26Å; G575-T578 PolarHBondContact O-N 2.74Å; G575-Y579 PolarHBondContact O-N 3.32Å
576	K	89.9	Confident	90	Very high	7 Å²	7	19.7 Å²	19.7	3%	0.03	11%	0.111	C	C	.	.	H	α-helix	trans	-48.3	-57.9	178.5	-61.4	-169.7	-56.1	-71	0	113.5	V568 G570 P571 T578 Y579 L580 E650 A681 H683 M702	V568-K576 HydrophobicContact CG1-CD 4.41Å; V568-K576 HydrophobicContact CG1-CG 4.23Å; G570-K576 WeakPolarHBondContact O-CE 3.44Å; G570-K576 PolarHBondContact O-NZ 3.13Å; P571-K576 PolarHBondContact O-NZ 2.98Å; K576-T578 PolarHBondContact O-N 2.86Å; K576-Y579 WeakPolarHBondContact O-CB 3.15Å; K576-Y579 PolarHBondContact O-N 2.98Å; K576-Y579 VanDerWaalsContact O-N 3.14Å; K576-L580 WeakPolarHBondContact O-CG 3.5Å; K576-L580 PolarHBondContact O-N 3.06Å; K576-E650 IonicContact NZ-OE1 2.85Å; K576-A681 HydrophobicContact CB-CB 4.38Å; K576-A681 HydrophobicContact CD-CB 4.41Å; K576-H683 PolarHBondContact NZ-CE1 3.36Å; K576-M702 HydrophobicContact CG-CG 3.74Å
577	S	89.9	Confident	90.1	Very high	41 Å²	41	19.8 Å²	19.8	29%	0.287	11%	0.111	S	C	.	.	H	α-helix	trans	-61.7	-33.8	-179.8	-38.5	0	0	0	0	112.2	G575 K581 D649	G575-S577 PolarHBondContact O-N 2.94Å; S577-K581 VanDerWaalsContact O-CG 3.29Å; S577-K581 WeakPolarHBondContact O-CG 3.36Å; S577-K581 PolarHBondContact O-N 3.48Å; S577-D649 WeakPolarHBondContact CB-OD2 3.46Å; S577-D649 PolarHBondContact OG-OD2 3.08Å
578	T	91.6	Very high	90.2	Very high	57 Å²	57	19.8 Å²	19.8	35%	0.35	11%	0.111	S	C	.	.	H	α-helix	trans	-65.7	-46.8	175.5	-65.7	0	0	0	0	111	H541 L544 G575 K576 L580 K581 Q582	H541-T578 HydrophobicContact CB-CG2 4.36Å; H541-T578 PolarHBondContact CD2-O 3.06Å; L544-T578 HydrophobicContact CD1-CG2 3.2Å; G575-T578 WeakPolarHBondContact O-CA 3.4Å; G575-T578 VanDerWaalsContact O-CB 3.31Å; G575-T578 WeakPolarHBondContact O-CB 3.26Å; G575-T578 PolarHBondContact O-N 2.74Å; K576-T578 PolarHBondContact O-N 2.86Å; T578-L580 PolarHBondContact O-N 2.73Å; T578-K581 PolarHBondContact O-N 2.97Å; T578-Q582 WeakPolarHBondContact O-CB 3.46Å; T578-Q582 PolarHBondContact O-N 2.98Å
579	Y	93.7	Very high	90.4	Very high	3 Å²	3	19.8 Å²	19.8	1%	0.012	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-44.8	175.7	168.2	-105.6	0	0	0	112	N555 T557 V568 G575 K576 Q582 V583 L679 L723	N555-Y579 HydrophobicContact CB-CD2 4.04Å; N555-Y579 HydrophobicContact CB-CE2 4.21Å; T557-Y579 WeakPolarHBondContact CG2-OH 3.44Å; T557-Y579 WeakPolarHBondContact OG1-CE2 3.45Å; T557-Y579 PolarHBondContact OG1-OH 2.98Å; V568-Y579 HydrophobicContact CG2-CD1 4.49Å; V568-Y579 HydrophobicContact CG2-CE1 4.14Å; G575-Y579 PolarHBondContact O-N 3.32Å; K576-Y579 WeakPolarHBondContact O-CB 3.15Å; K576-Y579 PolarHBondContact O-N 2.98Å; K576-Y579 VanDerWaalsContact O-N 3.14Å; Y579-Q582 WeakPolarHBondContact O-CB 3.36Å; Y579-Q582 PolarHBondContact O-N 3.46Å; Y579-V583 HydrophobicContact CE2-CG2 4.07Å; Y579-V583 PolarHBondContact O-N 3.27Å; Y579-V583 VanDerWaalsContact O-N 3.17Å; Y579-L679 HydrophobicContact CE1-CD2 4.21Å; Y579-L723 HydrophobicContact CD1-CD2 4.44Å; Y579-L723 HydrophobicContact CD2-CD2 4.29Å; Y579-L723 HydrophobicContact CE1-CD2 3.77Å; Y579-L723 HydrophobicContact CE2-CD2 3.6Å; Y579-L723 VanDerWaalsContact OH-CD2 3.3Å; Y579-L723 WeakPolarHBondContact OH-CD2 3.33Å
580	L	94.3	Very high	90.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60	-49.5	177.1	-69.2	-174.3	0	0	0	112.3	K576 T578 Q582 V583 A584 I647 D649 L679 A681	K576-L580 WeakPolarHBondContact O-CG 3.5Å; K576-L580 PolarHBondContact O-N 3.06Å; T578-L580 PolarHBondContact O-N 2.73Å; L580-Q582 VanDerWaalsContact C-N 3.29Å; L580-Q582 PolarHBondContact O-N 3.48Å; L580-V583 PolarHBondContact O-N 2.69Å; L580-A584 PolarHBondContact O-N 2.85Å; L580-I647 HydrophobicContact CB-CG2 3.74Å; L580-I647 HydrophobicContact CD1-CG2 3.91Å; L580-I647 HydrophobicContact CD2-CG2 4.23Å; L580-I647 HydrophobicContact CG-CG2 4.18Å; L580-D649 HydrophobicContact CD1-CB 3.9Å; L580-L679 HydrophobicContact CD2-CB 3.57Å; L580-L679 HydrophobicContact CD2-CD1 4.28Å; L580-L679 HydrophobicContact CD2-CD2 4.39Å; L580-L679 HydrophobicContact CD2-CG 4.31Å; L580-A681 HydrophobicContact CD1-CB 3.57Å; L580-A681 HydrophobicContact CG-CB 4.41Å
581	K	93.4	Very high	91.2	Very high	40 Å²	40	19.3 Å²	19.3	17%	0.174	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-40.7	176.4	-70.6	-173.4	-171.2	-158.8	0	111.7	N206 L207 S577 T578 V583 A584 L585 I613	N206-K581 WeakPolarHBondContact O-CE 3.26Å; N206-K581 PolarHBondContact O-NZ 3.47Å; L207-K581 HydrophobicContact CD2-CB 4.3Å; L207-K581 HydrophobicContact CD2-CG 4.11Å; S577-K581 VanDerWaalsContact O-CG 3.29Å; S577-K581 WeakPolarHBondContact O-CG 3.36Å; S577-K581 PolarHBondContact O-N 3.48Å; T578-K581 PolarHBondContact O-N 2.97Å; K581-V583 VanDerWaalsContact C-N 3.35Å; K581-V583 PolarHBondContact O-N 3.11Å; K581-A584 PolarHBondContact O-N 3.26Å; K581-L585 WeakPolarHBondContact O-CB 3.38Å; K581-L585 WeakPolarHBondContact O-CG 3.33Å; K581-L585 PolarHBondContact O-N 3.41Å; K581-I613 HydrophobicContact CD-CD1 4.27Å; K581-I613 HydrophobicContact CG-CD1 3.46Å; K581-I613 VanDerWaalsContact CG-CD1 3.46Å
582	Q	95.1	Very high	92	Very high	4 Å²	4	19 Å²	19	2%	0.019	10%	0.104	C	C	.	.	H	α-helix	trans	-55.7	-48.5	177.9	169.6	-174.6	-36.1	0	0	111.8	G539 H541 T578 Y579 L580 A584 L585 C586	G539-Q582 PolarHBondContact O-NE2 2.96Å; H541-Q582 HydrophobicContact CB-CB 4.03Å; H541-Q582 HydrophobicContact CB-CG 4.37Å; T578-Q582 WeakPolarHBondContact O-CB 3.46Å; T578-Q582 PolarHBondContact O-N 2.98Å; Y579-Q582 WeakPolarHBondContact O-CB 3.36Å; Y579-Q582 PolarHBondContact O-N 3.46Å; L580-Q582 VanDerWaalsContact C-N 3.29Å; L580-Q582 PolarHBondContact O-N 3.48Å; Q582-A584 VanDerWaalsContact C-N 3.35Å; Q582-A584 PolarHBondContact O-N 2.95Å; Q582-L585 PolarHBondContact O-N 3.4Å; Q582-C586 WeakPolarHBondContact O-CB 3.4Å; Q582-C586 PolarHBondContact O-N 3.37Å; Q582-C586 PolarHBondContact O-SG 3.05Å
583	V	96.1	Very high	92.8	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-44.8	-179.8	177.9	0	0	0	0	110.9	L534 I536 T557 Y579 L580 K581 C586 Q587 L679	L534-V583 HydrophobicContact CD1-CG1 3.85Å; L534-V583 HydrophobicContact CD2-CG1 4.04Å; I536-V583 HydrophobicContact CD1-CG1 4.31Å; I536-V583 HydrophobicContact CD1-CG2 4.44Å; T557-V583 HydrophobicContact CG2-CG1 4.47Å; T557-V583 HydrophobicContact CG2-CG2 3.99Å; Y579-V583 HydrophobicContact CE2-CG2 4.07Å; Y579-V583 PolarHBondContact O-N 3.27Å; Y579-V583 VanDerWaalsContact O-N 3.17Å; L580-V583 PolarHBondContact O-N 2.69Å; K581-V583 VanDerWaalsContact C-N 3.35Å; K581-V583 PolarHBondContact O-N 3.11Å; V583-C586 PolarHBondContact O-N 3.22Å; V583-Q587 PolarHBondContact O-N 2.83Å; V583-L679 HydrophobicContact CB-CD1 3.99Å; V583-L679 HydrophobicContact CG1-CD1 3.81Å; V583-L679 HydrophobicContact CG2-CD1 4.2Å
584	A	95.4	Very high	93.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-60.6	-46.5	177.6	0	0	0	0	0	112.5	L207 L580 K581 Q582 C586 Q587 I588 I647	L207-A584 HydrophobicContact CD1-CB 3.83Å; L207-A584 HydrophobicContact CD2-CB 3.52Å; L207-A584 HydrophobicContact CG-CB 4.33Å; L580-A584 PolarHBondContact O-N 2.85Å; K581-A584 PolarHBondContact O-N 3.26Å; Q582-A584 VanDerWaalsContact C-N 3.35Å; Q582-A584 PolarHBondContact O-N 2.95Å; A584-C586 VanDerWaalsContact C-N 3.34Å; A584-C586 PolarHBondContact O-N 3.23Å; A584-Q587 WeakPolarHBondContact O-CB 3.41Å; A584-Q587 PolarHBondContact O-N 3.49Å; A584-I588 WeakPolarHBondContact O-CG1 3.3Å; A584-I588 PolarHBondContact O-N 3.15Å; A584-I647 HydrophobicContact CB-CD1 3.42Å; A584-I647 VanDerWaalsContact CB-CD1 3.42Å
585	L	96.2	Very high	94.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.4	-39.8	-179.1	-68.3	171.7	0	0	0	111.1	L207 L209 L222 H541 P542 I543 K581 Q582 I588 M589	L207-L585 HydrophobicContact CB-CD2 4.28Å; L209-L585 HydrophobicContact CD2-CD2 3.67Å; L222-L585 HydrophobicContact CB-CD2 4.11Å; L222-L585 HydrophobicContact CD1-CD2 4.32Å; L222-L585 HydrophobicContact CD2-CD2 3.89Å; L222-L585 HydrophobicContact CG-CD2 4.32Å; H541-L585 WeakPolarHBondContact CE1-CD1 3.49Å; P542-L585 HydrophobicContact CG-CB 3.92Å; P542-L585 HydrophobicContact CG-CD1 4.02Å; I543-L585 HydrophobicContact CD1-CD1 4.03Å; I543-L585 HydrophobicContact CG1-CD1 4.27Å; K581-L585 WeakPolarHBondContact O-CB 3.38Å; K581-L585 WeakPolarHBondContact O-CG 3.33Å; K581-L585 PolarHBondContact O-N 3.41Å; Q582-L585 PolarHBondContact O-N 3.4Å; L585-I588 PolarHBondContact O-N 3.2Å; L585-M589 WeakPolarHBondContact O-CB 3.26Å; L585-M589 VanDerWaalsContact O-CG 3.23Å; L585-M589 WeakPolarHBondContact O-CG 3.28Å; L585-M589 PolarHBondContact O-N 3.41Å
586	C	96.4	Very high	94.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.4	-41	175.3	-65.9	0	0	0	0	111.9	I536 Q582 V583 A584 M589 A590 V596 F603	I536-C586 HydrophobicContact CD1-CB 4.03Å; Q582-C586 WeakPolarHBondContact O-CB 3.4Å; Q582-C586 PolarHBondContact O-N 3.37Å; Q582-C586 PolarHBondContact O-SG 3.05Å; V583-C586 PolarHBondContact O-N 3.22Å; A584-C586 VanDerWaalsContact C-N 3.34Å; A584-C586 PolarHBondContact O-N 3.23Å; C586-M589 PolarHBondContact O-N 3.06Å; C586-A590 WeakPolarHBondContact O-CB 3.18Å; C586-A590 PolarHBondContact O-N 2.98Å; C586-V596 WeakPolarHBondContact O-CG1 3.5Å; C586-F603 HydrophobicContact CB-CE1 4.07Å; C586-F603 HydrophobicContact CB-CZ 3.76Å
587	Q	96.7	Very high	95.2	Very high	3 Å²	3	7.5 Å²	7.5	1%	0.014	4%	0.043	C	C	.	.	H	α-helix	trans	-59.2	-47.5	174	179.4	74.6	31.4	0	0	111.5	V583 A584 A590 Q591 F603 R604 A606 I609 L645	V583-Q587 PolarHBondContact O-N 2.83Å; A584-Q587 WeakPolarHBondContact O-CB 3.41Å; A584-Q587 PolarHBondContact O-N 3.49Å; Q587-A590 PolarHBondContact O-N 3.43Å; Q587-Q591 PolarHBondContact O-N 3.15Å; Q587-F603 HydrophobicContact CB-CD1 4.37Å; Q587-F603 HydrophobicContact CB-CE1 4.45Å; Q587-R604 PolarHBondContact NE2-O 3.03Å; Q587-A606 HydrophobicContact CG-CB 4.33Å; Q587-I609 HydrophobicContact CG-CD1 3.92Å; Q587-L645 HydrophobicContact CB-CD2 3.98Å; Q587-L645 HydrophobicContact CG-CD2 3.87Å
588	I	96	Very high	95.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.3	-47.7	178.3	-68.4	167.6	0	0	0	110.2	I199 L207 L209 L222 P245 A584 L585 A590 Q591 I592 I609	I199-I588 HydrophobicContact CD1-CD1 3.79Å; I199-I588 HydrophobicContact CD1-CG1 4.01Å; L207-I588 HydrophobicContact CD1-CD1 3.7Å; L209-I588 HydrophobicContact CD1-CD1 4.09Å; L209-I588 HydrophobicContact CD2-CD1 3.67Å; L222-I588 HydrophobicContact CD2-CG2 3.93Å; P245-I588 HydrophobicContact CG-CG2 4.02Å; A584-I588 WeakPolarHBondContact O-CG1 3.3Å; A584-I588 PolarHBondContact O-N 3.15Å; L585-I588 PolarHBondContact O-N 3.2Å; I588-A590 VanDerWaalsContact C-N 3.29Å; I588-A590 PolarHBondContact O-N 3.23Å; I588-Q591 PolarHBondContact O-N 3.39Å; I588-I592 HydrophobicContact CG2-CG2 4.4Å; I588-I592 WeakPolarHBondContact O-CG2 3.46Å; I588-I592 PolarHBondContact O-N 3.28Å; I588-I609 HydrophobicContact CD1-CD1 4.33Å; I588-I609 HydrophobicContact CG1-CD1 3.62Å
589	M	96.9	Very high	95.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-57.3	-41.4	177	-75.2	177.4	65.6	0	0	112.1	L222 L226 Y525 P542 L585 C586 I592 S594 F595 V596	L222-M589 HydrophobicContact CD1-CG 3.93Å; L222-M589 HydrophobicContact CD1-SD 3.81Å; L222-M589 HydrophobicContact CD2-CG 4.42Å; L226-M589 HydrophobicContact CD1-CG 4.23Å; L226-M589 HydrophobicContact CD2-CE 3.9Å; Y525-M589 HydrophobicContact CD2-CE 4.18Å; Y525-M589 HydrophobicContact CE2-CE 3.75Å; P542-M589 HydrophobicContact CB-SD 3.96Å; P542-M589 HydrophobicContact CG-SD 3.83Å; L585-M589 WeakPolarHBondContact O-CB 3.26Å; L585-M589 VanDerWaalsContact O-CG 3.23Å; L585-M589 WeakPolarHBondContact O-CG 3.28Å; L585-M589 PolarHBondContact O-N 3.41Å; C586-M589 PolarHBondContact O-N 3.06Å; M589-I592 WeakPolarHBondContact O-CG1 3.32Å; M589-S594 WeakPolarHBondContact O-CA 3.14Å; M589-S594 VanDerWaalsContact O-CB 3.24Å; M589-S594 WeakPolarHBondContact O-CB 3.45Å; M589-S594 PolarHBondContact O-N 3.43Å; M589-F595 VanDerWaalsContact CE-O 3.23Å; M589-F595 WeakPolarHBondContact CE-O 3.38Å; M589-V596 HydrophobicContact CB-CG1 3.89Å
590	A	96.7	Very high	95.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.1	-49.7	175	0	0	0	0	0	111.5	I252 P528 F530 C586 Q587 I588 I592 G593 V596 F603	I252-A590 WeakPolarHBondContact CG2-O 3.34Å; P528-A590 HydrophobicContact CB-CB 3.97Å; P528-A590 HydrophobicContact CG-CB 3.89Å; F530-A590 HydrophobicContact CE1-CB 4.32Å; F530-A590 HydrophobicContact CZ-CB 4.02Å; F530-A590 WeakPolarHBondContact CZ-O 3.47Å; C586-A590 WeakPolarHBondContact O-CB 3.18Å; C586-A590 PolarHBondContact O-N 2.98Å; Q587-A590 PolarHBondContact O-N 3.43Å; I588-A590 VanDerWaalsContact C-N 3.29Å; I588-A590 PolarHBondContact O-N 3.23Å; A590-I592 VanDerWaalsContact C-N 3.35Å; A590-I592 PolarHBondContact O-N 3.3Å; A590-G593 WeakPolarHBondContact O-CA 3.46Å; A590-G593 PolarHBondContact O-N 2.76Å; A590-V596 HydrophobicContact CB-CG1 4.14Å; A590-F603 HydrophobicContact CB-CD2 3.39Å; A590-F603 HydrophobicContact CB-CE2 3.63Å; A590-F603 HydrophobicContact CB-CG 4.01Å; A590-F603 HydrophobicContact CB-CZ 4.42Å
591	Q	95.7	Very high	95.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-72.2	-18.7	-176.3	-73.8	-169.6	-113.5	0	0	115.2	T197 P245 L246 F530 Q587 I588 G593 I605 A606	T197-Q591 PolarHBondContact OG1-NE2 3.27Å; P245-Q591 HydrophobicContact CB-CB 3.63Å; L246-Q591 PolarHBondContact N-O 2.85Å; L246-Q591 VanDerWaalsContact N-O 3.11Å; L246-Q591 PolarHBondContact O-NE2 3.22Å; F530-Q591 HydrophobicContact CE1-CG 4.2Å; Q587-Q591 PolarHBondContact O-N 3.15Å; I588-Q591 PolarHBondContact O-N 3.39Å; Q591-G593 PolarHBondContact O-N 3.38Å; Q591-I605 HydrophobicContact CG-CD1 4.15Å; Q591-A606 PolarHBondContact NE2-O 2.77Å; Q591-A606 VanDerWaalsContact NE2-O 3.12Å; Q591-A606 VanDerWaalsContact OE1-N 3.08Å; Q591-A606 PolarHBondContact OE1-O 3.02Å
592	I	94.5	Very high	95.9	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.01	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13	167	65.7	173	0	0	0	112.5	L226 N241 I242 P245 R255 L516 I588 M589 A590	L226-I592 HydrophobicContact CD1-CD1 3.76Å; N241-I592 HydrophobicContact CB-CB 4.47Å; N241-I592 HydrophobicContact CB-CG2 4.29Å; N241-I592 WeakPolarHBondContact O-CG2 3.37Å; I242-I592 HydrophobicContact CG1-CD1 4.33Å; P245-I592 HydrophobicContact CB-CG2 4.13Å; P245-I592 HydrophobicContact CG-CG2 4.26Å; R255-I592 PolarHBondContact NH1-O 3.4Å; L516-I592 HydrophobicContact CD2-CD1 4.19Å; I588-I592 HydrophobicContact CG2-CG2 4.4Å; I588-I592 WeakPolarHBondContact O-CG2 3.46Å; I588-I592 PolarHBondContact O-N 3.28Å; M589-I592 WeakPolarHBondContact O-CG1 3.32Å; A590-I592 VanDerWaalsContact C-N 3.35Å; A590-I592 PolarHBondContact O-N 3.3Å
593	G	94.6	Very high	95.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	31.2	-173.2	0	0	0	0	0	113.5	I259 A590 Q591	I259-G593 WeakPolarHBondContact CD1-O 3.42Å; A590-G593 WeakPolarHBondContact O-CA 3.46Å; A590-G593 PolarHBondContact O-N 2.76Å; Q591-G593 PolarHBondContact O-N 3.38Å
594	S	96.4	Very high	95.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	5%	0.053	C	C	.	.			trans	-96.3	158.9	171	-176.2	0	0	0	0	110.8	M589	M589-S594 WeakPolarHBondContact O-CA 3.14Å; M589-S594 VanDerWaalsContact O-CB 3.24Å; M589-S594 WeakPolarHBondContact O-CB 3.45Å; M589-S594 PolarHBondContact O-N 3.43Å
595	F	97	Very high	95.8	Very high	8 Å²	8	13.6 Å²	13.6	4%	0.035	6%	0.06	C	C	.	.			trans	-74.7	160.2	164.1	-68	18.5	0	0	0	109.1	L256 I259 Q260 L263 V526 R527 M589	L256-F595 HydrophobicContact CD2-CD1 3.74Å; L256-F595 HydrophobicContact CD2-CE1 3.9Å; I259-F595 HydrophobicContact CB-CE1 4.18Å; I259-F595 HydrophobicContact CG2-CD1 4.07Å; I259-F595 HydrophobicContact CG2-CE1 3.8Å; I259-F595 HydrophobicContact CG2-CZ 4.16Å; Q260-F595 HydrophobicContact CB-CZ 4.2Å; L263-F595 HydrophobicContact CD1-CD2 4.06Å; L263-F595 HydrophobicContact CD1-CE2 3.61Å; L263-F595 HydrophobicContact CD1-CZ 4.06Å; V526-F595 WeakPolarHBondContact O-CA 3.48Å; V526-F595 WeakPolarHBondContact O-CB 3.35Å; R527-F595 HydrophobicContact CB-CD1 4.18Å; R527-F595 HydrophobicContact CB-CD2 4.2Å; R527-F595 HydrophobicContact CB-CE1 3.85Å; R527-F595 HydrophobicContact CB-CE2 3.85Å; R527-F595 HydrophobicContact CB-CG 4.37Å; R527-F595 HydrophobicContact CB-CZ 3.67Å; R527-F595 HydrophobicContact CG-CD1 4.46Å; R527-F595 HydrophobicContact CG-CE1 3.94Å; R527-F595 HydrophobicContact CG-CZ 4.1Å; M589-F595 VanDerWaalsContact CE-O 3.23Å; M589-F595 WeakPolarHBondContact CE-O 3.38Å
596	V	96.9	Very high	95.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-119.8	149.3	-172	-62.3	0	0	0	0	112.2	Y525 V526 P528 C586 M589 A590 A598 A601 F603	Y525-V596 CarbonylContact C-O 3.58Å; Y525-V596 WeakPolarHBondContact CA-O 3.27Å; V526-V596 PolarHBondContact N-O 3.05Å; V526-V596 PolarHBondContact O-N 2.59Å; P528-V596 HydrophobicContact CB-CG2 4.32Å; P528-V596 HydrophobicContact CG-CG1 4.47Å; C586-V596 WeakPolarHBondContact O-CG1 3.5Å; M589-V596 HydrophobicContact CB-CG1 3.89Å; A590-V596 HydrophobicContact CB-CG1 4.14Å; V596-A598 VanDerWaalsContact C-N 3.33Å; V596-A598 HydrophobicContact CG2-CB 4.41Å; V596-A598 PolarHBondContact O-N 2.79Å; V596-A601 HydrophobicContact CG2-CB 3.33Å; V596-F603 HydrophobicContact CG1-CE2 4.09Å; V596-F603 HydrophobicContact CG1-CZ 4.39Å; V596-F603 HydrophobicContact CG2-CE2 4.14Å
597	P	95.4	Very high	95.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-75.6	77	-179.3	32.5	-38.8	0	0	0	112.1	Y525 G539 R540 P542	Y525-P597 HydrophobicContact CD1-CB 3.79Å; Y525-P597 HydrophobicContact CE1-CB 3.54Å; Y525-P597 HydrophobicContact CE1-CG 4.43Å; G539-P597 CarbonylContact C-O 3.56Å; G539-P597 WeakPolarHBondContact CA-O 3.34Å; R540-P597 HydrophobicContact CB-CB 4.24Å; R540-P597 PolarHBondContact N-O 3.42Å; R540-P597 WeakPolarHBondContact O-CG 3.26Å; P542-P597 HydrophobicContact CB-CG 4.24Å
598	A	95.3	Very high	94.7	Very high	4 Å²	4	17.1 Å²	17.1	3%	0.033	8%	0.078	C	C	.	.	S	Bend	trans	-151.8	169.2	-179.2	0	0	0	0	0	111	V526 I536 V596 A601	V526-A598 WeakPolarHBondContact CB-O 3.45Å; V526-A598 WeakPolarHBondContact CG2-O 3.41Å; I536-A598 HydrophobicContact CG2-CB 3.83Å; V596-A598 VanDerWaalsContact C-N 3.33Å; V596-A598 HydrophobicContact CG2-CB 4.41Å; V596-A598 PolarHBondContact O-N 2.79Å; A598-A601 HydrophobicContact CB-CB 4.3Å
599	E	94.4	Very high	94.5	Very high	106 Å²	106	17.1 Å²	17.1	50%	0.495	8%	0.078	S	C	.	.	S	Bend	trans	-81.7	-34.3	169.3	-170	-164.9	154.9	0	0	111.3	K537 Q538	K537-E599 WeakPolarHBondContact CD-OE2 3.45Å; K537-E599 WeakPolarHBondContact CE-OE2 3.27Å; K537-E599 IonicContact NZ-OE1 3.09Å; K537-E599 PolarHBondContact NZ-OE1 3.07Å; K537-E599 IonicContact NZ-OE2 2.84Å; K537-E599 PolarHBondContact NZ-OE2 3.31Å; K537-E599 VanDerWaalsContact NZ-OE2 3.09Å; K537-E599 PolarHBondContact O-N 3.17Å; Q538-E599 HydrophobicContact CB-CB 4.09Å
600	Y	95.6	Very high	94	Very high	101 Å²	101	17.3 Å²	17.3	40%	0.396	8%	0.079	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	141.6	173.9	169.2	-92.2	0	0	0	108.6	A535 K537	A535-Y600 HydrophobicContact CB-CE1 4.29Å; K537-Y600 PolarHBondContact N-O 3.09Å
601	A	96.5	Very high	93.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	133.4	177	0	0	0	0	0	112.2	P528 E529 A535 V596 A598 F603	P528-A601 WeakPolarHBondContact CA-O 3.46Å; P528-A601 HydrophobicContact CB-CB 4.49Å; E529-A601 PolarHBondContact N-O 3.38Å; A535-A601 CarbonylContact O-C 3.57Å; A535-A601 VanDerWaalsContact O-CA 3.27Å; A535-A601 WeakPolarHBondContact O-CA 3.13Å; V596-A601 HydrophobicContact CG2-CB 3.33Å; A598-A601 HydrophobicContact CB-CB 4.3Å; A601-F603 HydrophobicContact CB-CD2 4.45Å; A601-F603 HydrophobicContact CB-CE2 3.57Å; A601-F603 HydrophobicContact CB-CZ 4.01Å
602	S	95.8	Very high	93.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.3	170.2	166.6	0	0	0	0	108.7	E529 T531 T533 L534 A535	E529-S602 CarbonylContact O-C 3.58Å; E529-S602 VanDerWaalsContact O-CA 3.23Å; E529-S602 WeakPolarHBondContact O-CA 3.24Å; T531-S602 PolarHBondContact OG1-OG 3.45Å; T533-S602 CarbonylContact O-C 3.47Å; T533-S602 PolarHBondContact O-OG 2.81Å; L534-S602 CarbonylContact C-O 3.55Å; L534-S602 WeakPolarHBondContact CA-O 3.3Å; A535-S602 PolarHBondContact N-O 3.19Å; A535-S602 PolarHBondContact O-N 3.33Å
603	F	96	Very high	92.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.5	-179.1	-61.3	-82.1	0	0	0	111.7	P528 E529 F530 T531 T533 L534 I536 C586 Q587 A590 V596 A601	P528-F603 HydrophobicContact CB-CD2 3.82Å; P528-F603 HydrophobicContact CB-CE2 3.84Å; E529-F603 PolarHBondContact O-N 2.99Å; F530-F603 VanDerWaalsContact CA-O 3.3Å; F530-F603 WeakPolarHBondContact CA-O 3.33Å; F530-F603 HydrophobicContact CD1-CB 4.4Å; F530-F603 HydrophobicContact CE1-CB 4.33Å; T531-F603 PolarHBondContact N-O 3.21Å; T531-F603 VanDerWaalsContact O-O 3.12Å; T533-F603 CarbonylContact O-C 3.58Å; T533-F603 WeakPolarHBondContact O-CA 3.3Å; T533-F603 PolarHBondContact O-N 3.39Å; L534-F603 HydrophobicContact CD1-CD1 4.41Å; L534-F603 HydrophobicContact CG-CD1 4.09Å; L534-F603 HydrophobicContact CG-CE1 4.46Å; I536-F603 HydrophobicContact CD1-CE1 3.75Å; I536-F603 HydrophobicContact CD1-CZ 4.03Å; I536-F603 HydrophobicContact CG1-CE1 3.91Å; I536-F603 HydrophobicContact CG1-CZ 3.99Å; C586-F603 HydrophobicContact CB-CE1 4.07Å; C586-F603 HydrophobicContact CB-CZ 3.76Å; Q587-F603 HydrophobicContact CB-CD1 4.37Å; Q587-F603 HydrophobicContact CB-CE1 4.45Å; A590-F603 HydrophobicContact CB-CD2 3.39Å; A590-F603 HydrophobicContact CB-CE2 3.63Å; A590-F603 HydrophobicContact CB-CG 4.01Å; A590-F603 HydrophobicContact CB-CZ 4.42Å; V596-F603 HydrophobicContact CG1-CE2 4.09Å; V596-F603 HydrophobicContact CG1-CZ 4.39Å; V596-F603 HydrophobicContact CG2-CE2 4.14Å; A601-F603 HydrophobicContact CB-CD2 4.45Å; A601-F603 HydrophobicContact CB-CE2 3.57Å; A601-F603 HydrophobicContact CB-CZ 4.01Å
604	R	94.1	Very high	90.7	Very high	33 Å²	33	21.3 Å²	21.3	13%	0.125	11%	0.112	C	C	.	.	P	Polyproline II helix	trans	-84.8	134.9	161.9	-172.6	176.6	70.6	148.3	6.8	108.6	T531 T533 Q587 A606 D642 F677	T531-R604 WeakPolarHBondContact O-CA 3.47Å; T533-R604 PolarHBondContact O-N 3.06Å; Q587-R604 PolarHBondContact NE2-O 3.03Å; R604-A606 PolarHBondContact O-N 3.42Å; R604-D642 PolarHBondContact NH1-O 3.48Å; R604-D642 PolarHBondContact NH2-O 2.96Å; R604-F677 HydrophobicContact CB-CD2 4.49Å; R604-F677 HydrophobicContact CB-CE2 3.75Å; R604-F677 HydrophobicContact CB-CZ 4.36Å; R604-F677 HydrophobicContact CG-CE2 4.44Å; R604-F677 VanDerWaalsContact CZ-CE1 3.49Å; R604-F677 VanDerWaalsContact NE-CE2 3.33Å; R604-F677 VanDerWaalsContact NE-CZ 3.34Å; R604-F677 VanDerWaalsContact NH2-CD1 3.33Å
605	I	94.1	Very high	88.6	Confident	28 Å²	28	25.5 Å²	25.5	14%	0.144	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-59.6	122.4	176.7	-66	-67.6	0	0	0	109.5	L247 V249 I252 F530 Q591	L247-I605 HydrophobicContact CB-CG2 4.38Å; L247-I605 HydrophobicContact CD2-CG2 3.89Å; V249-I605 HydrophobicContact CG2-CD1 3.86Å; V249-I605 HydrophobicContact CG2-CG1 3.55Å; I252-I605 HydrophobicContact CD1-CD1 3.79Å; F530-I605 HydrophobicContact CD1-CD1 3.37Å; F530-I605 HydrophobicContact CD1-CG1 4.01Å; F530-I605 HydrophobicContact CE1-CD1 3.46Å; F530-I605 VanDerWaalsContact CE1-CD1 3.46Å; F530-I605 HydrophobicContact CG-CD1 4.24Å; F530-I605 HydrophobicContact CZ-CD1 4.39Å; Q591-I605 HydrophobicContact CG-CD1 4.15Å
606	A	92.6	Very high	86.4	Confident	4 Å²	4	32.5 Å²	32.5	3%	0.033	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-96.9	123.4	175.6	0	0	0	0	0	109.7	T197 L247 Q587 Q591 R604 I609 R643 L645	T197-A606 WeakPolarHBondContact CG2-O 3.26Å; T197-A606 PolarHBondContact OG1-O 2.59Å; L247-A606 WeakPolarHBondContact CD2-O 3.38Å; Q587-A606 HydrophobicContact CG-CB 4.33Å; Q591-A606 PolarHBondContact NE2-O 2.77Å; Q591-A606 VanDerWaalsContact NE2-O 3.12Å; Q591-A606 VanDerWaalsContact OE1-N 3.08Å; Q591-A606 PolarHBondContact OE1-O 3.02Å; R604-A606 PolarHBondContact O-N 3.42Å; A606-I609 HydrophobicContact CB-CG1 4.03Å; A606-R643 WeakPolarHBondContact CA-O 3.5Å; A606-L645 HydrophobicContact CB-CB 4.14Å
607	D	88.3	Confident	83.9	Confident	39 Å²	39	38 Å²	38	21%	0.209	20%	0.204	C	C	.	.	S	Bend	trans	-77.2	-31.9	174.2	65.1	-22.9	0	0	0	112.1	T197 M198 L247 S641 R643 S644	T197-D607 CarbonylContact C-O 3.49Å; T197-D607 VanDerWaalsContact CA-O 3.3Å; T197-D607 WeakPolarHBondContact CA-O 3.47Å; M198-D607 PolarHBondContact N-O 3.24Å; L247-D607 HydrophobicContact CD2-CB 4.39Å; D607-S641 PolarHBondContact OD1-OG 3.45Å; D607-S641 WeakPolarHBondContact OD2-CB 3.26Å; D607-S641 PolarHBondContact OD2-OG 3.15Å; D607-R643 HydrophobicContact CB-CB 4.47Å; D607-S644 WeakPolarHBondContact OD1-CA 3.47Å; D607-S644 PolarHBondContact OD1-N 3.25Å; D607-S644 VanDerWaalsContact OD1-N 3.14Å; D607-S644 PolarHBondContact OD1-OG 3.13Å
608	Q	86.9	Confident	81.4	Confident	35 Å²	35	42.6 Å²	42.6	16%	0.164	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.2	177.7	-46.2	-172.8	50.3	0	0	110	M198 F610 N639 S644 L645	M198-Q608 HydrophobicContact CB-CB 4.37Å; M198-Q608 HydrophobicContact CB-CG 4.08Å; M198-Q608 WeakPolarHBondContact O-CA 3.38Å; Q608-F610 HydrophobicContact CB-CD2 4.35Å; Q608-F610 HydrophobicContact CB-CE2 3.62Å; Q608-F610 HydrophobicContact CB-CZ 3.84Å; Q608-F610 HydrophobicContact CG-CZ 4.47Å; Q608-N639 PolarHBondContact NE2-O 3.44Å; Q608-N639 PolarHBondContact OE1-O 3.47Å; Q608-S644 WeakPolarHBondContact O-CA 3.25Å; Q608-L645 PolarHBondContact O-N 3.32Å
609	I	90.3	Very high	79.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112.9	175.1	-58.7	173.7	0	0	0	107.9	T197 M198 I199 Q587 I588 A606 T611 L645	T197-I609 HydrophobicContact CG2-CD1 3.95Å; T197-I609 HydrophobicContact CG2-CG1 3.81Å; M198-I609 PolarHBondContact O-N 2.9Å; I199-I609 HydrophobicContact CG1-CB 4.4Å; Q587-I609 HydrophobicContact CG-CD1 3.92Å; I588-I609 HydrophobicContact CD1-CD1 4.33Å; I588-I609 HydrophobicContact CG1-CD1 3.62Å; A606-I609 HydrophobicContact CB-CG1 4.03Å; I609-T611 HydrophobicContact CG2-CG2 4.26Å; I609-L645 WeakPolarHBondContact CA-O 3.38Å; I609-L645 HydrophobicContact CG1-CB 4.37Å; I609-L645 HydrophobicContact CG2-CD2 4.48Å
610	F	87.4	Confident	76.8	Confident	3 Å²	3	55.1 Å²	55.1	1%	0.013	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	134.1	177.8	-60.3	-72.9	0	0	0	110.5	Q608 Y635 I636 N639 A640 L645 I647	Q608-F610 HydrophobicContact CB-CD2 4.35Å; Q608-F610 HydrophobicContact CB-CE2 3.62Å; Q608-F610 HydrophobicContact CB-CZ 3.84Å; Q608-F610 HydrophobicContact CG-CZ 4.47Å; F610-Y635 HydrophobicContact CD1-CD1 4.4Å; F610-Y635 HydrophobicContact CD1-CE1 4.08Å; F610-Y635 HydrophobicContact CE1-CD1 4.19Å; F610-Y635 AromaticContact CE1-CE1 3.67Å; F610-Y635 HydrophobicContact CE1-CE1 3.67Å; F610-I636 HydrophobicContact CB-CD1 4.03Å; F610-I636 HydrophobicContact CB-CG1 3.87Å; F610-I636 HydrophobicContact CB-CG2 4.22Å; F610-I636 HydrophobicContact CD1-CG1 4.03Å; F610-I636 HydrophobicContact CD2-CG2 4.22Å; F610-I636 HydrophobicContact CG-CB 4.48Å; F610-I636 HydrophobicContact CG-CG1 4.02Å; F610-I636 HydrophobicContact CG-CG2 4.15Å; F610-N639 HydrophobicContact CE1-CB 4.2Å; F610-N639 HydrophobicContact CZ-CB 3.75Å; F610-A640 HydrophobicContact CE2-CB 4Å; F610-L645 PolarHBondContact N-O 3.37Å; F610-I647 PolarHBondContact O-N 3.28Å
611	T	87.3	Confident	74.6	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	118.4	175.2	72.6	0	0	0	0	110.6	S203 N206 L207 I609 I647	S203-T611 WeakPolarHBondContact CA-OG1 3.46Å; S203-T611 VanDerWaalsContact CB-OG1 3.24Å; S203-T611 WeakPolarHBondContact CB-OG1 3.38Å; S203-T611 PolarHBondContact OG-N 3.33Å; S203-T611 PolarHBondContact OG-O 2.93Å; S203-T611 PolarHBondContact OG-OG1 2.82Å; N206-T611 PolarHBondContact ND2-O 2.62Å; N206-T611 VanDerWaalsContact ND2-O 3.11Å; L207-T611 HydrophobicContact CD1-CG2 3.85Å; L207-T611 HydrophobicContact CD2-CG2 4.02Å; L207-T611 HydrophobicContact CG-CG2 3.93Å; I609-T611 HydrophobicContact CG2-CG2 4.26Å; T611-I647 CarbonylContact C-O 3.55Å; T611-I647 VanDerWaalsContact CA-O 3.32Å; T611-I647 WeakPolarHBondContact CA-O 3.42Å; T611-I647 HydrophobicContact CG2-CB 4.13Å; T611-I647 HydrophobicContact CG2-CD1 4.18Å
612	R	85.5	Confident	72.4	Confident	18 Å²	18	62 Å²	62	7%	0.068	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	97.8	163	170.9	66.7	-166.9	141.5	3.3	106.7	E629 E632 I636 I647 I648 D649	R612-E629 IonicContact NH2-OE1 2.74Å; R612-E629 PolarHBondContact NH2-OE1 3.28Å; R612-E632 WeakPolarHBondContact CD-OE2 3.42Å; R612-E632 IonicContact CZ-OE2 3.06Å; R612-E632 VanDerWaalsContact CZ-OE2 3.23Å; R612-E632 IonicContact NE-OE2 3.74Å; R612-E632 PolarHBondContact NE-OE2 3.36Å; R612-E632 IonicContact NH1-OE1 3.93Å; R612-E632 IonicContact NH1-OE2 3.12Å; R612-E632 PolarHBondContact NH1-OE2 3.37Å; R612-I636 HydrophobicContact CB-CD1 4.36Å; R612-I647 PolarHBondContact N-O 2.72Å; R612-I648 HydrophobicContact CB-CG1 4.5Å; R612-D649 PolarHBondContact O-N 3.47Å
613	I	77.8	Confident	70.5	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.046	35%	0.349	C	S	.	.			trans	-122.9	120.4	173.2	-55.7	177.5	0	0	0	105.9	N206 K581 V615 I647 D649	N206-I613 HydrophobicContact CB-CB 4.31Å; N206-I613 PolarHBondContact ND2-N 2.83Å; N206-I613 PolarHBondContact OD1-O 2.98Å; K581-I613 HydrophobicContact CD-CD1 4.27Å; K581-I613 HydrophobicContact CG-CD1 3.46Å; K581-I613 VanDerWaalsContact CG-CD1 3.46Å; I613-V615 PolarHBondContact O-N 3.4Å; I613-I647 HydrophobicContact CD1-CG2 4.38Å; I613-I647 HydrophobicContact CG1-CG2 4.46Å; I613-D649 HydrophobicContact CB-CB 4.44Å; I613-D649 HydrophobicContact CG1-CB 4.26Å; I613-D649 HydrophobicContact CG2-CB 4.32Å
614	G	62.1	Low	69.2	Low	53 Å²	53	68.1 Å²	68.1	55%	0.546	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-46.7	128.8	-170.4	0	0	0	0	0	112.9
615	V	52.5	Low	68.1	Low	89 Å²	89	69.8 Å²	69.8	54%	0.539	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-103.2	133.9	168.2	-174.6	0	0	0	0	106.6	N206 I613	N206-V615 VanDerWaalsContact OD1-CG2 3.28Å; N206-V615 WeakPolarHBondContact OD1-CG2 3.46Å; I613-V615 PolarHBondContact O-N 3.4Å
616	D	50.6	Low	67.4	Low	155 Å²	155	70.4 Å²	70.4	83%	0.829	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-58.4	149	173	-71.1	-44.8	0	0	0	110.8	D618	D616-D618 PolarHBondContact O-N 3.1Å
617	D	43.9	Very low	66.5	Low	114 Å²	114	75 Å²	75	61%	0.61	41%	0.411	S	S	*	.			trans	-34.7	112.3	-174.6	-65.7	-36.4	0	0	0	114.7	F619 T625	D617-F619 HydrophobicContact CB-CD2 4.4Å; D617-F619 HydrophobicContact CB-CE2 4.42Å; D617-F619 PolarHBondContact O-N 2.96Å; D617-T625 VanDerWaalsContact OD1-CG2 3.25Å; D617-T625 WeakPolarHBondContact OD1-CG2 3.44Å
618	D	42.4	Very low	65.7	Low	97 Å²	97	75.9 Å²	75.9	52%	0.519	42%	0.415	S	S	.	.			trans	-86	94.2	167.1	-162.6	-0.9	0	0	0	109.5	D616 E620 T621	D616-D618 PolarHBondContact O-N 3.1Å; D618-E620 PolarHBondContact O-N 3.34Å; D618-E620 VanDerWaalsContact O-N 3.08Å; D618-E620 PolarHBondContact OD1-N 3.06Å; D618-T621 PolarHBondContact O-N 3.03Å
619	F	47.6	Very low	65.3	Low	194 Å²	194	75 Å²	75	85%	0.851	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.6	179	-93.1	-92.1	0	0	0	113.6	D617	D617-F619 HydrophobicContact CB-CD2 4.4Å; D617-F619 HydrophobicContact CB-CE2 4.42Å; D617-F619 PolarHBondContact O-N 2.96Å
620	E	44.6	Very low	64.9	Low	180 Å²	180	77.1 Å²	77.1	84%	0.841	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-21.6	-174.3	-68.1	-168.2	159.5	0	0	113.7	D618	D618-E620 PolarHBondContact O-N 3.34Å; D618-E620 VanDerWaalsContact O-N 3.08Å; D618-E620 PolarHBondContact OD1-N 3.06Å
621	T	51.4	Low	64.2	Low	64 Å²	64	81.3 Å²	81.3	39%	0.393	44%	0.439	S	S	.	.	S	Bend	trans	-95.3	120.7	176.9	68	0	0	0	0	110.2	D618 S623	D618-T621 PolarHBondContact O-N 3.03Å; T621-S623 PolarHBondContact O-N 3.2Å
622	N	50.2	Low	63.6	Low	182 Å²	182	82.3 Å²	82.3	97%	0.973	44%	0.444	S	S	*	.			trans	-70.7	34.6	-178.6	-137.1	7.5	0	0	0	112.9
623	S	55.6	Low	63.6	Low	55 Å²	55	81.8 Å²	81.8	39%	0.385	44%	0.442	S	S	.	.	S	Bend	trans	-119.2	138.1	-173.9	-55.5	0	0	0	0	109.7	T621	T621-S623 PolarHBondContact O-N 3.2Å
624	S	67.1	Low	63.6	Low	73 Å²	73	83.2 Å²	83.2	51%	0.51	45%	0.453	S	S	.	.			trans	-59.7	139.6	171.5	168.6	0	0	0	0	110.6	F626 M627 L628	S624-F626 PolarHBondContact O-N 2.63Å; S624-F626 PolarHBondContact OG-N 3.45Å; S624-M627 WeakPolarHBondContact O-CA 3.46Å; S624-M627 WeakPolarHBondContact O-CB 2.94Å; S624-M627 PolarHBondContact O-N 3.44Å; S624-L628 PolarHBondContact O-N 3.24Å
625	T	71.1	Confident	64.1	Low	68 Å²	68	81.6 Å²	81.6	42%	0.417	43%	0.43	S	S	.	.	H	α-helix	trans	-50.9	-41.7	174.5	48.7	0	0	0	0	112.1	D617 M627 L628 E629	D617-T625 VanDerWaalsContact OD1-CG2 3.25Å; D617-T625 WeakPolarHBondContact OD1-CG2 3.44Å; T625-M627 PolarHBondContact O-N 3.22Å; T625-L628 PolarHBondContact O-N 2.81Å; T625-E629 WeakPolarHBondContact O-CG 3.37Å; T625-E629 PolarHBondContact O-N 2.82Å
626	F	79.3	Confident	65.5	Low	40 Å²	40	77.7 Å²	77.7	18%	0.175	41%	0.407	C	S	.	.	H	α-helix	trans	-64.6	-38.8	175.6	-175.9	-104.9	0	0	0	113	S624 L628 E629 M630 T655 I663	S624-F626 PolarHBondContact O-N 2.63Å; S624-F626 PolarHBondContact OG-N 3.45Å; F626-L628 VanDerWaalsContact C-N 3.33Å; F626-L628 PolarHBondContact O-N 3.46Å; F626-E629 WeakPolarHBondContact O-CB 3.35Å; F626-E629 PolarHBondContact O-N 3.38Å; F626-M630 HydrophobicContact CD1-CG 4.2Å; F626-M630 HydrophobicContact CD2-CE 4.34Å; F626-M630 HydrophobicContact CE1-CG 3.77Å; F626-M630 HydrophobicContact CE1-SD 4.37Å; F626-M630 HydrophobicContact CE2-CE 3.74Å; F626-M630 HydrophobicContact CE2-CG 4.33Å; F626-M630 HydrophobicContact CE2-SD 4.25Å; F626-M630 HydrophobicContact CZ-CE 3.99Å; F626-M630 HydrophobicContact CZ-CG 3.85Å; F626-M630 HydrophobicContact CZ-SD 3.87Å; F626-M630 WeakPolarHBondContact O-CG 3.41Å; F626-M630 PolarHBondContact O-N 2.85Å; F626-T655 HydrophobicContact CD2-CG2 4.14Å; F626-T655 HydrophobicContact CE2-CG2 3.5Å; F626-T655 HydrophobicContact CZ-CG2 3.85Å; F626-I663 HydrophobicContact CZ-CD1 3.82Å
627	M	74.4	Confident	67.1	Low	101 Å²	101	72.2 Å²	72.2	50%	0.498	38%	0.377	S	S	.	.	H	α-helix	trans	-67.3	-36.3	176.8	-178.2	61.6	64	0	0	111.6	S624 T625 M630 K631	S624-M627 WeakPolarHBondContact O-CA 3.46Å; S624-M627 WeakPolarHBondContact O-CB 2.94Å; S624-M627 PolarHBondContact O-N 3.44Å; T625-M627 PolarHBondContact O-N 3.22Å; M627-M630 PolarHBondContact O-N 3.09Å; M627-K631 WeakPolarHBondContact O-CG 3.44Å; M627-K631 PolarHBondContact O-N 3.22Å; M627-K631 VanDerWaalsContact O-N 3.09Å
628	L	70.8	Confident	68.6	Low	58 Å²	58	71.8 Å²	71.8	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-64.8	-46.4	173.2	-173.9	67.5	0	0	0	110.6	M154 S624 T625 F626 M630 K631 E632	M154-L628 HydrophobicContact CE-CD1 3.82Å; S624-L628 PolarHBondContact O-N 3.24Å; T625-L628 PolarHBondContact O-N 2.81Å; F626-L628 VanDerWaalsContact C-N 3.33Å; F626-L628 PolarHBondContact O-N 3.46Å; L628-M630 VanDerWaalsContact C-N 3.32Å; L628-M630 PolarHBondContact O-N 2.94Å; L628-K631 PolarHBondContact O-N 3.2Å; L628-K631 VanDerWaalsContact O-N 3.13Å; L628-E632 WeakPolarHBondContact O-CG 3.28Å; L628-E632 PolarHBondContact O-N 3.21Å
629	E	79.3	Confident	70.1	Confident	17 Å²	17	69.2 Å²	69.2	8%	0.079	36%	0.357	C	S	.	.	H	α-helix	trans	-52.6	-48.2	173.5	-77.6	174.4	-172.8	0	0	112.1	R612 T625 F626 K631 E632 I633	R612-E629 IonicContact NH2-OE1 2.74Å; R612-E629 PolarHBondContact NH2-OE1 3.28Å; T625-E629 WeakPolarHBondContact O-CG 3.37Å; T625-E629 PolarHBondContact O-N 2.82Å; F626-E629 WeakPolarHBondContact O-CB 3.35Å; F626-E629 PolarHBondContact O-N 3.38Å; E629-K631 VanDerWaalsContact C-N 3.34Å; E629-K631 PolarHBondContact O-N 3.49Å; E629-E632 PolarHBondContact O-N 3.22Å; E629-I633 WeakPolarHBondContact O-CG1 3.47Å; E629-I633 PolarHBondContact O-N 3.47Å
630	M	83.1	Confident	71.6	Confident	43 Å²	43	60.6 Å²	60.6	21%	0.212	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-34.7	-179.6	-67.6	-56.4	100	0	0	112.7	F626 M627 L628 S634 L651 I663	F626-M630 HydrophobicContact CD1-CG 4.2Å; F626-M630 HydrophobicContact CD2-CE 4.34Å; F626-M630 HydrophobicContact CE1-CG 3.77Å; F626-M630 HydrophobicContact CE1-SD 4.37Å; F626-M630 HydrophobicContact CE2-CE 3.74Å; F626-M630 HydrophobicContact CE2-CG 4.33Å; F626-M630 HydrophobicContact CE2-SD 4.25Å; F626-M630 HydrophobicContact CZ-CE 3.99Å; F626-M630 HydrophobicContact CZ-CG 3.85Å; F626-M630 HydrophobicContact CZ-SD 3.87Å; F626-M630 WeakPolarHBondContact O-CG 3.41Å; F626-M630 PolarHBondContact O-N 2.85Å; M627-M630 PolarHBondContact O-N 3.09Å; L628-M630 VanDerWaalsContact C-N 3.32Å; L628-M630 PolarHBondContact O-N 2.94Å; M630-S634 VanDerWaalsContact O-CB 3.23Å; M630-S634 WeakPolarHBondContact O-CB 3.41Å; M630-S634 PolarHBondContact O-N 3.45Å; M630-L651 HydrophobicContact CE-CD1 3.78Å; M630-I663 HydrophobicContact CE-CG2 4.33Å; M630-I663 HydrophobicContact SD-CG2 3.97Å
631	K	71.4	Confident	73.6	Confident	91 Å²	91	53.2 Å²	53.2	40%	0.396	29%	0.29	S	S	.	.	H	α-helix	trans	-68.7	-40	175.2	-72.8	175.6	179.4	175.6	0	112.1	M154 M627 L628 E629 S634 Y635	M154-K631 HydrophobicContact CE-CB 4.36Å; M154-K631 HydrophobicContact SD-CB 3.55Å; M154-K631 VanDerWaalsContact SD-CB 3.55Å; M154-K631 HydrophobicContact SD-CD 4.5Å; M627-K631 WeakPolarHBondContact O-CG 3.44Å; M627-K631 PolarHBondContact O-N 3.22Å; M627-K631 VanDerWaalsContact O-N 3.09Å; L628-K631 PolarHBondContact O-N 3.2Å; L628-K631 VanDerWaalsContact O-N 3.13Å; E629-K631 VanDerWaalsContact C-N 3.34Å; E629-K631 PolarHBondContact O-N 3.49Å; K631-S634 PolarHBondContact O-N 3.44Å; K631-Y635 WeakPolarHBondContact O-CB 3.34Å; K631-Y635 PolarHBondContact O-N 3.44Å
632	E	75.9	Confident	75.4	Confident	28 Å²	28	54.5 Å²	54.5	13%	0.131	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-45.9	176	-69.3	177.3	-172.1	0	0	111.1	M154 R612 L628 E629 S634 Y635 I636	M154-E632 HydrophobicContact CE-CG 3.63Å; R612-E632 WeakPolarHBondContact CD-OE2 3.42Å; R612-E632 IonicContact CZ-OE2 3.06Å; R612-E632 VanDerWaalsContact CZ-OE2 3.23Å; R612-E632 IonicContact NE-OE2 3.74Å; R612-E632 PolarHBondContact NE-OE2 3.36Å; R612-E632 IonicContact NH1-OE1 3.93Å; R612-E632 IonicContact NH1-OE2 3.12Å; R612-E632 PolarHBondContact NH1-OE2 3.37Å; L628-E632 WeakPolarHBondContact O-CG 3.28Å; L628-E632 PolarHBondContact O-N 3.21Å; E629-E632 PolarHBondContact O-N 3.22Å; E632-S634 PolarHBondContact O-N 3.15Å; E632-Y635 WeakPolarHBondContact O-CB 3.34Å; E632-Y635 PolarHBondContact O-N 3.42Å; E632-I636 WeakPolarHBondContact O-CG1 3.42Å; E632-I636 PolarHBondContact O-N 3.16Å
633	I	85	Confident	77.2	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-42.4	174.8	-67.2	-55.6	0	0	0	111.8	E629 Y635 I636 I637 I648 L651 V667	E629-I633 WeakPolarHBondContact O-CG1 3.47Å; E629-I633 PolarHBondContact O-N 3.47Å; I633-Y635 VanDerWaalsContact C-N 3.26Å; I633-Y635 PolarHBondContact O-N 3.41Å; I633-I636 HydrophobicContact CD1-CD1 4.28Å; I633-I636 PolarHBondContact O-N 2.9Å; I633-I636 VanDerWaalsContact O-N 3.16Å; I633-I637 HydrophobicContact CG2-CD1 3.65Å; I633-I637 HydrophobicContact CG2-CG1 4.21Å; I633-I637 WeakPolarHBondContact O-CB 3.29Å; I633-I637 WeakPolarHBondContact O-CG1 3.49Å; I633-I637 PolarHBondContact O-N 3.27Å; I633-I648 HydrophobicContact CD1-CD1 4.01Å; I633-I648 HydrophobicContact CD1-CG1 4.36Å; I633-I648 HydrophobicContact CD1-CG2 4.47Å; I633-L651 HydrophobicContact CD1-CD1 3.9Å; I633-L651 HydrophobicContact CD1-CD2 3.88Å; I633-L651 HydrophobicContact CD1-CG 4.46Å; I633-L651 HydrophobicContact CG1-CD1 3.43Å; I633-L651 VanDerWaalsContact CG1-CD1 3.43Å; I633-L651 HydrophobicContact CG1-CD2 3.84Å; I633-L651 HydrophobicContact CG1-CG 4.28Å; I633-V667 HydrophobicContact CG2-CG1 3.89Å; I633-V667 HydrophobicContact CG2-CG2 3.81Å
634	S	77.6	Confident	78.9	Confident	39 Å²	39	50.5 Å²	50.5	27%	0.273	26%	0.257	S	S	.	.	H	α-helix	trans	-58.6	-40.9	175	178.3	0	0	0	0	111.3	T151 M630 K631 E632 I637 H638	T151-S634 WeakPolarHBondContact CG2-OG 3.35Å; M630-S634 VanDerWaalsContact O-CB 3.23Å; M630-S634 WeakPolarHBondContact O-CB 3.41Å; M630-S634 PolarHBondContact O-N 3.45Å; K631-S634 PolarHBondContact O-N 3.44Å; E632-S634 PolarHBondContact O-N 3.15Å; S634-I637 PolarHBondContact O-N 2.86Å; S634-H638 WeakPolarHBondContact O-CB 3.31Å; S634-H638 PolarHBondContact O-CD2 3.34Å; S634-H638 PolarHBondContact O-N 3.04Å; S634-H638 PolarHBondContact OG-CD2 3.34Å
635	Y	72.6	Confident	80.2	Confident	19 Å²	19	47.1 Å²	47.1	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-44.2	174.5	178.1	-95.6	0	0	0	112.4	E155 D200 F610 K631 E632 I633 N639	E155-Y635 HydrophobicContact CB-CE2 4.35Å; E155-Y635 PolarHBondContact OE2-OH 3.24Å; D200-Y635 HydrophobicContact CB-CE1 3.87Å; F610-Y635 HydrophobicContact CD1-CD1 4.4Å; F610-Y635 HydrophobicContact CD1-CE1 4.08Å; F610-Y635 HydrophobicContact CE1-CD1 4.19Å; F610-Y635 AromaticContact CE1-CE1 3.67Å; F610-Y635 HydrophobicContact CE1-CE1 3.67Å; K631-Y635 WeakPolarHBondContact O-CB 3.34Å; K631-Y635 PolarHBondContact O-N 3.44Å; E632-Y635 WeakPolarHBondContact O-CB 3.34Å; E632-Y635 PolarHBondContact O-N 3.42Å; I633-Y635 VanDerWaalsContact C-N 3.26Å; I633-Y635 PolarHBondContact O-N 3.41Å; Y635-N639 VanDerWaalsContact CD2-ND2 3.31Å; Y635-N639 WeakPolarHBondContact CD2-ND2 3.43Å; Y635-N639 VanDerWaalsContact CE2-ND2 3.27Å; Y635-N639 WeakPolarHBondContact CE2-ND2 3.24Å; Y635-N639 PolarHBondContact O-N 2.93Å; Y635-N639 PolarHBondContact O-ND2 3.26Å
636	I	81.8	Confident	81.3	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-61.1	-49.7	176	-63.7	175.1	0	0	0	110.3	F610 R612 E632 I633 H638 N639 A640 T646 L671	F610-I636 HydrophobicContact CB-CD1 4.03Å; F610-I636 HydrophobicContact CB-CG1 3.87Å; F610-I636 HydrophobicContact CB-CG2 4.22Å; F610-I636 HydrophobicContact CD1-CG1 4.03Å; F610-I636 HydrophobicContact CD2-CG2 4.22Å; F610-I636 HydrophobicContact CG-CB 4.48Å; F610-I636 HydrophobicContact CG-CG1 4.02Å; F610-I636 HydrophobicContact CG-CG2 4.15Å; R612-I636 HydrophobicContact CB-CD1 4.36Å; E632-I636 WeakPolarHBondContact O-CG1 3.42Å; E632-I636 PolarHBondContact O-N 3.16Å; I633-I636 HydrophobicContact CD1-CD1 4.28Å; I633-I636 PolarHBondContact O-N 2.9Å; I633-I636 VanDerWaalsContact O-N 3.16Å; I636-H638 VanDerWaalsContact C-N 3.32Å; I636-H638 PolarHBondContact O-N 3.45Å; I636-N639 PolarHBondContact O-N 3.39Å; I636-A640 WeakPolarHBondContact O-CB 3.39Å; I636-A640 PolarHBondContact O-N 2.64Å; I636-T646 HydrophobicContact CG2-CG2 3.75Å; I636-L671 HydrophobicContact CG2-CD2 4.42Å
637	I	84.8	Confident	82	Confident	39 Å²	39	42 Å²	42	20%	0.2	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-41.1	-178.1	-76.5	176.1	0	0	0	112.2	I633 S634 V667 F670	I633-I637 HydrophobicContact CG2-CD1 3.65Å; I633-I637 HydrophobicContact CG2-CG1 4.21Å; I633-I637 WeakPolarHBondContact O-CB 3.29Å; I633-I637 WeakPolarHBondContact O-CG1 3.49Å; I633-I637 PolarHBondContact O-N 3.27Å; S634-I637 PolarHBondContact O-N 2.86Å; I637-V667 HydrophobicContact CD1-CG1 4.37Å; I637-V667 HydrophobicContact CD1-CG2 4.23Å; I637-F670 HydrophobicContact CB-CD1 4.36Å; I637-F670 HydrophobicContact CB-CE1 4.06Å; I637-F670 HydrophobicContact CD1-CD1 4.48Å; I637-F670 HydrophobicContact CG1-CD1 3.95Å; I637-F670 HydrophobicContact CG1-CE1 4.16Å; I637-F670 HydrophobicContact CG2-CD1 3.96Å; I637-F670 HydrophobicContact CG2-CE1 3.5Å; I637-F670 HydrophobicContact CG2-CE2 4.3Å; I637-F670 HydrophobicContact CG2-CZ 3.69Å
638	H	73.9	Confident	82.9	Confident	106 Å²	106	37.2 Å²	37.2	49%	0.491	18%	0.182	S	C	.	.	H	α-helix	trans	-77.7	-23.7	-177.6	-78.2	-60.1	0	0	0	114.3	S634 I636	S634-H638 WeakPolarHBondContact O-CB 3.31Å; S634-H638 PolarHBondContact O-CD2 3.34Å; S634-H638 PolarHBondContact O-N 3.04Å; S634-H638 PolarHBondContact OG-CD2 3.34Å; I636-H638 VanDerWaalsContact C-N 3.32Å; I636-H638 PolarHBondContact O-N 3.45Å
639	N	73.8	Confident	83.8	Confident	42 Å²	42	34.7 Å²	34.7	23%	0.225	17%	0.169	C	C	.	.	H	α-helix	trans	-109.6	-17.7	-175.1	-64.4	-67.8	0	0	0	113.8	Q608 F610 Y635 I636	Q608-N639 PolarHBondContact NE2-O 3.44Å; Q608-N639 PolarHBondContact OE1-O 3.47Å; F610-N639 HydrophobicContact CE1-CB 4.2Å; F610-N639 HydrophobicContact CZ-CB 3.75Å; Y635-N639 VanDerWaalsContact CD2-ND2 3.31Å; Y635-N639 WeakPolarHBondContact CD2-ND2 3.43Å; Y635-N639 VanDerWaalsContact CE2-ND2 3.27Å; Y635-N639 WeakPolarHBondContact CE2-ND2 3.24Å; Y635-N639 PolarHBondContact O-N 2.93Å; Y635-N639 PolarHBondContact O-ND2 3.26Å; I636-N639 PolarHBondContact O-N 3.39Å
640	A	81	Confident	84.1	Confident	14 Å²	14	35.7 Å²	35.7	12%	0.116	17%	0.174	C	C	.	.			trans	-63.2	137.9	-179.3	0	0	0	0	0	112.9	F610 I636 L674	F610-A640 HydrophobicContact CE2-CB 4Å; I636-A640 WeakPolarHBondContact O-CB 3.39Å; I636-A640 PolarHBondContact O-N 2.64Å; A640-L674 HydrophobicContact CB-CD1 3.79Å
641	S	85.1	Confident	84.2	Confident	24 Å²	24	33.7 Å²	33.7	17%	0.168	16%	0.163	C	C	.	.			trans	-114.7	176.9	175.3	75.4	0	0	0	0	110.9	D607 R643 S644 A676	D607-S641 PolarHBondContact OD1-OG 3.45Å; D607-S641 WeakPolarHBondContact OD2-CB 3.26Å; D607-S641 PolarHBondContact OD2-OG 3.15Å; S641-R643 PolarHBondContact O-N 3.09Å; S641-R643 PolarHBondContact OG-N 3.06Å; S641-S644 PolarHBondContact N-OG 3.45Å; S641-S644 WeakPolarHBondContact O-CB 3.32Å; S641-S644 PolarHBondContact O-N 2.67Å; S641-S644 PolarHBondContact O-OG 3.43Å; S641-S644 PolarHBondContact OG-N 3.32Å; S641-S644 PolarHBondContact OG-OG 3.32Å; S641-A676 WeakPolarHBondContact O-CB 3.19Å
642	D	88.9	Confident	84.6	Confident	91 Å²	91	29.4 Å²	29.4	49%	0.487	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.5	174.4	63.9	-24.7	0	0	0	114.2	R604 L674	R604-D642 PolarHBondContact NH1-O 3.48Å; R604-D642 PolarHBondContact NH2-O 2.96Å; D642-L674 WeakPolarHBondContact CA-O 3.44Å; D642-L674 VanDerWaalsContact CB-O 3.25Å; D642-L674 WeakPolarHBondContact CB-O 3.3Å
643	R	89.1	Confident	84.7	Confident	153 Å²	153	33.5 Å²	33.5	58%	0.577	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-0.8	177.7	-64.9	-176.5	-179.2	-160.1	-3.2	113.6	A606 D607 S641	A606-R643 WeakPolarHBondContact CA-O 3.5Å; D607-R643 HydrophobicContact CB-CB 4.47Å; S641-R643 PolarHBondContact O-N 3.09Å; S641-R643 PolarHBondContact OG-N 3.06Å
644	S	90.8	Very high	84.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.178	C	C	.	.			trans	-71.4	150.6	-180	-61.1	0	0	0	0	112.4	D607 Q608 S641 F677	D607-S644 WeakPolarHBondContact OD1-CA 3.47Å; D607-S644 PolarHBondContact OD1-N 3.25Å; D607-S644 VanDerWaalsContact OD1-N 3.14Å; D607-S644 PolarHBondContact OD1-OG 3.13Å; Q608-S644 WeakPolarHBondContact O-CA 3.25Å; S641-S644 PolarHBondContact N-OG 3.45Å; S641-S644 WeakPolarHBondContact O-CB 3.32Å; S641-S644 PolarHBondContact O-N 2.67Å; S641-S644 PolarHBondContact O-OG 3.43Å; S641-S644 PolarHBondContact OG-N 3.32Å; S641-S644 PolarHBondContact OG-OG 3.32Å; S644-F677 PolarHBondContact O-N 3.44Å
645	L	94.5	Very high	84.4	Confident	3 Å²	3	35.4 Å²	35.4	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.3	167.1	175.9	63.2	0	0	0	108.5	L534 Q587 A606 Q608 I609 F610 F677	L534-L645 HydrophobicContact CD1-CD1 4.38Å; Q587-L645 HydrophobicContact CB-CD2 3.98Å; Q587-L645 HydrophobicContact CG-CD2 3.87Å; A606-L645 HydrophobicContact CB-CB 4.14Å; Q608-L645 PolarHBondContact O-N 3.32Å; I609-L645 WeakPolarHBondContact CA-O 3.38Å; I609-L645 HydrophobicContact CG1-CB 4.37Å; I609-L645 HydrophobicContact CG2-CD2 4.48Å; F610-L645 PolarHBondContact N-O 3.37Å; L645-F677 CarbonylContact C-O 3.58Å; L645-F677 WeakPolarHBondContact CA-O 3.25Å; L645-F677 HydrophobicContact CD1-CB 4.02Å
646	T	93.9	Very high	84.9	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	127.4	-176.7	-58.9	0	0	0	0	110.1	I636 I648 L671 F677 T678 L679	I636-T646 HydrophobicContact CG2-CG2 3.75Å; T646-I648 HydrophobicContact CG2-CD1 3.95Å; T646-I648 HydrophobicContact CG2-CG1 3.97Å; T646-L671 HydrophobicContact CG2-CD1 4.24Å; T646-F677 PolarHBondContact N-O 3.47Å; T646-T678 HydrophobicContact CG2-CG2 4.23Å; T646-T678 CarbonylContact O-C 3.54Å; T646-T678 VanDerWaalsContact O-CA 3.27Å; T646-T678 WeakPolarHBondContact O-CA 3.33Å; T646-L679 PolarHBondContact O-N 3.2Å
647	I	94.4	Very high	84.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.3	179.3	-64.3	171.4	0	0	0	107.8	L580 A584 F610 T611 R612 I613 L679	L580-I647 HydrophobicContact CB-CG2 3.74Å; L580-I647 HydrophobicContact CD1-CG2 3.91Å; L580-I647 HydrophobicContact CD2-CG2 4.23Å; L580-I647 HydrophobicContact CG-CG2 4.18Å; A584-I647 HydrophobicContact CB-CD1 3.42Å; A584-I647 VanDerWaalsContact CB-CD1 3.42Å; F610-I647 PolarHBondContact O-N 3.28Å; T611-I647 CarbonylContact C-O 3.55Å; T611-I647 VanDerWaalsContact CA-O 3.32Å; T611-I647 WeakPolarHBondContact CA-O 3.42Å; T611-I647 HydrophobicContact CG2-CB 4.13Å; T611-I647 HydrophobicContact CG2-CD1 4.18Å; R612-I647 PolarHBondContact N-O 2.72Å; I613-I647 HydrophobicContact CD1-CG2 4.38Å; I613-I647 HydrophobicContact CG1-CG2 4.46Å; I647-L679 WeakPolarHBondContact CA-O 3.33Å; I647-L679 HydrophobicContact CG1-CB 4.38Å; I647-L679 HydrophobicContact CG1-CD1 4.31Å
648	I	92.5	Very high	84.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.5	180	-61.7	171.2	0	0	0	107.9	R612 I633 T646 L651 L671 L679 F680 A681	R612-I648 HydrophobicContact CB-CG1 4.5Å; I633-I648 HydrophobicContact CD1-CD1 4.01Å; I633-I648 HydrophobicContact CD1-CG1 4.36Å; I633-I648 HydrophobicContact CD1-CG2 4.47Å; T646-I648 HydrophobicContact CG2-CD1 3.95Å; T646-I648 HydrophobicContact CG2-CG1 3.97Å; I648-L651 HydrophobicContact CG2-CB 3.83Å; I648-L671 HydrophobicContact CD1-CD1 3.66Å; I648-L679 PolarHBondContact N-O 3.12Å; I648-F680 HydrophobicContact CB-CD2 3.77Å; I648-F680 HydrophobicContact CB-CE2 3.97Å; I648-F680 HydrophobicContact CB-CG 4.45Å; I648-F680 HydrophobicContact CD1-CD2 3.94Å; I648-F680 HydrophobicContact CD1-CE2 3.94Å; I648-F680 HydrophobicContact CG1-CD2 4.41Å; I648-F680 HydrophobicContact CG2-CD2 3.91Å; I648-F680 HydrophobicContact CG2-CE2 3.59Å; I648-F680 HydrophobicContact CG2-CZ 4.08Å; I648-F680 CarbonylContact O-C 3.6Å; I648-F680 WeakPolarHBondContact O-CA 3.48Å; I648-A681 PolarHBondContact O-N 2.92Å
649	D	90.6	Very high	84.8	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.027	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	115.7	175.6	-160.7	13.4	0	0	0	108.7	S577 L580 R612 I613 L651 A681	S577-D649 WeakPolarHBondContact CB-OD2 3.46Å; S577-D649 PolarHBondContact OG-OD2 3.08Å; L580-D649 HydrophobicContact CD1-CB 3.9Å; R612-D649 PolarHBondContact O-N 3.47Å; I613-D649 HydrophobicContact CB-CB 4.44Å; I613-D649 HydrophobicContact CG1-CB 4.26Å; I613-D649 HydrophobicContact CG2-CB 4.32Å; D649-L651 PolarHBondContact O-N 3.2Å; D649-A681 VanDerWaalsContact OD1-CB 3.31Å; D649-A681 WeakPolarHBondContact OD1-CB 3.38Å
650	E	85.5	Confident	85.4	Confident	39 Å²	39	44.7 Å²	44.7	18%	0.182	24%	0.236	C	C	.	.	S	Bend	trans	59.7	49.5	165.3	-61.4	172.5	165.7	0	0	115.5	K576 R653 A681 H683	K576-E650 IonicContact NZ-OE1 2.85Å; E650-R653 HydrophobicContact CB-CG 4.35Å; E650-R653 VanDerWaalsContact CB-NE 3.3Å; E650-R653 VanDerWaalsContact CD-CZ 3.46Å; E650-R653 IonicContact OE1-CZ 3.12Å; E650-R653 IonicContact OE1-NH2 3.82Å; E650-R653 PolarHBondContact OE1-NH2 3.39Å; E650-R653 IonicContact OE2-CZ 3.97Å; E650-R653 IonicContact OE2-NE 3.13Å; E650-R653 PolarHBondContact OE2-NE 3.26Å; E650-R653 IonicContact OE2-NH2 3.8Å; E650-R653 PolarHBondContact OE2-NH2 3.37Å; E650-A681 PolarHBondContact N-O 2.91Å; E650-H683 IonicContact OE1-CD2 3.7Å; E650-H683 PolarHBondContact OE1-CD2 2.89Å; E650-H683 IonicContact OE1-CE1 2.86Å; E650-H683 IonicContact OE1-NE2 3.44Å; E650-H683 PolarHBondContact OE1-NE2 3.04Å
651	L	85.9	Confident	85.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	143.4	174.6	-176.9	60.7	0	0	0	112.2	M630 I633 I648 D649 C664 V667 F680 F684	M630-L651 HydrophobicContact CE-CD1 3.78Å; I633-L651 HydrophobicContact CD1-CD1 3.9Å; I633-L651 HydrophobicContact CD1-CD2 3.88Å; I633-L651 HydrophobicContact CD1-CG 4.46Å; I633-L651 HydrophobicContact CG1-CD1 3.43Å; I633-L651 VanDerWaalsContact CG1-CD1 3.43Å; I633-L651 HydrophobicContact CG1-CD2 3.84Å; I633-L651 HydrophobicContact CG1-CG 4.28Å; I648-L651 HydrophobicContact CG2-CB 3.83Å; D649-L651 PolarHBondContact O-N 3.2Å; L651-C664 PolarHBondContact O-SG 3.5Å; L651-V667 HydrophobicContact CD2-CB 4.38Å; L651-V667 HydrophobicContact CD2-CG1 4.22Å; L651-V667 HydrophobicContact CD2-CG2 4.35Å; L651-F680 HydrophobicContact CB-CE2 4.49Å; L651-F680 HydrophobicContact CB-CZ 3.95Å; L651-F680 HydrophobicContact CD2-CE2 4.34Å; L651-F680 HydrophobicContact CD2-CZ 4.28Å; L651-F684 WeakPolarHBondContact O-CE2 3.28Å
652	G	78.9	Confident	85.5	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.01	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	15.9	167.5	0	0	0	0	0	115.1	G654	G652-G654 VanDerWaalsContact C-N 3.29Å; G652-G654 PolarHBondContact O-N 2.87Å
653	R	78.1	Confident	85.5	Confident	115 Å²	115	44.8 Å²	44.8	43%	0.434	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.6	174.6	-71.4	-176.1	175.6	-84.7	21.8	113.5	N572 E650 T655 H683	N572-R653 PolarHBondContact OD1-NH2 3.41Å; E650-R653 HydrophobicContact CB-CG 4.35Å; E650-R653 VanDerWaalsContact CB-NE 3.3Å; E650-R653 VanDerWaalsContact CD-CZ 3.46Å; E650-R653 IonicContact OE1-CZ 3.12Å; E650-R653 IonicContact OE1-NH2 3.82Å; E650-R653 PolarHBondContact OE1-NH2 3.39Å; E650-R653 IonicContact OE2-CZ 3.97Å; E650-R653 IonicContact OE2-NE 3.13Å; E650-R653 PolarHBondContact OE2-NE 3.26Å; E650-R653 IonicContact OE2-NH2 3.8Å; E650-R653 PolarHBondContact OE2-NH2 3.37Å; R653-T655 VanDerWaalsContact C-N 3.31Å; R653-T655 PolarHBondContact O-N 3.4Å; R653-H683 PolarHBondContact NH1-CD2 3.11Å; R653-H683 PolarHBondContact NH2-CD2 3.15Å; R653-H683 PolarHBondContact NH2-NE2 3.4Å
654	G	75.1	Confident	85.5	Confident	40 Å²	40	37.5 Å²	37.5	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	7.6	-171.3	0	0	0	0	0	116.3	G652	G652-G654 VanDerWaalsContact C-N 3.29Å; G652-G654 PolarHBondContact O-N 2.87Å
655	T	81.8	Confident	85.4	Confident	45 Å²	45	40.3 Å²	40.3	28%	0.276	23%	0.226	S	C	.	.	S	Bend	trans	-137.1	-177.4	-177.1	-165.1	0	0	0	0	112.4	F626 R653 E659	F626-T655 HydrophobicContact CD2-CG2 4.14Å; F626-T655 HydrophobicContact CE2-CG2 3.5Å; F626-T655 HydrophobicContact CZ-CG2 3.85Å; R653-T655 VanDerWaalsContact C-N 3.31Å; R653-T655 PolarHBondContact O-N 3.4Å; T655-E659 HydrophobicContact CG2-CB 4.27Å; T655-E659 PolarHBondContact OG1-OE2 3.05Å
656	S	82.3	Confident	85.2	Confident	57 Å²	57	43.6 Å²	43.6	40%	0.399	25%	0.25	S	C	.	.			trans	-56.4	139.3	173.3	73.5	0	0	0	0	110.9	E658 E659 G660	S656-E658 PolarHBondContact O-N 2.86Å; S656-E659 PolarHBondContact O-N 3.34Å; S656-E659 VanDerWaalsContact OG-CB 3.29Å; S656-E659 WeakPolarHBondContact OG-CB 3.36Å; S656-E659 WeakPolarHBondContact OG-CG 3.39Å; S656-E659 PolarHBondContact OG-N 3.36Å; S656-E659 PolarHBondContact OG-OE2 3.3Å; S656-G660 PolarHBondContact O-N 2.87Å
657	A	76.8	Confident	85.1	Confident	61 Å²	61	44.1 Å²	44.1	50%	0.504	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-36.4	-173.9	0	0	0	0	0	112.7	G660 I661	A657-G660 PolarHBondContact O-N 3.43Å; A657-I661 WeakPolarHBondContact O-CB 3.46Å; A657-I661 WeakPolarHBondContact O-CD1 3.49Å; A657-I661 WeakPolarHBondContact O-CG1 3.24Å; A657-I661 PolarHBondContact O-N 3.17Å
658	E	79.4	Confident	84.9	Confident	173 Å²	173	44.1 Å²	44.1	81%	0.808	25%	0.253	S	S	*	.	H	α-helix	trans	-65.9	-46.6	178.6	-62.4	-178.3	-178.2	0	0	112	S656 G662	S656-E658 PolarHBondContact O-N 2.86Å; E658-G662 PolarHBondContact O-N 2.94Å; E658-G662 VanDerWaalsContact O-N 3.1Å
659	E	82.9	Confident	84.8	Confident	117 Å²	117	48.3 Å²	48.3	55%	0.547	27%	0.272	S	S	.	.	H	α-helix	trans	-68.3	-39.5	176.2	-67.5	172.7	151.9	0	0	111.5	T655 S656 G662 I663	T655-E659 HydrophobicContact CG2-CB 4.27Å; T655-E659 PolarHBondContact OG1-OE2 3.05Å; S656-E659 PolarHBondContact O-N 3.34Å; S656-E659 VanDerWaalsContact OG-CB 3.29Å; S656-E659 WeakPolarHBondContact OG-CB 3.36Å; S656-E659 WeakPolarHBondContact OG-CG 3.39Å; S656-E659 PolarHBondContact OG-N 3.36Å; S656-E659 PolarHBondContact OG-OE2 3.3Å; E659-G662 PolarHBondContact O-N 3.44Å; E659-I663 WeakPolarHBondContact O-CG1 3.45Å; E659-I663 PolarHBondContact O-N 3.44Å
660	G	85.1	Confident	84.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-48.1	177.6	0	0	0	0	0	111.9	S656 A657 I663 C664	S656-G660 PolarHBondContact O-N 2.87Å; A657-G660 PolarHBondContact O-N 3.43Å; G660-I663 PolarHBondContact O-N 3.03Å; G660-C664 WeakPolarHBondContact O-CB 3.39Å; G660-C664 PolarHBondContact O-N 3.04Å; G660-C664 PolarHBondContact O-SG 3.46Å
661	I	85.9	Confident	85	Confident	39 Å²	39	50.7 Å²	50.7	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-61.2	-46	174.9	-68.7	164.6	0	0	0	110.6	A657 I663 C664 H665 F684 E686	A657-I661 WeakPolarHBondContact O-CB 3.46Å; A657-I661 WeakPolarHBondContact O-CD1 3.49Å; A657-I661 WeakPolarHBondContact O-CG1 3.24Å; A657-I661 PolarHBondContact O-N 3.17Å; I661-I663 PolarHBondContact O-N 3.01Å; I661-C664 PolarHBondContact O-N 3.38Å; I661-H665 WeakPolarHBondContact O-CB 3.46Å; I661-H665 PolarHBondContact O-N 3Å; I661-F684 HydrophobicContact CD1-CD1 3.96Å; I661-F684 HydrophobicContact CD1-CE1 4.41Å; I661-F684 HydrophobicContact CD1-CG 4.45Å; I661-F684 HydrophobicContact CG1-CB 4.08Å; I661-F684 HydrophobicContact CG1-CD1 3.52Å; I661-F684 HydrophobicContact CG1-CD2 4.12Å; I661-F684 HydrophobicContact CG1-CE1 3.91Å; I661-F684 HydrophobicContact CG1-CE2 4.45Å; I661-F684 HydrophobicContact CG1-CG 3.65Å; I661-F684 HydrophobicContact CG1-CZ 4.36Å; I661-E686 HydrophobicContact CD1-CB 4.45Å; I661-E686 HydrophobicContact CD1-CG 4.09Å; I661-E686 HydrophobicContact CG2-CB 4.29Å
662	G	83.5	Confident	85.1	Confident	37 Å²	37	51.3 Å²	51.3	38%	0.381	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-43.9	-179.6	0	0	0	0	0	113.4	E658 E659 S666	E658-G662 PolarHBondContact O-N 2.94Å; E658-G662 VanDerWaalsContact O-N 3.1Å; E659-G662 PolarHBondContact O-N 3.44Å; G662-S666 PolarHBondContact O-N 2.88Å; G662-S666 VanDerWaalsContact O-N 3.15Å; G662-S666 PolarHBondContact O-OG 3.25Å
663	I	87.8	Confident	85.4	Confident	56 Å²	56	54.3 Å²	54.3	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-66.5	-48.2	175.8	-67.1	168.5	0	0	0	110.2	F626 M630 E659 G660 I661 H665 S666 V667	F626-I663 HydrophobicContact CZ-CD1 3.82Å; M630-I663 HydrophobicContact CE-CG2 4.33Å; M630-I663 HydrophobicContact SD-CG2 3.97Å; E659-I663 WeakPolarHBondContact O-CG1 3.45Å; E659-I663 PolarHBondContact O-N 3.44Å; G660-I663 PolarHBondContact O-N 3.03Å; I661-I663 PolarHBondContact O-N 3.01Å; I663-H665 VanDerWaalsContact C-N 3.33Å; I663-H665 PolarHBondContact O-N 3.34Å; I663-S666 PolarHBondContact O-N 3.28Å; I663-V667 HydrophobicContact CG2-CG2 4.24Å; I663-V667 VanDerWaalsContact O-CG2 3.29Å; I663-V667 WeakPolarHBondContact O-CG2 3.33Å; I663-V667 PolarHBondContact O-N 2.84Å
664	C	89.6	Confident	85.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-43.8	179.9	-69.7	0	0	0	0	112.1	L651 G660 I661 S666 V667 C668 F680 L687	L651-C664 PolarHBondContact O-SG 3.5Å; G660-C664 WeakPolarHBondContact O-CB 3.39Å; G660-C664 PolarHBondContact O-N 3.04Å; G660-C664 PolarHBondContact O-SG 3.46Å; I661-C664 PolarHBondContact O-N 3.38Å; C664-S666 PolarHBondContact O-N 2.7Å; C664-V667 PolarHBondContact O-N 3.46Å; C664-C668 WeakPolarHBondContact O-CB 3.48Å; C664-C668 PolarHBondContact O-N 2.92Å; C664-C668 PolarHBondContact O-SG 2.96Å; C664-F680 HydrophobicContact CB-CZ 4.27Å; C664-L687 HydrophobicContact CB-CD1 3.77Å; C664-L687 HydrophobicContact CB-CD2 4.27Å
665	H	89.5	Confident	86.1	Confident	58 Å²	58	56.1 Å²	56.1	27%	0.269	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-48.1	176.3	-176.3	-72	0	0	0	111.2	I661 I663 V667 C668 E669 L687 L690	I661-H665 WeakPolarHBondContact O-CB 3.46Å; I661-H665 PolarHBondContact O-N 3Å; I663-H665 VanDerWaalsContact C-N 3.33Å; I663-H665 PolarHBondContact O-N 3.34Å; H665-V667 VanDerWaalsContact C-N 3.33Å; H665-V667 PolarHBondContact O-N 3.4Å; H665-C668 PolarHBondContact O-N 2.92Å; H665-E669 IonicContact CE1-OE2 3.97Å; H665-E669 IonicContact ND1-OE2 2.93Å; H665-E669 WeakPolarHBondContact O-CB 3.48Å; H665-E669 PolarHBondContact O-N 3.07Å; H665-L687 HydrophobicContact CB-CD2 3.91Å; H665-L690 WeakPolarHBondContact NE2-CD2 3.31Å
666	S	89.6	Confident	86.4	Confident	72 Å²	72	54 Å²	54	50%	0.503	31%	0.305	S	S	.	.	H	α-helix	trans	-62.8	-38.9	179.6	-54.8	0	0	0	0	112.3	G662 I663 C664 F670	G662-S666 PolarHBondContact O-N 2.88Å; G662-S666 VanDerWaalsContact O-N 3.15Å; G662-S666 PolarHBondContact O-OG 3.25Å; I663-S666 PolarHBondContact O-N 3.28Å; C664-S666 PolarHBondContact O-N 2.7Å; S666-F670 PolarHBondContact O-N 2.88Å
667	V	91.1	Very high	87	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-43.9	175.5	172.3	0	0	0	0	111.1	I633 I637 L651 I663 C664 H665 E669 F670 L671	I633-V667 HydrophobicContact CG2-CG1 3.89Å; I633-V667 HydrophobicContact CG2-CG2 3.81Å; I637-V667 HydrophobicContact CD1-CG1 4.37Å; I637-V667 HydrophobicContact CD1-CG2 4.23Å; L651-V667 HydrophobicContact CD2-CB 4.38Å; L651-V667 HydrophobicContact CD2-CG1 4.22Å; L651-V667 HydrophobicContact CD2-CG2 4.35Å; I663-V667 HydrophobicContact CG2-CG2 4.24Å; I663-V667 VanDerWaalsContact O-CG2 3.29Å; I663-V667 WeakPolarHBondContact O-CG2 3.33Å; I663-V667 PolarHBondContact O-N 2.84Å; C664-V667 PolarHBondContact O-N 3.46Å; H665-V667 VanDerWaalsContact C-N 3.33Å; H665-V667 PolarHBondContact O-N 3.4Å; V667-E669 VanDerWaalsContact C-N 3.33Å; V667-E669 PolarHBondContact O-N 3.14Å; V667-F670 PolarHBondContact O-N 3.39Å; V667-L671 HydrophobicContact CG1-CD1 4.04Å; V667-L671 HydrophobicContact CG1-CG 4.49Å; V667-L671 WeakPolarHBondContact O-CG 3.31Å; V667-L671 PolarHBondContact O-N 3.4Å
668	C	91.4	Very high	87.9	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-45.3	176.4	-66.8	0	0	0	0	111.1	F565 C664 H665 F670 L671 L672 L690	F565-C668 HydrophobicContact CE1-CB 4.34Å; F565-C668 HydrophobicContact CE2-CB 4.32Å; F565-C668 HydrophobicContact CZ-CB 3.73Å; C664-C668 WeakPolarHBondContact O-CB 3.48Å; C664-C668 PolarHBondContact O-N 2.92Å; C664-C668 PolarHBondContact O-SG 2.96Å; H665-C668 PolarHBondContact O-N 2.92Å; C668-F670 PolarHBondContact O-N 3.01Å; C668-L671 PolarHBondContact O-N 3Å; C668-L672 WeakPolarHBondContact O-CB 3.46Å; C668-L672 VanDerWaalsContact O-CG 3.26Å; C668-L672 WeakPolarHBondContact O-CG 3.27Å; C668-L672 PolarHBondContact O-N 3.11Å; C668-L690 HydrophobicContact CB-CD1 3.68Å
669	E	89.7	Confident	88.7	Confident	88 Å²	88	40.3 Å²	40.3	41%	0.411	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-41.4	178.4	-172.3	170.6	-157.7	0	0	112.4	H665 V667 L672 G673 Y694	H665-E669 IonicContact CE1-OE2 3.97Å; H665-E669 IonicContact ND1-OE2 2.93Å; H665-E669 WeakPolarHBondContact O-CB 3.48Å; H665-E669 PolarHBondContact O-N 3.07Å; V667-E669 VanDerWaalsContact C-N 3.33Å; V667-E669 PolarHBondContact O-N 3.14Å; E669-L672 PolarHBondContact O-N 3.29Å; E669-G673 PolarHBondContact O-N 2.97Å; E669-Y694 PolarHBondContact OE1-OH 3Å
670	F	90.3	Very high	89.2	Confident	95 Å²	95	34.8 Å²	34.8	42%	0.417	20%	0.198	S	C	.	.	H	α-helix	trans	-61.8	-48.9	174	-178.6	-87.9	0	0	0	112.1	I637 S666 V667 C668 L672 G673 L674	I637-F670 HydrophobicContact CB-CD1 4.36Å; I637-F670 HydrophobicContact CB-CE1 4.06Å; I637-F670 HydrophobicContact CD1-CD1 4.48Å; I637-F670 HydrophobicContact CG1-CD1 3.95Å; I637-F670 HydrophobicContact CG1-CE1 4.16Å; I637-F670 HydrophobicContact CG2-CD1 3.96Å; I637-F670 HydrophobicContact CG2-CE1 3.5Å; I637-F670 HydrophobicContact CG2-CE2 4.3Å; I637-F670 HydrophobicContact CG2-CZ 3.69Å; S666-F670 PolarHBondContact O-N 2.88Å; V667-F670 PolarHBondContact O-N 3.39Å; C668-F670 PolarHBondContact O-N 3.01Å; F670-L672 VanDerWaalsContact C-N 3.32Å; F670-L672 PolarHBondContact O-N 2.97Å; F670-G673 PolarHBondContact O-N 3.44Å; F670-G673 VanDerWaalsContact O-N 3.13Å; F670-L674 HydrophobicContact CD1-CD1 4.31Å; F670-L674 HydrophobicContact CE1-CD1 3.75Å; F670-L674 HydrophobicContact CE1-CG 4.23Å
671	L	89.6	Confident	89.6	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.7	-34.6	-179.3	-69.4	175.2	0	0	0	112.3	F565 I636 T646 I648 V667 C668 G673 L674 T678	F565-L671 HydrophobicContact CE2-CB 4.03Å; I636-L671 HydrophobicContact CG2-CD2 4.42Å; T646-L671 HydrophobicContact CG2-CD1 4.24Å; I648-L671 HydrophobicContact CD1-CD1 3.66Å; V667-L671 HydrophobicContact CG1-CD1 4.04Å; V667-L671 HydrophobicContact CG1-CG 4.49Å; V667-L671 WeakPolarHBondContact O-CG 3.31Å; V667-L671 PolarHBondContact O-N 3.4Å; C668-L671 PolarHBondContact O-N 3Å; L671-G673 VanDerWaalsContact C-N 3.26Å; L671-G673 PolarHBondContact O-N 3.47Å; L671-L674 HydrophobicContact CD2-CD1 4.3Å; L671-L674 PolarHBondContact O-N 2.82Å; L671-T678 HydrophobicContact CD1-CG2 4.14Å
672	L	88.4	Confident	89.7	Confident	12 Å²	12	33 Å²	33	6%	0.063	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-39.9	172.3	-82.3	165.3	0	0	0	111.8	F565 C668 E669 F670 L674 K675 Y694 V697	F565-L672 HydrophobicContact CB-CD2 3.39Å; F565-L672 HydrophobicContact CB-CG 4.27Å; F565-L672 HydrophobicContact CD2-CD2 3.78Å; F565-L672 HydrophobicContact CD2-CG 3.72Å; F565-L672 HydrophobicContact CE2-CG 4.26Å; F565-L672 HydrophobicContact CG-CD2 3.68Å; F565-L672 HydrophobicContact CG-CG 4.01Å; C668-L672 WeakPolarHBondContact O-CB 3.46Å; C668-L672 VanDerWaalsContact O-CG 3.26Å; C668-L672 WeakPolarHBondContact O-CG 3.27Å; C668-L672 PolarHBondContact O-N 3.11Å; E669-L672 PolarHBondContact O-N 3.29Å; F670-L672 VanDerWaalsContact C-N 3.32Å; F670-L672 PolarHBondContact O-N 2.97Å; L672-L674 VanDerWaalsContact C-N 3.26Å; L672-L674 PolarHBondContact O-N 2.92Å; L672-K675 PolarHBondContact O-N 3.07Å; L672-Y694 HydrophobicContact CD1-CD2 3.85Å; L672-Y694 HydrophobicContact CD1-CE2 4.29Å; L672-Y694 HydrophobicContact CD1-CG 4.1Å; L672-V697 HydrophobicContact CD1-CG2 3.81Å; L672-V697 HydrophobicContact CD2-CG2 3.59Å; L672-V697 HydrophobicContact CG-CG2 4.32Å
673	G	85.2	Confident	89.7	Confident	64 Å²	64	34.3 Å²	34.3	66%	0.66	19%	0.185	S	C	*	.	H	α-helix	trans	-63.1	-27.1	177.8	0	0	0	0	0	114.4	E669 F670 L671	E669-G673 PolarHBondContact O-N 2.97Å; F670-G673 PolarHBondContact O-N 3.44Å; F670-G673 VanDerWaalsContact O-N 3.13Å; L671-G673 VanDerWaalsContact C-N 3.26Å; L671-G673 PolarHBondContact O-N 3.47Å
674	L	83.8	Confident	89.5	Confident	48 Å²	48	33.1 Å²	33.1	25%	0.251	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-14.6	-178.3	-65.8	178	0	0	0	114	A640 D642 F670 L671 L672 A676	A640-L674 HydrophobicContact CB-CD1 3.79Å; D642-L674 WeakPolarHBondContact CA-O 3.44Å; D642-L674 VanDerWaalsContact CB-O 3.25Å; D642-L674 WeakPolarHBondContact CB-O 3.3Å; F670-L674 HydrophobicContact CD1-CD1 4.31Å; F670-L674 HydrophobicContact CE1-CD1 3.75Å; F670-L674 HydrophobicContact CE1-CG 4.23Å; L671-L674 HydrophobicContact CD2-CD1 4.3Å; L671-L674 PolarHBondContact O-N 2.82Å; L672-L674 VanDerWaalsContact C-N 3.26Å; L672-L674 PolarHBondContact O-N 2.92Å; L674-A676 HydrophobicContact CB-CB 4.4Å; L674-A676 PolarHBondContact O-N 3.3Å; L674-A676 VanDerWaalsContact O-N 3.17Å
675	K	83.9	Confident	89.1	Confident	145 Å²	145	35.9 Å²	35.9	63%	0.63	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	13.6	-171	-54.5	-178.3	179.7	-179.3	0	115.1	N564 L672	N564-K675 WeakPolarHBondContact ND2-CA 3.38Å; L672-K675 PolarHBondContact O-N 3.07Å
676	A	89.3	Confident	88.7	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.195	C	C	.	.			trans	-61.1	154.8	171	0	0	0	0	0	110.9	N564 S641 L674 T678	N564-A676 PolarHBondContact ND2-O 3.41Å; S641-A676 WeakPolarHBondContact O-CB 3.19Å; L674-A676 HydrophobicContact CB-CB 4.4Å; L674-A676 PolarHBondContact O-N 3.3Å; L674-A676 VanDerWaalsContact O-N 3.17Å; A676-T678 PolarHBondContact O-N 3.28Å
677	F	94.9	Very high	88.5	Confident	5 Å²	5	33 Å²	33	2%	0.022	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.5	171.1	-75.9	0.1	0	0	0	108.2	L534 I559 N564 R604 S644 L645 T646	L534-F677 HydrophobicContact CB-CD2 3.97Å; L534-F677 HydrophobicContact CB-CE2 3.84Å; I559-F677 HydrophobicContact CB-CD2 4.32Å; I559-F677 HydrophobicContact CB-CG 4.47Å; I559-F677 HydrophobicContact CG2-CB 4Å; I559-F677 HydrophobicContact CG2-CD1 3.66Å; I559-F677 HydrophobicContact CG2-CD2 3.91Å; I559-F677 HydrophobicContact CG2-CE1 4.04Å; I559-F677 HydrophobicContact CG2-CE2 4.28Å; I559-F677 HydrophobicContact CG2-CG 3.58Å; I559-F677 HydrophobicContact CG2-CZ 4.34Å; N564-F677 HydrophobicContact CB-CD1 3.98Å; N564-F677 HydrophobicContact CB-CE1 4.27Å; N564-F677 WeakPolarHBondContact O-CA 3.4Å; R604-F677 HydrophobicContact CB-CD2 4.49Å; R604-F677 HydrophobicContact CB-CE2 3.75Å; R604-F677 HydrophobicContact CB-CZ 4.36Å; R604-F677 HydrophobicContact CG-CE2 4.44Å; R604-F677 VanDerWaalsContact CZ-CE1 3.49Å; R604-F677 VanDerWaalsContact NE-CE2 3.33Å; R604-F677 VanDerWaalsContact NE-CZ 3.34Å; R604-F677 VanDerWaalsContact NH2-CD1 3.33Å; S644-F677 PolarHBondContact O-N 3.44Å; L645-F677 CarbonylContact C-O 3.58Å; L645-F677 WeakPolarHBondContact CA-O 3.25Å; L645-F677 HydrophobicContact CD1-CB 4.02Å; T646-F677 PolarHBondContact N-O 3.47Å
678	T	94.9	Very high	88.2	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.3	-174.1	-53.6	0	0	0	0	111.1	N564 F565 V566 T646 L671 A676	N564-T678 PolarHBondContact O-N 2.84Å; F565-T678 WeakPolarHBondContact CA-O 3.36Å; F565-T678 HydrophobicContact CD2-CG2 3.86Å; F565-T678 HydrophobicContact CE2-CG2 3.45Å; F565-T678 VanDerWaalsContact CE2-CG2 3.45Å; F565-T678 HydrophobicContact CZ-CG2 3.93Å; V566-T678 PolarHBondContact N-O 2.84Å; T646-T678 HydrophobicContact CG2-CG2 4.23Å; T646-T678 CarbonylContact O-C 3.54Å; T646-T678 VanDerWaalsContact O-CA 3.27Å; T646-T678 WeakPolarHBondContact O-CA 3.33Å; L671-T678 HydrophobicContact CD1-CG2 4.14Å; A676-T678 PolarHBondContact O-N 3.28Å
679	L	95.2	Very high	87.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.3	169.4	-72.9	158.1	0	0	0	108.5	I559 V566 Y579 L580 V583 T646 I647 I648	I559-L679 HydrophobicContact CD1-CD1 4.11Å; I559-L679 HydrophobicContact CD1-CD2 3.96Å; I559-L679 HydrophobicContact CD1-CG 3.85Å; V566-L679 HydrophobicContact CB-CD2 3.87Å; V566-L679 HydrophobicContact CG1-CD2 4.08Å; Y579-L679 HydrophobicContact CE1-CD2 4.21Å; L580-L679 HydrophobicContact CD2-CB 3.57Å; L580-L679 HydrophobicContact CD2-CD1 4.28Å; L580-L679 HydrophobicContact CD2-CD2 4.39Å; L580-L679 HydrophobicContact CD2-CG 4.31Å; V583-L679 HydrophobicContact CB-CD1 3.99Å; V583-L679 HydrophobicContact CG1-CD1 3.81Å; V583-L679 HydrophobicContact CG2-CD1 4.2Å; T646-L679 PolarHBondContact O-N 3.2Å; I647-L679 WeakPolarHBondContact CA-O 3.33Å; I647-L679 HydrophobicContact CG1-CB 4.38Å; I647-L679 HydrophobicContact CG1-CD1 4.31Å; I648-L679 PolarHBondContact N-O 3.12Å
680	F	94.6	Very high	87.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	103.4	-174.9	-162.5	-76.9	0	0	0	110.2	F565 V566 I567 V568 I648 L651 C664 T682 L687	F565-F680 HydrophobicContact CE1-CB 3.82Å; F565-F680 HydrophobicContact CE1-CG 4.42Å; F565-F680 HydrophobicContact CZ-CB 3.9Å; F565-F680 HydrophobicContact CZ-CD2 4.11Å; F565-F680 HydrophobicContact CZ-CG 4.23Å; V566-F680 PolarHBondContact O-N 3.16Å; I567-F680 CarbonylContact C-O 3.56Å; I567-F680 WeakPolarHBondContact CA-O 3.5Å; V568-F680 PolarHBondContact N-O 2.78Å; I648-F680 HydrophobicContact CB-CD2 3.77Å; I648-F680 HydrophobicContact CB-CE2 3.97Å; I648-F680 HydrophobicContact CB-CG 4.45Å; I648-F680 HydrophobicContact CD1-CD2 3.94Å; I648-F680 HydrophobicContact CD1-CE2 3.94Å; I648-F680 HydrophobicContact CG1-CD2 4.41Å; I648-F680 HydrophobicContact CG2-CD2 3.91Å; I648-F680 HydrophobicContact CG2-CE2 3.59Å; I648-F680 HydrophobicContact CG2-CZ 4.08Å; I648-F680 CarbonylContact O-C 3.6Å; I648-F680 WeakPolarHBondContact O-CA 3.48Å; L651-F680 HydrophobicContact CB-CE2 4.49Å; L651-F680 HydrophobicContact CB-CZ 3.95Å; L651-F680 HydrophobicContact CD2-CE2 4.34Å; L651-F680 HydrophobicContact CD2-CZ 4.28Å; C664-F680 HydrophobicContact CB-CZ 4.27Å; F680-T682 HydrophobicContact CD1-CG2 4.37Å; F680-L687 HydrophobicContact CE1-CD1 3.85Å; F680-L687 HydrophobicContact CZ-CD1 4.46Å
681	A	92.4	Very high	87.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	133.1	173.3	0	0	0	0	0	111.3	V568 K576 L580 I648 D649 E650	V568-A681 HydrophobicContact CB-CB 4.26Å; V568-A681 WeakPolarHBondContact O-CA 3.43Å; K576-A681 HydrophobicContact CB-CB 4.38Å; K576-A681 HydrophobicContact CD-CB 4.41Å; L580-A681 HydrophobicContact CD1-CB 3.57Å; L580-A681 HydrophobicContact CG-CB 4.41Å; I648-A681 PolarHBondContact O-N 2.92Å; D649-A681 VanDerWaalsContact OD1-CB 3.31Å; D649-A681 WeakPolarHBondContact OD1-CB 3.38Å; E650-A681 PolarHBondContact N-O 2.91Å
682	T	88.9	Confident	86.8	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.188	C	C	.	.			trans	-149	157.8	-175.3	-170.4	0	0	0	0	113.3	I567 V568 T569 F680 F684 L687	I567-T682 HydrophobicContact CG2-CG2 3.94Å; V568-T682 PolarHBondContact O-N 3.3Å; T569-T682 HydrophobicContact CG2-CG2 4.13Å; F680-T682 HydrophobicContact CD1-CG2 4.37Å; T682-F684 PolarHBondContact OG1-N 3.28Å; T682-L687 HydrophobicContact CG2-CB 4.4Å; T682-L687 HydrophobicContact CG2-CD1 4.14Å
683	H	83.6	Confident	86.5	Confident	64 Å²	64	39.2 Å²	39.2	30%	0.296	21%	0.211	S	C	.	.	S	Bend	trans	-97.6	-12.3	166.6	-68	-80.8	0	0	0	112.8	N572 K576 E650 R653 L685	N572-H683 PolarHBondContact OD1-CE1 2.98Å; N572-H683 PolarHBondContact OD1-NE2 3.31Å; N572-H683 VanDerWaalsContact OD1-NE2 3.09Å; K576-H683 PolarHBondContact NZ-CE1 3.36Å; E650-H683 IonicContact OE1-CD2 3.7Å; E650-H683 PolarHBondContact OE1-CD2 2.89Å; E650-H683 IonicContact OE1-CE1 2.86Å; E650-H683 IonicContact OE1-NE2 3.44Å; E650-H683 PolarHBondContact OE1-NE2 3.04Å; R653-H683 PolarHBondContact NH1-CD2 3.11Å; R653-H683 PolarHBondContact NH2-CD2 3.15Å; R653-H683 PolarHBondContact NH2-NE2 3.4Å; H683-L685 PolarHBondContact O-N 3.36Å; H683-L685 VanDerWaalsContact O-N 3.15Å
684	F	83.8	Confident	86.5	Confident	32 Å²	32	39.4 Å²	39.4	14%	0.14	19%	0.192	C	C	.	.			trans	-78.6	97.1	177.7	-58.9	-51.2	0	0	0	109.5	L651 I661 T682 E686 L687	L651-F684 WeakPolarHBondContact O-CE2 3.28Å; I661-F684 HydrophobicContact CD1-CD1 3.96Å; I661-F684 HydrophobicContact CD1-CE1 4.41Å; I661-F684 HydrophobicContact CD1-CG 4.45Å; I661-F684 HydrophobicContact CG1-CB 4.08Å; I661-F684 HydrophobicContact CG1-CD1 3.52Å; I661-F684 HydrophobicContact CG1-CD2 4.12Å; I661-F684 HydrophobicContact CG1-CE1 3.91Å; I661-F684 HydrophobicContact CG1-CE2 4.45Å; I661-F684 HydrophobicContact CG1-CG 3.65Å; I661-F684 HydrophobicContact CG1-CZ 4.36Å; T682-F684 PolarHBondContact OG1-N 3.28Å; F684-E686 WeakPolarHBondContact CA-OE2 3.24Å; F684-E686 PolarHBondContact O-N 2.92Å; F684-L687 HydrophobicContact CB-CD1 4.04Å; F684-L687 HydrophobicContact CB-CG 4.01Å; F684-L687 HydrophobicContact CD2-CD1 4.3Å; F684-L687 WeakPolarHBondContact O-CB 3.3Å; F684-L687 PolarHBondContact O-N 2.68Å; F684-L687 VanDerWaalsContact O-N 3.12Å
685	L	81.1	Confident	86.5	Confident	58 Å²	58	39.1 Å²	39.1	30%	0.304	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-64.2	-19.6	176.3	-63.3	179.4	0	0	0	111.9	T569 H683 L687 C688 R731	T569-L685 HydrophobicContact CG2-CD2 4.15Å; H683-L685 PolarHBondContact O-N 3.36Å; H683-L685 VanDerWaalsContact O-N 3.15Å; L685-L687 PolarHBondContact O-N 2.87Å; L685-C688 VanDerWaalsContact O-CB 3.3Å; L685-C688 WeakPolarHBondContact O-CB 3.19Å; L685-C688 PolarHBondContact O-N 2.87Å; L685-R731 HydrophobicContact CD1-CG 4.11Å
686	E	80.5	Confident	86.6	Confident	68 Å²	68	33.3 Å²	33.3	32%	0.318	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-60.9	-32.6	173.6	-60.3	79.1	-173	0	0	111.6	I661 F684 C688 Q689	I661-E686 HydrophobicContact CD1-CB 4.45Å; I661-E686 HydrophobicContact CD1-CG 4.09Å; I661-E686 HydrophobicContact CG2-CB 4.29Å; F684-E686 WeakPolarHBondContact CA-OE2 3.24Å; F684-E686 PolarHBondContact O-N 2.92Å; E686-C688 VanDerWaalsContact C-N 3.26Å; E686-C688 PolarHBondContact O-N 3.43Å; E686-Q689 VanDerWaalsContact O-CB 3.31Å; E686-Q689 WeakPolarHBondContact O-CB 3.36Å; E686-Q689 VanDerWaalsContact O-CG 3.28Å; E686-Q689 WeakPolarHBondContact O-CG 3.27Å; E686-Q689 PolarHBondContact O-N 2.77Å
687	L	85.1	Confident	86.7	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.005	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-69.7	-23.1	178.5	-66.3	177.4	0	0	0	112.7	I567 C664 H665 F680 T682 F684 L685 Q689 L690	I567-L687 WeakPolarHBondContact CD1-O 3.38Å; C664-L687 HydrophobicContact CB-CD1 3.77Å; C664-L687 HydrophobicContact CB-CD2 4.27Å; H665-L687 HydrophobicContact CB-CD2 3.91Å; F680-L687 HydrophobicContact CE1-CD1 3.85Å; F680-L687 HydrophobicContact CZ-CD1 4.46Å; T682-L687 HydrophobicContact CG2-CB 4.4Å; T682-L687 HydrophobicContact CG2-CD1 4.14Å; F684-L687 HydrophobicContact CB-CD1 4.04Å; F684-L687 HydrophobicContact CB-CG 4.01Å; F684-L687 HydrophobicContact CD2-CD1 4.3Å; F684-L687 WeakPolarHBondContact O-CB 3.3Å; F684-L687 PolarHBondContact O-N 2.68Å; F684-L687 VanDerWaalsContact O-N 3.12Å; L685-L687 PolarHBondContact O-N 2.87Å; L687-Q689 PolarHBondContact O-N 2.99Å; L687-L690 HydrophobicContact CD2-CD1 4.39Å; L687-L690 VanDerWaalsContact O-CB 3.27Å; L687-L690 WeakPolarHBondContact O-CB 3.41Å; L687-L690 WeakPolarHBondContact O-CG 3.42Å; L687-L690 PolarHBondContact O-N 2.85Å
688	C	84.7	Confident	86.5	Confident	9 Å²	9	33.8 Å²	33.8	6%	0.061	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-60	-20.6	174.6	-62.5	0	0	0	0	112.4	T569 L685 E686 L690 E691 N699 C727	T569-C688 WeakPolarHBondContact CG2-SG 3.3Å; L685-C688 VanDerWaalsContact O-CB 3.3Å; L685-C688 WeakPolarHBondContact O-CB 3.19Å; L685-C688 PolarHBondContact O-N 2.87Å; E686-C688 VanDerWaalsContact C-N 3.26Å; E686-C688 PolarHBondContact O-N 3.43Å; C688-L690 PolarHBondContact O-N 3.15Å; C688-E691 WeakPolarHBondContact O-CB 3.48Å; C688-E691 PolarHBondContact O-N 3.49Å; C688-N699 PolarHBondContact O-ND2 3.45Å; C688-C727 VanDerWaalsContact CB-SG 3.56Å
689	Q	81.6	Confident	86.3	Confident	126 Å²	126	33.9 Å²	33.9	59%	0.589	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-64.7	-19.8	175.9	-61.2	176.1	8.5	0	0	112.9	E686 L687 E691 S692	E686-Q689 VanDerWaalsContact O-CB 3.31Å; E686-Q689 WeakPolarHBondContact O-CB 3.36Å; E686-Q689 VanDerWaalsContact O-CG 3.28Å; E686-Q689 WeakPolarHBondContact O-CG 3.27Å; E686-Q689 PolarHBondContact O-N 2.77Å; L687-Q689 PolarHBondContact O-N 2.99Å; Q689-E691 PolarHBondContact O-N 2.93Å; Q689-S692 WeakPolarHBondContact O-CB 3.33Å; Q689-S692 PolarHBondContact O-N 3.24Å
690	L	85.2	Confident	86.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-56.9	-30.1	174.6	-73.1	170.4	0	0	0	112.4	I567 H665 C668 L687 C688 S692 L693 Y694 V697	I567-L690 HydrophobicContact CD1-CB 4.11Å; I567-L690 HydrophobicContact CD1-CD1 4.04Å; H665-L690 WeakPolarHBondContact NE2-CD2 3.31Å; C668-L690 HydrophobicContact CB-CD1 3.68Å; L687-L690 HydrophobicContact CD2-CD1 4.39Å; L687-L690 VanDerWaalsContact O-CB 3.27Å; L687-L690 WeakPolarHBondContact O-CB 3.41Å; L687-L690 WeakPolarHBondContact O-CG 3.42Å; L687-L690 PolarHBondContact O-N 2.85Å; C688-L690 PolarHBondContact O-N 3.15Å; L690-S692 PolarHBondContact O-N 3.31Å; L690-L693 HydrophobicContact CD2-CD1 4.46Å; L690-L693 PolarHBondContact O-N 3.1Å; L690-Y694 HydrophobicContact CD2-CD2 3.98Å; L690-Y694 HydrophobicContact CD2-CE2 3.95Å; L690-Y694 PolarHBondContact O-N 3.31Å; L690-V697 HydrophobicContact CB-CG1 4.29Å; L690-V697 HydrophobicContact CB-CG2 4.42Å
691	E	84.6	Confident	86.1	Confident	39 Å²	39	36 Å²	36	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-29.8	173.8	-177.2	177.7	-146.3	0	0	113.1	C688 Q689 V697 N699 R776	C688-E691 WeakPolarHBondContact O-CB 3.48Å; C688-E691 PolarHBondContact O-N 3.49Å; Q689-E691 PolarHBondContact O-N 2.93Å; E691-V697 HydrophobicContact CB-CG1 4.14Å; E691-N699 WeakPolarHBondContact CB-ND2 3.47Å; E691-N699 PolarHBondContact OE2-ND2 3.28Å; E691-R776 IonicContact OE1-CZ 3.16Å; E691-R776 IonicContact OE1-NH1 2.77Å; E691-R776 PolarHBondContact OE1-NH1 3.48Å; E691-R776 IonicContact OE1-NH2 2.69Å; E691-R776 PolarHBondContact OE1-NH2 3.3Å
692	S	80.3	Confident	86	Confident	58 Å²	58	36.1 Å²	36.1	41%	0.406	18%	0.182	S	C	.	.	H	α-helix	trans	-82	-18.7	176.6	-58.2	0	0	0	0	112.9	Q689 L690 T772	Q689-S692 WeakPolarHBondContact O-CB 3.33Å; Q689-S692 PolarHBondContact O-N 3.24Å; L690-S692 PolarHBondContact O-N 3.31Å; S692-T772 WeakPolarHBondContact O-CG2 3.45Å
693	L	82.9	Confident	85.8	Confident	104 Å²	104	39 Å²	39	55%	0.545	20%	0.195	S	C	.	.	H	α-helix	trans	-95.9	-34.1	-179	-62.6	174.5	0	0	0	111.9	L690	L690-L693 HydrophobicContact CD2-CD1 4.46Å; L690-L693 PolarHBondContact O-N 3.1Å
694	Y	85.2	Confident	85.7	Confident	67 Å²	67	37 Å²	37	26%	0.263	19%	0.188	S	C	.	.			trans	-126.5	119.9	-171.1	-65.6	-70.6	0	0	0	110.9	E669 L672 L690 N696 V697	E669-Y694 PolarHBondContact OE1-OH 3Å; L672-Y694 HydrophobicContact CD1-CD2 3.85Å; L672-Y694 HydrophobicContact CD1-CE2 4.29Å; L672-Y694 HydrophobicContact CD1-CG 4.1Å; L690-Y694 HydrophobicContact CD2-CD2 3.98Å; L690-Y694 HydrophobicContact CD2-CE2 3.95Å; L690-Y694 PolarHBondContact O-N 3.31Å; Y694-N696 WeakPolarHBondContact CB-OD1 3.43Å; Y694-N696 PolarHBondContact O-N 3.41Å; Y694-V697 PolarHBondContact O-N 2.95Å
695	P	83.1	Confident	85.5	Confident	42 Å²	42	40.4 Å²	40.4	27%	0.273	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23.8	-173.2	26.7	-34.7	0	0	0	113.5	R776 Y779 H780	P695-R776 HydrophobicContact CB-CB 4.09Å; P695-R776 HydrophobicContact CB-CG 4.03Å; P695-R776 PolarHBondContact O-NE 2.97Å; P695-Y779 HydrophobicContact CB-CD1 4.1Å; P695-Y779 HydrophobicContact CB-CG 4.43Å; P695-Y779 HydrophobicContact CG-CD1 4.37Å; P695-H780 PolarHBondContact O-NE2 3.33Å
696	N	86.5	Confident	85	Confident	24 Å²	24	42.6 Å²	42.6	13%	0.128	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.2	-178.3	62.6	-35.1	0	0	0	114.8	G562 S563 N564 F565 Y694 Y779	G562-N696 WeakPolarHBondContact O-CA 3.2Å; S563-N696 CarbonylContact C-O 3.47Å; S563-N696 VanDerWaalsContact CA-O 3.32Å; S563-N696 WeakPolarHBondContact CA-O 3.41Å; N564-N696 PolarHBondContact N-O 3.18Å; N564-N696 WeakPolarHBondContact OD1-CB 3.29Å; N564-N696 PolarHBondContact OD1-ND2 3.22Å; F565-N696 PolarHBondContact N-O 2.95Å; Y694-N696 WeakPolarHBondContact CB-OD1 3.43Å; Y694-N696 PolarHBondContact O-N 3.41Å; N696-Y779 HydrophobicContact CB-CE1 4.28Å
697	V	90.6	Very high	84.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	137.7	171.5	175.7	0	0	0	0	109.4	F565 I567 L672 L690 E691 Y694 R776	F565-V697 HydrophobicContact CB-CG2 4.21Å; F565-V697 HydrophobicContact CD1-CG1 4.49Å; F565-V697 HydrophobicContact CD1-CG2 4.37Å; F565-V697 CarbonylContact O-C 3.38Å; F565-V697 VanDerWaalsContact O-CA 3.32Å; F565-V697 WeakPolarHBondContact O-CA 3.35Å; I567-V697 HydrophobicContact CD1-CG1 3.76Å; I567-V697 HydrophobicContact CG1-CG1 4.16Å; L672-V697 HydrophobicContact CD1-CG2 3.81Å; L672-V697 HydrophobicContact CD2-CG2 3.59Å; L672-V697 HydrophobicContact CG-CG2 4.32Å; L690-V697 HydrophobicContact CB-CG1 4.29Å; L690-V697 HydrophobicContact CB-CG2 4.42Å; E691-V697 HydrophobicContact CB-CG1 4.14Å; Y694-V697 PolarHBondContact O-N 2.95Å; V697-R776 PolarHBondContact O-NH2 2.84Å
698	E	91.3	Very high	83.2	Confident	14 Å²	14	51.1 Å²	51.1	7%	0.065	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.5	172.6	-172	174.6	157.3	0	0	110.1	F565 V566 I567 Q700 R725	F565-E698 PolarHBondContact O-N 3.49Å; V566-E698 CarbonylContact C-O 3.53Å; V566-E698 WeakPolarHBondContact CA-O 3.48Å; I567-E698 PolarHBondContact N-O 3.27Å; E698-Q700 HydrophobicContact CG-CG 4.42Å; E698-Q700 PolarHBondContact OE1-NE2 2.8Å; E698-Q700 VanDerWaalsContact OE1-NE2 3.09Å; E698-R725 IonicContact OE1-CZ 2.79Å; E698-R725 IonicContact OE1-NE 3.49Å; E698-R725 PolarHBondContact OE1-NE 2.75Å; E698-R725 IonicContact OE1-NH2 3.49Å; E698-R725 PolarHBondContact OE1-NH2 2.8Å
699	N	91.7	Very high	81.8	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.011	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.4	173.7	-73.2	-33.6	0	0	0	110.6	I567 C688 E691 G726 C727	I567-N699 WeakPolarHBondContact CB-OD1 2.91Å; C688-N699 PolarHBondContact O-ND2 3.45Å; E691-N699 WeakPolarHBondContact CB-ND2 3.47Å; E691-N699 PolarHBondContact OE2-ND2 3.28Å; N699-G726 PolarHBondContact O-N 3.16Å; N699-C727 PolarHBondContact ND2-SG 2.97Å
700	Q	93.3	Very high	80.3	Confident	10 Å²	10	59.9 Å²	59.9	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.9	174	-63.3	178.4	-9.6	0	0	109.2	V566 I567 V568 T569 E698 L723 S724 G726	V566-Q700 HydrophobicContact CG1-CB 4.31Å; V566-Q700 HydrophobicContact CG1-CG 3.99Å; I567-Q700 PolarHBondContact O-N 3.48Å; I567-Q700 VanDerWaalsContact O-O 3.09Å; V568-Q700 CarbonylContact C-O 3.4Å; V568-Q700 WeakPolarHBondContact CA-O 3.36Å; T569-Q700 PolarHBondContact N-O 3.43Å; T569-Q700 PolarHBondContact OG1-O 3.33Å; E698-Q700 HydrophobicContact CG-CG 4.42Å; E698-Q700 PolarHBondContact OE1-NE2 2.8Å; E698-Q700 VanDerWaalsContact OE1-NE2 3.09Å; Q700-L723 HydrophobicContact CB-CD1 3.98Å; Q700-L723 HydrophobicContact CB-CG 4.25Å; Q700-L723 VanDerWaalsContact OE1-CD2 3.23Å; Q700-S724 CarbonylContact C-O 3.56Å; Q700-S724 WeakPolarHBondContact CA-O 3.47Å; Q700-G726 CarbonylContact C-O 3.45Å; Q700-G726 WeakPolarHBondContact CA-O 3.33Å
701	H	91.6	Very high	78.8	Confident	34 Å²	34	67.6 Å²	67.6	16%	0.157	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.1	176.4	71.6	-79	0	0	0	112.2	T569 S724 G726	T569-H701 CarbonylContact O-C 3.59Å; T569-H701 WeakPolarHBondContact O-CA 3.47Å; T569-H701 WeakPolarHBondContact OG1-CB 3.27Å; H701-S724 PolarHBondContact N-O 2.9Å; H701-S724 PolarHBondContact O-N 2.85Å; H701-G726 PolarHBondContact N-O 3.4Å; H701-G726 PolarHBondContact ND1-O 3.2Å
702	M	89.4	Confident	77.4	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	124.3	171.1	-59.6	-59.8	-70.1	0	0	109.5	T569 S574 K576 Y721 L722 L723	T569-M702 PolarHBondContact O-N 3.05Å; S574-M702 WeakPolarHBondContact O-CE 3.35Å; K576-M702 HydrophobicContact CG-CG 3.74Å; M702-Y721 WeakPolarHBondContact CE-O 3.38Å; M702-L722 WeakPolarHBondContact CA-O 3.33Å; M702-L723 HydrophobicContact SD-CB 4.25Å; M702-L723 HydrophobicContact SD-CD1 3.64Å
703	E	85.6	Confident	76.2	Confident	62 Å²	62	69.7 Å²	69.7	29%	0.29	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	148.1	-178.1	-177.2	171.2	-175.7	0	0	112.1	T720 L722 S724	E703-T720 WeakPolarHBondContact CB-OG1 3.43Å; E703-T720 PolarHBondContact O-OG1 3.43Å; E703-T720 VanDerWaalsContact O-OG1 3.06Å; E703-L722 HydrophobicContact CB-CB 4.49Å; E703-L722 PolarHBondContact N-O 2.76Å; E703-S724 PolarHBondContact OE2-OG 3.49Å
704	V	82.3	Confident	75	Confident	24 Å²	24	67.3 Å²	67.3	15%	0.145	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	128.9	-175.8	-177.2	0	0	0	0	108.1	P571 V717 E730	P571-V704 HydrophobicContact CG-CG2 3.5Å; V704-V717 HydrophobicContact CG1-CG1 3.24Å; V704-E730 WeakPolarHBondContact CB-OE1 3.49Å; V704-E730 VanDerWaalsContact CG1-OE1 3.22Å; V704-E730 WeakPolarHBondContact CG1-OE1 3.49Å
705	E	78.9	Confident	73.8	Confident	103 Å²	103	67.3 Å²	67.3	48%	0.481	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.5	176.6	-79.1	-177.7	-175.5	0	0	111.1	V718 T720	E705-V718 PolarHBondContact N-O 2.92Å; E705-V718 PolarHBondContact O-N 3.26Å; E705-T720 HydrophobicContact CB-CG2 4.1Å; E705-T720 HydrophobicContact CG-CG2 3.58Å
706	H	71.8	Confident	73	Confident	103 Å²	103	70.5 Å²	70.5	48%	0.477	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	114.5	175.1	-61	-54.7	0	0	0	110.4	E730	H706-E730 IonicContact CE1-OE1 3.22Å; H706-E730 PolarHBondContact CE1-OE1 3.13Å; H706-E730 IonicContact CE1-OE2 3.23Å; H706-E730 IonicContact NE2-OE1 2.7Å; H706-E730 PolarHBondContact NE2-OE1 3.42Å
707	T	65.8	Low	72.2	Confident	70 Å²	70	70.2 Å²	70.2	43%	0.429	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.1	173.2	-53.7	0	0	0	0	109.8	Q716	T707-Q716 PolarHBondContact N-O 2.91Å; T707-Q716 PolarHBondContact O-N 3.21Å
708	R	61.3	Low	71.6	Confident	178 Å²	178	73 Å²	73	67%	0.672	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	119.1	170.6	-76.1	-177.7	176.9	176.6	0.8	109.7	R710 E715	R708-R710 PolarHBondContact O-N 2.95Å; R708-E715 HydrophobicContact CG-CG 3.87Å; R708-E715 IonicContact CZ-OE1 3.75Å; R708-E715 IonicContact NE-OE1 2.82Å; R708-E715 PolarHBondContact NE-OE1 3.01Å; R708-E715 VanDerWaalsContact NE-OE1 3.12Å; R708-E715 IonicContact NH2-OE1 3.69Å; R708-E715 PolarHBondContact NH2-OE1 2.83Å
709	N	55.7	Low	71.2	Confident	77 Å²	77	74.8 Å²	74.8	41%	0.412	38%	0.383	S	S	.	.			trans	-73	121.5	176.5	-155.9	-11.8	0	0	0	109.5	D711 G713 A714	N709-D711 PolarHBondContact O-N 3.24Å; N709-G713 PolarHBondContact O-N 3.48Å; N709-A714 PolarHBondContact N-O 3.07Å
710	R	49.7	Very low	70.8	Confident	242 Å²	242	76.1 Å²	76.1	91%	0.913	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.1	-169.9	-72.3	-174.9	178.5	-171.8	-0.1	113.6	R708	R708-R710 PolarHBondContact O-N 2.95Å
711	D	52.6	Low	70.6	Confident	163 Å²	163	80.8 Å²	80.8	87%	0.872	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-20.8	-175	-64.6	-27.6	0	0	0	114.3	N709	N709-D711 PolarHBondContact O-N 3.24Å
712	S	55.5	Low	70.4	Confident	80 Å²	80	82.5 Å²	82.5	56%	0.559	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-9	-175.9	63.5	0	0	0	0	114.8	A714	S712-A714 PolarHBondContact O-N 2.92Å
713	G	56.6	Low	70.6	Confident	62 Å²	62	83.5 Å²	83.5	64%	0.639	43%	0.425	S	S	*	.			trans	66.1	2.9	-175.8	0	0	0	0	0	114.3	N709	N709-G713 PolarHBondContact O-N 3.48Å
714	A	56.5	Low	70.7	Confident	54 Å²	54	82.1 Å²	82.1	45%	0.446	42%	0.422	S	S	.	.			trans	-76.5	129.8	178.9	0	0	0	0	0	110.5	N709 S712 Q716	N709-A714 PolarHBondContact N-O 3.07Å; S712-A714 PolarHBondContact O-N 2.92Å; A714-Q716 PolarHBondContact O-N 3.03Å
715	E	59.9	Low	71	Confident	66 Å²	66	88 Å²	88	31%	0.308	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	112.6	169.6	-74.2	177.9	165.5	0	0	108.4	R708 R736	R708-E715 HydrophobicContact CG-CG 3.87Å; R708-E715 IonicContact CZ-OE1 3.75Å; R708-E715 IonicContact NE-OE1 2.82Å; R708-E715 PolarHBondContact NE-OE1 3.01Å; R708-E715 VanDerWaalsContact NE-OE1 3.12Å; R708-E715 IonicContact NH2-OE1 3.69Å; R708-E715 PolarHBondContact NH2-OE1 2.83Å; E715-R736 IonicContact OE2-CZ 3.16Å; E715-R736 IonicContact OE2-NH1 2.63Å; E715-R736 PolarHBondContact OE2-NH1 2.97Å; E715-R736 IonicContact OE2-NH2 2.92Å
716	Q	66.2	Low	71.2	Confident	110 Å²	110	84.4 Å²	84.4	51%	0.514	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.5	173.3	-173.7	175.8	7.6	0	0	109.3	T707 A714	T707-Q716 PolarHBondContact N-O 2.91Å; T707-Q716 PolarHBondContact O-N 3.21Å; A714-Q716 PolarHBondContact O-N 3.03Å
717	V	70.9	Confident	71.5	Confident	17 Å²	17	82 Å²	82	10%	0.103	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.4	173.7	-175.3	0	0	0	0	108.6	V704 Y719 Y733 I740	V704-V717 HydrophobicContact CG1-CG1 3.24Å; V717-Y719 HydrophobicContact CG1-CE1 4.19Å; V717-Y733 HydrophobicContact CG1-CE2 4.32Å; V717-I740 HydrophobicContact CG2-CD1 4.35Å
718	V	78.1	Confident	71.7	Confident	58 Å²	58	79.5 Å²	79.5	35%	0.352	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.8	175.7	-178.6	0	0	0	0	108.1	E705 T720	E705-V718 PolarHBondContact N-O 2.92Å; E705-V718 PolarHBondContact O-N 3.26Å; V718-T720 PolarHBondContact O-N 3.16Å
719	Y	81.6	Confident	71.8	Confident	52 Å²	52	78.7 Å²	78.7	20%	0.204	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	119.1	175.2	-47.5	-76.1	0	0	0	109.1	P571 V717 Y721 Y733	P571-Y719 HydrophobicContact CG-CD1 4.48Å; P571-Y719 HydrophobicContact CG-CE1 4.23Å; V717-Y719 HydrophobicContact CG1-CE1 4.19Å; Y719-Y721 VanDerWaalsContact C-N 3.3Å; Y719-Y721 WeakPolarHBondContact O-CD2 3.34Å; Y719-Y721 WeakPolarHBondContact O-CE2 3.28Å; Y719-Y733 AromaticContact CE1-CE2 3.9Å; Y719-Y733 HydrophobicContact CE1-CE2 3.9Å; Y719-Y733 PolarHBondContact OH-OH 3.15Å
720	T	83.9	Confident	72.2	Confident	31 Å²	31	77.3 Å²	77.3	19%	0.19	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-20.7	176.6	62.3	0	0	0	0	111.8	E703 E705 V718 L722	E703-T720 WeakPolarHBondContact CB-OG1 3.43Å; E703-T720 PolarHBondContact O-OG1 3.43Å; E703-T720 VanDerWaalsContact O-OG1 3.06Å; E705-T720 HydrophobicContact CB-CG2 4.1Å; E705-T720 HydrophobicContact CG-CG2 3.58Å; V718-T720 PolarHBondContact O-N 3.16Å; T720-L722 PolarHBondContact O-N 2.83Å; T720-L722 PolarHBondContact OG1-N 2.89Å
721	Y	88.1	Confident	72.8	Confident	107 Å²	107	73.5 Å²	73.5	42%	0.42	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	61.1	16.4	-173.2	-48.6	-75.6	0	0	0	114	V553 N555 S574 M702 Y719	V553-Y721 HydrophobicContact CG2-CD2 4.24Å; N555-Y721 PolarHBondContact ND2-O 3.35Å; N555-Y721 PolarHBondContact OD1-O 2.6Å; S574-Y721 WeakPolarHBondContact O-CD1 3.3Å; M702-Y721 WeakPolarHBondContact CE-O 3.38Å; Y719-Y721 VanDerWaalsContact C-N 3.3Å; Y719-Y721 WeakPolarHBondContact O-CD2 3.34Å; Y719-Y721 WeakPolarHBondContact O-CE2 3.28Å
722	L	89.3	Confident	73.3	Confident	70 Å²	70	69.1 Å²	69.1	37%	0.366	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.4	177.4	-167.2	72.5	0	0	0	110.5	N555 M702 E703 T720	N555-L722 WeakPolarHBondContact OD1-CA 3.45Å; M702-L722 WeakPolarHBondContact CA-O 3.33Å; E703-L722 HydrophobicContact CB-CB 4.49Å; E703-L722 PolarHBondContact N-O 2.76Å; T720-L722 PolarHBondContact O-N 2.83Å; T720-L722 PolarHBondContact OG1-N 2.89Å
723	L	91.8	Very high	74	Confident	24 Å²	24	66.8 Å²	66.8	13%	0.126	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	121.9	174	-171.2	74.2	0	0	0	110.8	N555 V568 Y579 Q700 M702	N555-L723 WeakPolarHBondContact OD1-CB 3.24Å; N555-L723 PolarHBondContact OD1-N 3.47Å; V568-L723 HydrophobicContact CG1-CD1 4.1Å; Y579-L723 HydrophobicContact CD1-CD2 4.44Å; Y579-L723 HydrophobicContact CD2-CD2 4.29Å; Y579-L723 HydrophobicContact CE1-CD2 3.77Å; Y579-L723 HydrophobicContact CE2-CD2 3.6Å; Y579-L723 VanDerWaalsContact OH-CD2 3.3Å; Y579-L723 WeakPolarHBondContact OH-CD2 3.33Å; Q700-L723 HydrophobicContact CB-CD1 3.98Å; Q700-L723 HydrophobicContact CB-CG 4.25Å; Q700-L723 VanDerWaalsContact OE1-CD2 3.23Å; M702-L723 HydrophobicContact SD-CB 4.25Å; M702-L723 HydrophobicContact SD-CD1 3.64Å
724	S	89.6	Confident	74.8	Confident	33 Å²	33	66.4 Å²	66.4	23%	0.231	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	152.2	-179.1	-76.8	0	0	0	0	111.1	Q700 H701 E703	Q700-S724 CarbonylContact C-O 3.56Å; Q700-S724 WeakPolarHBondContact CA-O 3.47Å; H701-S724 PolarHBondContact N-O 2.9Å; H701-S724 PolarHBondContact O-N 2.85Å; E703-S724 PolarHBondContact OE2-OG 3.49Å
725	R	87.3	Confident	75.6	Confident	148 Å²	148	65.5 Å²	65.5	56%	0.558	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	149.2	179.1	-76.6	-173.8	164.4	164.6	4.5	111.6	E698	E698-R725 IonicContact OE1-CZ 2.79Å; E698-R725 IonicContact OE1-NE 3.49Å; E698-R725 PolarHBondContact OE1-NE 2.75Å; E698-R725 IonicContact OE1-NH2 3.49Å; E698-R725 PolarHBondContact OE1-NH2 2.8Å
726	G	83.8	Confident	76.2	Confident	27 Å²	27	66.1 Å²	66.1	28%	0.278	33%	0.334	S	S	.	.	S	Bend	trans	96.5	-175.6	179.5	0	0	0	0	0	113.2	N699 Q700 H701	N699-G726 PolarHBondContact O-N 3.16Å; Q700-G726 CarbonylContact C-O 3.45Å; Q700-G726 WeakPolarHBondContact CA-O 3.33Å; H701-G726 PolarHBondContact N-O 3.4Å; H701-G726 PolarHBondContact ND1-O 3.2Å
727	C	76.9	Confident	76.5	Confident	54 Å²	54	62.5 Å²	62.5	37%	0.365	32%	0.323	S	S	.	.			trans	-87.1	148.2	177.2	-60.1	0	0	0	0	110.7	C688 N699 D729	C688-C727 VanDerWaalsContact CB-SG 3.56Å; N699-C727 PolarHBondContact ND2-SG 2.97Å; C727-D729 PolarHBondContact O-N 2.91Å
728	S	71.1	Confident	76.7	Confident	17 Å²	17	62.8 Å²	62.8	12%	0.119	33%	0.327	C	S	.	.			trans	-65.8	131.7	171.9	62.9	0	0	0	0	111.3	E730	S728-E730 PolarHBondContact O-N 3.36Å
729	D	63.7	Low	76.5	Confident	161 Å²	161	63.2 Å²	63.2	86%	0.861	33%	0.325	S	S	*	.	S	Bend	trans	-71.6	-17.7	171.9	-71.5	-33.6	0	0	0	112.6	C727 R731	C727-D729 PolarHBondContact O-N 2.91Å; D729-R731 PolarHBondContact O-N 2.92Å
730	E	63.7	Low	76	Confident	47 Å²	47	66 Å²	66	22%	0.22	34%	0.342	C	S	.	.			trans	-78.5	87.2	-177.8	-75.3	-161.8	-150.2	0	0	113.5	V704 H706 S728 Q732	V704-E730 WeakPolarHBondContact CB-OE1 3.49Å; V704-E730 VanDerWaalsContact CG1-OE1 3.22Å; V704-E730 WeakPolarHBondContact CG1-OE1 3.49Å; H706-E730 IonicContact CE1-OE1 3.22Å; H706-E730 PolarHBondContact CE1-OE1 3.13Å; H706-E730 IonicContact CE1-OE2 3.23Å; H706-E730 IonicContact NE2-OE1 2.7Å; H706-E730 PolarHBondContact NE2-OE1 3.42Å; S728-E730 PolarHBondContact O-N 3.36Å; E730-Q732 VanDerWaalsContact C-N 3.35Å; E730-Q732 PolarHBondContact O-N 3.3Å
731	R	61.8	Low	75.5	Confident	162 Å²	162	68 Å²	68	61%	0.611	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.5	176.7	-61.5	-176.9	-177.3	-178.8	-1	115	L685 D729	L685-R731 HydrophobicContact CD1-CG 4.11Å; D729-R731 PolarHBondContact O-N 2.92Å
732	Q	63.7	Low	74.9	Confident	71 Å²	71	69.1 Å²	69.1	33%	0.332	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	23.5	-167.7	-66.9	-178.5	-17.4	0	0	114.4	E730 G734 L735 R736	E730-Q732 VanDerWaalsContact C-N 3.35Å; E730-Q732 PolarHBondContact O-N 3.3Å; Q732-G734 VanDerWaalsContact C-N 3.29Å; Q732-G734 PolarHBondContact O-N 3.17Å; Q732-L735 PolarHBondContact O-N 2.91Å; Q732-L735 VanDerWaalsContact O-N 3.12Å; Q732-R736 PolarHBondContact O-N 3.48Å
733	Y	69	Low	74.4	Confident	32 Å²	32	69.6 Å²	69.6	13%	0.125	38%	0.38	C	S	.	.	H	α-helix	trans	-53.1	-42.5	-178.1	169	-96	0	0	0	113.7	P571 N572 V717 Y719 L735 R736 A737	P571-Y733 HydrophobicContact CB-CD1 3.34Å; P571-Y733 HydrophobicContact CB-CD2 3.42Å; P571-Y733 VanDerWaalsContact CB-CD2 3.42Å; P571-Y733 HydrophobicContact CB-CE1 3.39Å; P571-Y733 HydrophobicContact CB-CE2 3.47Å; P571-Y733 VanDerWaalsContact CB-CE2 3.47Å; P571-Y733 HydrophobicContact CB-CG 3.35Å; P571-Y733 VanDerWaalsContact CB-CZ 3.44Å; P571-Y733 HydrophobicContact CG-CD2 3.96Å; P571-Y733 HydrophobicContact CG-CE2 4.04Å; P571-Y733 HydrophobicContact CG-CG 4.25Å; N572-Y733 PolarHBondContact O-OH 3.24Å; V717-Y733 HydrophobicContact CG1-CE2 4.32Å; Y719-Y733 AromaticContact CE1-CE2 3.9Å; Y719-Y733 HydrophobicContact CE1-CE2 3.9Å; Y719-Y733 PolarHBondContact OH-OH 3.15Å; Y733-L735 VanDerWaalsContact C-N 3.26Å; Y733-L735 PolarHBondContact O-N 3.39Å; Y733-R736 CarbonylContact O-C 3.55Å; Y733-R736 WeakPolarHBondContact O-CA 3.18Å; Y733-R736 WeakPolarHBondContact O-CB 3.37Å; Y733-R736 PolarHBondContact O-N 3.42Å; Y733-A737 HydrophobicContact CE1-CB 4.27Å; Y733-A737 PolarHBondContact O-N 2.72Å
734	G	73.1	Confident	74.1	Confident	54 Å²	54	71.4 Å²	71.4	56%	0.557	39%	0.393	S	S	*	.	H	α-helix	trans	-58.8	-37.4	-179.2	0	0	0	0	0	113.4	Q732 A738	Q732-G734 VanDerWaalsContact C-N 3.29Å; Q732-G734 PolarHBondContact O-N 3.17Å; G734-A738 PolarHBondContact O-N 3.45Å; G734-A738 VanDerWaalsContact O-N 3.09Å
735	L	75.2	Confident	73.8	Confident	35 Å²	35	74.2 Å²	74.2	18%	0.183	41%	0.411	C	S	.	.	H	α-helix	trans	-71.8	-33	175.3	-64.3	175.3	0	0	0	111.9	Q732 Y733 A738 E739 A751 K752 A755	Q732-L735 PolarHBondContact O-N 2.91Å; Q732-L735 VanDerWaalsContact O-N 3.12Å; Y733-L735 VanDerWaalsContact C-N 3.26Å; Y733-L735 PolarHBondContact O-N 3.39Å; L735-A738 WeakPolarHBondContact O-CB 3.47Å; L735-A738 PolarHBondContact O-N 2.98Å; L735-E739 PolarHBondContact O-N 3Å; L735-A751 HydrophobicContact CD2-CB 3.56Å; L735-K752 HydrophobicContact CD1-CB 4.45Å; L735-K752 HydrophobicContact CD1-CG 3.87Å; L735-A755 HydrophobicContact CD1-CB 3.84Å
736	R	71.5	Confident	73.8	Confident	79 Å²	79	70.9 Å²	70.9	30%	0.298	41%	0.411	S	S	.	.	H	α-helix	trans	-71.8	-38.5	174.9	-62.5	-56.8	-161.4	134.1	15	112.3	E715 Q732 Y733 A738 E739 I740	E715-R736 IonicContact OE2-CZ 3.16Å; E715-R736 IonicContact OE2-NH1 2.63Å; E715-R736 PolarHBondContact OE2-NH1 2.97Å; E715-R736 IonicContact OE2-NH2 2.92Å; Q732-R736 PolarHBondContact O-N 3.48Å; Y733-R736 CarbonylContact O-C 3.55Å; Y733-R736 WeakPolarHBondContact O-CA 3.18Å; Y733-R736 WeakPolarHBondContact O-CB 3.37Å; Y733-R736 PolarHBondContact O-N 3.42Å; R736-A738 VanDerWaalsContact C-N 3.27Å; R736-A738 PolarHBondContact O-N 2.86Å; R736-E739 WeakPolarHBondContact CD-OE2 3.15Å; R736-E739 IonicContact CZ-OE2 3.16Å; R736-E739 IonicContact NE-OE2 2.85Å; R736-E739 IonicContact NH1-OE2 3.05Å; R736-E739 PolarHBondContact NH1-OE2 2.82Å; R736-E739 VanDerWaalsContact NH1-OE2 3.12Å; R736-E739 WeakPolarHBondContact O-CB 3.28Å; R736-E739 PolarHBondContact O-N 3.5Å; R736-E739 VanDerWaalsContact O-N 3.15Å; R736-I740 PolarHBondContact O-N 2.97Å
737	A	72.7	Confident	74	Confident	34 Å²	34	73.8 Å²	73.8	28%	0.281	42%	0.419	S	S	.	.	H	α-helix	trans	-61.1	-40.5	171	0	0	0	0	0	110.8	Y733 E739 I740 T741	Y733-A737 HydrophobicContact CE1-CB 4.27Å; Y733-A737 PolarHBondContact O-N 2.72Å; A737-E739 VanDerWaalsContact C-N 3.33Å; A737-E739 PolarHBondContact O-N 3.43Å; A737-I740 PolarHBondContact O-N 3.21Å; A737-T741 PolarHBondContact O-N 3.08Å
738	A	75.3	Confident	74.4	Confident	22 Å²	22	71.9 Å²	71.9	18%	0.182	41%	0.405	C	S	.	.	H	α-helix	trans	-63.1	-33.6	173.5	0	0	0	0	0	113.2	G734 L735 R736 I740 T741 L743	G734-A738 PolarHBondContact O-N 3.45Å; G734-A738 VanDerWaalsContact O-N 3.09Å; L735-A738 WeakPolarHBondContact O-CB 3.47Å; L735-A738 PolarHBondContact O-N 2.98Å; R736-A738 VanDerWaalsContact C-N 3.27Å; R736-A738 PolarHBondContact O-N 2.86Å; A738-I740 VanDerWaalsContact C-N 3.26Å; A738-I740 PolarHBondContact O-N 2.88Å; A738-T741 PolarHBondContact O-N 3.32Å; A738-T741 VanDerWaalsContact O-N 3.11Å; A738-T741 PolarHBondContact O-OG1 3.44Å; A738-L743 HydrophobicContact CB-CD1 3.85Å
739	E	74.4	Confident	75	Confident	68 Å²	68	77.4 Å²	77.4	32%	0.318	43%	0.429	S	S	.	.	H	α-helix	trans	-62.1	-30.8	173.3	-78.3	175.9	167	0	0	114	L735 R736 A737 T741 I748 K752	L735-E739 PolarHBondContact O-N 3Å; R736-E739 WeakPolarHBondContact CD-OE2 3.15Å; R736-E739 IonicContact CZ-OE2 3.16Å; R736-E739 IonicContact NE-OE2 2.85Å; R736-E739 IonicContact NH1-OE2 3.05Å; R736-E739 PolarHBondContact NH1-OE2 2.82Å; R736-E739 VanDerWaalsContact NH1-OE2 3.12Å; R736-E739 WeakPolarHBondContact O-CB 3.28Å; R736-E739 PolarHBondContact O-N 3.5Å; R736-E739 VanDerWaalsContact O-N 3.15Å; A737-E739 VanDerWaalsContact C-N 3.33Å; A737-E739 PolarHBondContact O-N 3.43Å; E739-T741 VanDerWaalsContact C-N 3.27Å; E739-I748 HydrophobicContact CB-CD1 4.44Å; E739-I748 HydrophobicContact CG-CD1 3.93Å; E739-I748 HydrophobicContact CG-CG1 4.41Å; E739-I748 HydrophobicContact CG-CG2 3.51Å; E739-I748 WeakPolarHBondContact OE1-CG2 3.4Å; E739-K752 WeakPolarHBondContact OE1-CE 3.2Å; E739-K752 IonicContact OE1-NZ 2.89Å; E739-K752 PolarHBondContact OE1-NZ 3.38Å; E739-K752 IonicContact OE2-NZ 3.53Å
740	I	70.8	Confident	76.1	Confident	110 Å²	110	76 Å²	76	56%	0.564	42%	0.417	S	S	*	.	H	α-helix	trans	-77.7	-20	178.4	-59.2	166.4	0	0	0	110.5	V717 R736 A737 A738	V717-I740 HydrophobicContact CG2-CD1 4.35Å; R736-I740 PolarHBondContact O-N 2.97Å; A737-I740 PolarHBondContact O-N 3.21Å; A738-I740 VanDerWaalsContact C-N 3.26Å; A738-I740 PolarHBondContact O-N 2.88Å
741	T	73.4	Confident	77.1	Confident	74 Å²	74	75.4 Å²	75.4	45%	0.454	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	168.2	174.6	72.6	0	0	0	0	112	A737 A738 E739 L743	A737-T741 PolarHBondContact O-N 3.08Å; A738-T741 PolarHBondContact O-N 3.32Å; A738-T741 VanDerWaalsContact O-N 3.11Å; A738-T741 PolarHBondContact O-OG1 3.44Å; E739-T741 VanDerWaalsContact C-N 3.27Å; T741-L743 PolarHBondContact O-N 3Å; T741-L743 WeakPolarHBondContact OG1-CD1 3.4Å; T741-L743 WeakPolarHBondContact OG1-CG 3.17Å
742	S	75.4	Confident	78.1	Confident	129 Å²	129	70.5 Å²	70.5	90%	0.902	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	25.9	178.2	52	0	0	0	0	114.4
743	L	79.4	Confident	79.1	Confident	80 Å²	80	72.7 Å²	72.7	42%	0.419	42%	0.416	S	S	.	.			trans	-73.2	138.7	178.5	-79.1	170	0	0	0	111.1	A738 T741 I748	A738-L743 HydrophobicContact CB-CD1 3.85Å; T741-L743 PolarHBondContact O-N 3Å; T741-L743 WeakPolarHBondContact OG1-CD1 3.4Å; T741-L743 WeakPolarHBondContact OG1-CG 3.17Å; L743-I748 HydrophobicContact CB-CD1 4.19Å; L743-I748 HydrophobicContact CB-CG1 4.46Å
744	P	85.3	Confident	79.8	Confident	62 Å²	62	75.1 Å²	75.1	40%	0.403	43%	0.434	S	S	.	.			trans	-56.8	136.2	176	-25.6	32.5	0	0	0	112.5	S746 I747 I748	P744-S746 PolarHBondContact O-N 3.39Å; P744-S746 VanDerWaalsContact O-N 3.15Å; P744-I747 HydrophobicContact CB-CD1 4.34Å; P744-I747 HydrophobicContact CB-CG1 4.28Å; P744-I747 HydrophobicContact CG-CD1 4.05Å; P744-I747 PolarHBondContact O-N 3.45Å; P744-I748 PolarHBondContact O-N 3.27Å
745	P	83.1	Confident	80.1	Confident	92 Å²	92	74 Å²	74	60%	0.597	42%	0.42	S	S	*	.	H	α-helix	trans	-62.8	-24.8	-177.9	22.9	-32.6	0	0	0	113.3	I748 Q749	P745-I748 PolarHBondContact O-N 3.05Å; P745-Q749 WeakPolarHBondContact O-CB 3.24Å; P745-Q749 WeakPolarHBondContact O-CG 3.45Å; P745-Q749 PolarHBondContact O-N 3.27Å
746	S	87.4	Confident	80.2	Confident	79 Å²	79	75 Å²	75	55%	0.552	43%	0.429	S	S	*	.	H	α-helix	trans	-61.5	-42	173.6	49.6	0	0	0	0	112.5	P744 Q749 E750	P744-S746 PolarHBondContact O-N 3.39Å; P744-S746 VanDerWaalsContact O-N 3.15Å; S746-Q749 PolarHBondContact O-N 3.1Å; S746-E750 PolarHBondContact O-N 3.18Å; S746-E750 VanDerWaalsContact O-N 3.09Å
747	I	87	Confident	80.5	Confident	88 Å²	88	78 Å²	78	45%	0.451	44%	0.444	S	S	.	.	H	α-helix	trans	-66.9	-42.6	179.1	-60.7	-178.6	0	0	0	110.2	P744 E750 A751	P744-I747 HydrophobicContact CB-CD1 4.34Å; P744-I747 HydrophobicContact CB-CG1 4.28Å; P744-I747 HydrophobicContact CG-CD1 4.05Å; P744-I747 PolarHBondContact O-N 3.45Å; I747-E750 PolarHBondContact O-N 2.95Å; I747-A751 VanDerWaalsContact O-CB 3.3Å; I747-A751 WeakPolarHBondContact O-CB 3.41Å; I747-A751 PolarHBondContact O-N 3.36Å
748	I	85	Confident	80.6	Confident	14 Å²	14	79.8 Å²	79.8	7%	0.072	45%	0.451	C	S	.	.	H	α-helix	trans	-64.6	-44.2	179.6	-66.8	157.5	0	0	0	110.9	E739 L743 P744 P745 A751 K752	E739-I748 HydrophobicContact CB-CD1 4.44Å; E739-I748 HydrophobicContact CG-CD1 3.93Å; E739-I748 HydrophobicContact CG-CG1 4.41Å; E739-I748 HydrophobicContact CG-CG2 3.51Å; E739-I748 WeakPolarHBondContact OE1-CG2 3.4Å; L743-I748 HydrophobicContact CB-CD1 4.19Å; L743-I748 HydrophobicContact CB-CG1 4.46Å; P744-I748 PolarHBondContact O-N 3.27Å; P745-I748 PolarHBondContact O-N 3.05Å; I748-A751 PolarHBondContact O-N 3.38Å; I748-K752 WeakPolarHBondContact O-CG 3.33Å; I748-K752 PolarHBondContact O-N 3.02Å
749	Q	84.5	Confident	80.2	Confident	133 Å²	133	80.7 Å²	80.7	62%	0.621	46%	0.456	S	S	*	.	H	α-helix	trans	-61.6	-44.5	177.7	-77.1	-179.1	-1.1	0	0	111.6	P745 S746 K752 L753	P745-Q749 WeakPolarHBondContact O-CB 3.24Å; P745-Q749 WeakPolarHBondContact O-CG 3.45Å; P745-Q749 PolarHBondContact O-N 3.27Å; S746-Q749 PolarHBondContact O-N 3.1Å; Q749-K752 PolarHBondContact O-N 2.99Å; Q749-L753 WeakPolarHBondContact O-CG 3.03Å; Q749-L753 PolarHBondContact O-N 3.38Å; Q749-L753 VanDerWaalsContact O-N 3.08Å
750	E	86.8	Confident	79.9	Confident	132 Å²	132	83.6 Å²	83.6	62%	0.617	47%	0.47	S	S	*	.	H	α-helix	trans	-63.3	-44.8	176.4	-170.7	170.7	-169.2	0	0	111.6	S746 I747 K752 L753 V754	S746-E750 PolarHBondContact O-N 3.18Å; S746-E750 VanDerWaalsContact O-N 3.09Å; I747-E750 PolarHBondContact O-N 2.95Å; E750-K752 VanDerWaalsContact C-N 3.32Å; E750-K752 PolarHBondContact O-N 2.63Å; E750-L753 WeakPolarHBondContact O-CB 3.39Å; E750-L753 PolarHBondContact O-N 3.34Å; E750-L753 VanDerWaalsContact O-N 3.12Å; E750-V754 WeakPolarHBondContact O-CG2 3.43Å; E750-V754 PolarHBondContact O-N 2.98Å
751	A	84.4	Confident	79.5	Confident	33 Å²	33	85.9 Å²	85.9	27%	0.273	48%	0.478	S	S	.	.	H	α-helix	trans	-61.1	-38.6	177	0	0	0	0	0	112.5	L735 I747 I748 V754 A755	L735-A751 HydrophobicContact CD2-CB 3.56Å; I747-A751 VanDerWaalsContact O-CB 3.3Å; I747-A751 WeakPolarHBondContact O-CB 3.41Å; I747-A751 PolarHBondContact O-N 3.36Å; I748-A751 PolarHBondContact O-N 3.38Å; A751-V754 PolarHBondContact O-N 2.89Å; A751-A755 VanDerWaalsContact O-CB 3.32Å; A751-A755 WeakPolarHBondContact O-CB 3.48Å; A751-A755 PolarHBondContact O-N 3Å
752	K	83.3	Confident	78.8	Confident	59 Å²	59	87.8 Å²	87.8	26%	0.257	49%	0.485	S	S	.	.	H	α-helix	trans	-62.1	-43	172.5	-77.5	-178.2	179.1	-175.6	0	112.5	L735 E739 I748 Q749 E750 A755 C756	L735-K752 HydrophobicContact CD1-CB 4.45Å; L735-K752 HydrophobicContact CD1-CG 3.87Å; E739-K752 WeakPolarHBondContact OE1-CE 3.2Å; E739-K752 IonicContact OE1-NZ 2.89Å; E739-K752 PolarHBondContact OE1-NZ 3.38Å; E739-K752 IonicContact OE2-NZ 3.53Å; I748-K752 WeakPolarHBondContact O-CG 3.33Å; I748-K752 PolarHBondContact O-N 3.02Å; Q749-K752 PolarHBondContact O-N 2.99Å; E750-K752 VanDerWaalsContact C-N 3.32Å; E750-K752 PolarHBondContact O-N 2.63Å; K752-A755 PolarHBondContact O-N 2.88Å; K752-C756 WeakPolarHBondContact O-CB 3.2Å; K752-C756 PolarHBondContact O-N 3.4Å
753	L	83.9	Confident	77.9	Confident	118 Å²	118	86.5 Å²	86.5	62%	0.618	47%	0.468	S	S	*	.	H	α-helix	trans	-63.2	-44.3	177.7	-70.9	172.6	0	0	0	111.3	Q749 E750 C756 K757	Q749-L753 WeakPolarHBondContact O-CG 3.03Å; Q749-L753 PolarHBondContact O-N 3.38Å; Q749-L753 VanDerWaalsContact O-N 3.08Å; E750-L753 WeakPolarHBondContact O-CB 3.39Å; E750-L753 PolarHBondContact O-N 3.34Å; E750-L753 VanDerWaalsContact O-N 3.12Å; L753-C756 PolarHBondContact O-N 3.25Å; L753-K757 WeakPolarHBondContact O-CG 3.38Å; L753-K757 PolarHBondContact O-N 3.12Å; L753-K757 VanDerWaalsContact O-N 3.15Å
754	V	83.3	Confident	76.4	Confident	83 Å²	83	86.7 Å²	86.7	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-48	177	175.7	0	0	0	0	110.9	E750 A751 C756 K757 V758	E750-V754 WeakPolarHBondContact O-CG2 3.43Å; E750-V754 PolarHBondContact O-N 2.98Å; A751-V754 PolarHBondContact O-N 2.89Å; V754-C756 VanDerWaalsContact C-N 3.28Å; V754-C756 PolarHBondContact O-N 2.88Å; V754-K757 PolarHBondContact O-N 2.97Å; V754-K757 VanDerWaalsContact O-N 3.14Å; V754-V758 HydrophobicContact CG1-CG2 4.45Å; V754-V758 WeakPolarHBondContact O-CG2 3.28Å; V754-V758 PolarHBondContact O-N 2.94Å
755	A	80.1	Confident	74.5	Confident	30 Å²	30	92 Å²	92	25%	0.248	50%	0.497	C	S	.	.	H	α-helix	trans	-59.7	-38.1	178.7	0	0	0	0	0	112.6	L735 A751 K752 V758 S759	L735-A755 HydrophobicContact CD1-CB 3.84Å; A751-A755 VanDerWaalsContact O-CB 3.32Å; A751-A755 WeakPolarHBondContact O-CB 3.48Å; A751-A755 PolarHBondContact O-N 3Å; K752-A755 PolarHBondContact O-N 2.88Å; A755-V758 PolarHBondContact O-N 3.47Å; A755-S759 WeakPolarHBondContact O-CB 3.44Å; A755-S759 PolarHBondContact O-N 3.37Å; A755-S759 PolarHBondContact O-OG 3.46Å
756	C	77.9	Confident	73	Confident	55 Å²	55	98.4 Å²	98.4	37%	0.372	51%	0.51	S	S	.	.	H	α-helix	trans	-64.3	-44.1	175.9	-165.4	0	0	0	0	111.7	K752 L753 V754 V758 S759 Q760	K752-C756 WeakPolarHBondContact O-CB 3.2Å; K752-C756 PolarHBondContact O-N 3.4Å; L753-C756 PolarHBondContact O-N 3.25Å; V754-C756 VanDerWaalsContact C-N 3.28Å; V754-C756 PolarHBondContact O-N 2.88Å; C756-V758 PolarHBondContact O-N 3.43Å; C756-S759 PolarHBondContact O-N 3.28Å; C756-Q760 WeakPolarHBondContact O-CG 3.39Å; C756-Q760 PolarHBondContact O-N 3.14Å
757	K	78.1	Confident	71.2	Confident	142 Å²	142	100.6 Å²	100.6	62%	0.617	52%	0.522	S	S	*	.	H	α-helix	trans	-61	-44.8	175.9	-73.2	178.8	-179	178.1	0	112.3	L753 V754 Q760 Q761	L753-K757 WeakPolarHBondContact O-CG 3.38Å; L753-K757 PolarHBondContact O-N 3.12Å; L753-K757 VanDerWaalsContact O-N 3.15Å; V754-K757 PolarHBondContact O-N 2.97Å; V754-K757 VanDerWaalsContact O-N 3.14Å; K757-Q760 PolarHBondContact O-N 3.02Å; K757-Q761 WeakPolarHBondContact O-CG 3.33Å; K757-Q761 PolarHBondContact O-N 2.96Å
758	V	73.4	Confident	69.6	Low	72 Å²	72	98.9 Å²	98.9	44%	0.436	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-43.8	177.9	175.4	0	0	0	0	110.8	V754 A755 C756 Q760 Q761 L762	V754-V758 HydrophobicContact CG1-CG2 4.45Å; V754-V758 WeakPolarHBondContact O-CG2 3.28Å; V754-V758 PolarHBondContact O-N 2.94Å; A755-V758 PolarHBondContact O-N 3.47Å; C756-V758 PolarHBondContact O-N 3.43Å; V758-Q760 PolarHBondContact O-N 3.3Å; V758-Q761 PolarHBondContact O-N 3.37Å; V758-L762 HydrophobicContact CG1-CD1 3.95Å; V758-L762 WeakPolarHBondContact O-CG 3.49Å; V758-L762 PolarHBondContact O-N 2.99Å; V758-L762 VanDerWaalsContact O-N 3.17Å
759	S	68.1	Low	68.6	Low	41 Å²	41	102.2 Å²	102.2	29%	0.287	54%	0.539	S	S	.	.	H	α-helix	trans	-62	-41.5	178.1	-59.1	0	0	0	0	112.4	A755 C756 Q761 L762 L763	A755-S759 WeakPolarHBondContact O-CB 3.44Å; A755-S759 PolarHBondContact O-N 3.37Å; A755-S759 PolarHBondContact O-OG 3.46Å; C756-S759 PolarHBondContact O-N 3.28Å; S759-Q761 VanDerWaalsContact C-N 3.32Å; S759-Q761 PolarHBondContact O-N 3.47Å; S759-L762 PolarHBondContact O-N 3.43Å; S759-L763 WeakPolarHBondContact O-CB 3.45Å; S759-L763 WeakPolarHBondContact O-CD1 3.3Å; S759-L763 VanDerWaalsContact O-CG 3.27Å; S759-L763 WeakPolarHBondContact O-CG 3.43Å; S759-L763 PolarHBondContact O-N 3Å
760	Q	67	Low	67.9	Low	129 Å²	129	98.7 Å²	98.7	60%	0.603	53%	0.528	S	S	*	.	H	α-helix	trans	-64.6	-34.7	178	-75.8	177.4	-7.2	0	0	112.7	C756 K757 V758	C756-Q760 WeakPolarHBondContact O-CG 3.39Å; C756-Q760 PolarHBondContact O-N 3.14Å; K757-Q760 PolarHBondContact O-N 3.02Å; V758-Q760 PolarHBondContact O-N 3.3Å
761	Q	63.8	Low	67.2	Low	159 Å²	159	98.5 Å²	98.5	74%	0.743	53%	0.527	S	S	*	.	H	α-helix	trans	-70.1	-33	175.4	-71.4	178.4	-14	0	0	112.4	K757 V758 S759	K757-Q761 WeakPolarHBondContact O-CG 3.33Å; K757-Q761 PolarHBondContact O-N 2.96Å; V758-Q761 PolarHBondContact O-N 3.37Å; S759-Q761 VanDerWaalsContact C-N 3.32Å; S759-Q761 PolarHBondContact O-N 3.47Å
762	L	58.8	Low	66.5	Low	114 Å²	114	98.9 Å²	98.9	60%	0.597	53%	0.525	S	S	*	.	H	α-helix	trans	-78.7	-34.7	177.9	-69.6	165.1	0	0	0	113.1	V758 S759 A764	V758-L762 HydrophobicContact CG1-CD1 3.95Å; V758-L762 WeakPolarHBondContact O-CG 3.49Å; V758-L762 PolarHBondContact O-N 2.99Å; V758-L762 VanDerWaalsContact O-N 3.17Å; S759-L762 PolarHBondContact O-N 3.43Å; L762-A764 VanDerWaalsContact C-N 3.29Å; L762-A764 PolarHBondContact O-N 3.3Å
763	L	55.5	Low	65.8	Low	102 Å²	102	99.9 Å²	99.9	53%	0.534	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.1	-177.4	-74.6	159.8	0	0	0	114.7	S759 K765	S759-L763 WeakPolarHBondContact O-CB 3.45Å; S759-L763 WeakPolarHBondContact O-CD1 3.3Å; S759-L763 VanDerWaalsContact O-CG 3.27Å; S759-L763 WeakPolarHBondContact O-CG 3.43Å; S759-L763 PolarHBondContact O-N 3Å; L763-K765 PolarHBondContact O-N 3.04Å
764	A	47.8	Very low	65.4	Low	84 Å²	84	101.7 Å²	101.7	69%	0.694	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	6.2	-177.5	0	0	0	0	0	114.7	L762	L762-A764 VanDerWaalsContact C-N 3.29Å; L762-A764 PolarHBondContact O-N 3.3Å
765	K	44.4	Very low	65.2	Low	172 Å²	172	103.3 Å²	103.3	75%	0.748	53%	0.532	S	S	*	.	S	Bend	trans	-125.5	102.9	175.8	-80.5	-178.1	179.3	173.4	0	112.9	L763	L763-K765 PolarHBondContact O-N 3.04Å
766	R	51.5	Low	65	Low	228 Å²	228	104.3 Å²	104.3	86%	0.86	53%	0.529	S	S	*	.			trans	89.9	134	138.9	-64.5	178.6	175.7	173	-2.9	118.7
767	P	51.4	Low	65.1	Low	124 Å²	124	101.8 Å²	101.8	81%	0.805	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-79.8	156.7	171.2	33.7	-32.7	0	0	0	111.7
768	A	53.4	Low	65.3	Low	52 Å²	52	98.4 Å²	98.4	43%	0.43	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-64.8	135.9	167.1	0	0	0	0	0	110.1	P770	A768-P770 WeakPolarHBondContact O-CD 3.32Å
769	D	64.3	Low	65.8	Low	84 Å²	84	99.1 Å²	99.1	45%	0.449	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-79	119	177.5	176.8	32.1	0	0	0	110.5	E771 T772 Q773	D769-E771 PolarHBondContact O-N 2.98Å; D769-T772 PolarHBondContact O-N 3.36Å; D769-T772 VanDerWaalsContact O-N 3.15Å; D769-T772 PolarHBondContact OD2-OG1 3.05Å; D769-Q773 PolarHBondContact O-N 3.12Å
770	P	68	Low	66.4	Low	60 Å²	60	98 Å²	98	39%	0.39	49%	0.489	S	S	.	.	H	α-helix	trans	-62	-24.1	-177.9	21.3	-31.4	0	0	0	113.5	A768 R774 A817	A768-P770 WeakPolarHBondContact O-CD 3.32Å; P770-R774 PolarHBondContact O-N 3.48Å; P770-A817 WeakPolarHBondContact CB-O 3.26Å
771	E	72.4	Confident	67.2	Low	128 Å²	128	93.8 Å²	93.8	60%	0.598	47%	0.47	S	S	*	.	H	α-helix	trans	-67.8	-38.1	176.6	-168.1	167.7	-177.2	0	0	112	D769 R774 Q775	D769-E771 PolarHBondContact O-N 2.98Å; E771-R774 WeakPolarHBondContact O-CB 3.34Å; E771-R774 PolarHBondContact O-N 2.84Å; E771-Q775 WeakPolarHBondContact O-CG 3.48Å; E771-Q775 PolarHBondContact O-N 3.36Å
772	T	69.7	Low	68.1	Low	40 Å²	40	88.2 Å²	88.2	25%	0.245	45%	0.452	C	S	.	.	H	α-helix	trans	-69.2	-37.4	179.3	-52.9	0	0	0	0	111.8	S692 D769 R774 Q775 R776	S692-T772 WeakPolarHBondContact O-CG2 3.45Å; D769-T772 PolarHBondContact O-N 3.36Å; D769-T772 VanDerWaalsContact O-N 3.15Å; D769-T772 PolarHBondContact OD2-OG1 3.05Å; T772-R774 VanDerWaalsContact C-N 3.31Å; T772-R774 PolarHBondContact O-N 3.11Å; T772-Q775 PolarHBondContact O-N 3.07Å; T772-R776 WeakPolarHBondContact O-CB 3.26Å; T772-R776 PolarHBondContact O-N 3.09Å
773	Q	69.9	Low	69.2	Low	81 Å²	81	83.4 Å²	83.4	38%	0.379	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-38.2	173.7	-69.1	179.9	-11.9	0	0	112.1	D769 R776 A777 A817	D769-Q773 PolarHBondContact O-N 3.12Å; Q773-R776 PolarHBondContact O-N 3.06Å; Q773-A777 PolarHBondContact O-N 3.46Å; Q773-A777 VanDerWaalsContact O-N 3.08Å; Q773-A817 HydrophobicContact CB-CB 3.73Å
774	R	75.8	Confident	70.4	Confident	156 Å²	156	80 Å²	80	59%	0.589	41%	0.407	S	S	*	.	H	α-helix	trans	-66.2	-43.8	175.5	-172.7	176.6	-178.3	175.8	0.9	112.2	P770 E771 T772 R776 A777 V778 L814	P770-R774 PolarHBondContact O-N 3.48Å; E771-R774 WeakPolarHBondContact O-CB 3.34Å; E771-R774 PolarHBondContact O-N 2.84Å; T772-R774 VanDerWaalsContact C-N 3.31Å; T772-R774 PolarHBondContact O-N 3.11Å; R774-R776 VanDerWaalsContact C-N 3.28Å; R774-R776 PolarHBondContact O-N 2.7Å; R774-A777 PolarHBondContact O-N 2.94Å; R774-V778 WeakPolarHBondContact O-CG2 3.49Å; R774-V778 PolarHBondContact O-N 3.39Å; R774-L814 HydrophobicContact CG-CD2 4.01Å
775	Q	77.2	Confident	72.2	Confident	117 Å²	117	79.5 Å²	79.5	55%	0.547	39%	0.392	S	S	.	.	H	α-helix	trans	-61.1	-39.5	176.2	-70.4	-180	6.5	0	0	111.5	E771 T772 V778 Y779	E771-Q775 WeakPolarHBondContact O-CG 3.48Å; E771-Q775 PolarHBondContact O-N 3.36Å; T772-Q775 PolarHBondContact O-N 3.07Å; Q775-V778 PolarHBondContact O-N 2.92Å; Q775-Y779 PolarHBondContact O-N 3.14Å
776	R	76.9	Confident	74	Confident	50 Å²	50	75.8 Å²	75.8	19%	0.189	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-47.1	177	-174.6	169.3	-175.1	-135.6	-3.6	112.7	E691 P695 V697 T772 Q773 R774 V778 Y779 H780	E691-R776 IonicContact OE1-CZ 3.16Å; E691-R776 IonicContact OE1-NH1 2.77Å; E691-R776 PolarHBondContact OE1-NH1 3.48Å; E691-R776 IonicContact OE1-NH2 2.69Å; E691-R776 PolarHBondContact OE1-NH2 3.3Å; P695-R776 HydrophobicContact CB-CB 4.09Å; P695-R776 HydrophobicContact CB-CG 4.03Å; P695-R776 PolarHBondContact O-NE 2.97Å; V697-R776 PolarHBondContact O-NH2 2.84Å; T772-R776 WeakPolarHBondContact O-CB 3.26Å; T772-R776 PolarHBondContact O-N 3.09Å; Q773-R776 PolarHBondContact O-N 3.06Å; R774-R776 VanDerWaalsContact C-N 3.28Å; R774-R776 PolarHBondContact O-N 2.7Å; R776-V778 VanDerWaalsContact C-N 3.27Å; R776-V778 PolarHBondContact O-N 3.35Å; R776-Y779 PolarHBondContact O-N 2.78Å; R776-Y779 VanDerWaalsContact O-N 3.14Å; R776-H780 PolarHBondContact O-CD2 3.31Å; R776-H780 VanDerWaalsContact O-CD2 3.25Å; R776-H780 PolarHBondContact O-N 3.07Å
777	A	79	Confident	75.4	Confident	3 Å²	3	66.4 Å²	66.4	3%	0.025	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-40.4	176.4	0	0	0	0	0	111.8	Q773 R774 L781 Y810 E813	Q773-A777 PolarHBondContact O-N 3.46Å; Q773-A777 VanDerWaalsContact O-N 3.08Å; R774-A777 PolarHBondContact O-N 2.94Å; A777-L781 WeakPolarHBondContact O-CB 3.39Å; A777-L781 PolarHBondContact O-N 3.29Å; A777-L781 VanDerWaalsContact O-N 3.08Å; A777-Y810 HydrophobicContact CB-CD2 3.98Å; A777-Y810 HydrophobicContact CB-CE2 3.88Å; A777-Y810 WeakPolarHBondContact O-CD2 3.45Å; A777-E813 HydrophobicContact CB-CB 3.95Å
778	V	84.1	Confident	76.8	Confident	70 Å²	70	61.5 Å²	61.5	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-65.5	-43.1	176.3	174.4	0	0	0	0	111.3	R774 Q775 R776 L781 A782 Y810	R774-V778 WeakPolarHBondContact O-CG2 3.49Å; R774-V778 PolarHBondContact O-N 3.39Å; Q775-V778 PolarHBondContact O-N 2.92Å; R776-V778 VanDerWaalsContact C-N 3.27Å; R776-V778 PolarHBondContact O-N 3.35Å; V778-L781 PolarHBondContact O-N 3.01Å; V778-A782 WeakPolarHBondContact O-CB 3.37Å; V778-A782 PolarHBondContact O-N 3.41Å; V778-Y810 HydrophobicContact CG2-CE2 3.99Å; V778-Y810 WeakPolarHBondContact CG2-OH 3.37Å
779	Y	82.1	Confident	78	Confident	88 Å²	88	63 Å²	63	35%	0.345	33%	0.327	S	S	.	.	H	α-helix	trans	-64.7	-43.4	179.5	-174	-106.2	0	0	0	112.4	E561 P695 N696 Q775 R776 A782 T783	E561-Y779 PolarHBondContact O-OH 3.05Å; P695-Y779 HydrophobicContact CB-CD1 4.1Å; P695-Y779 HydrophobicContact CB-CG 4.43Å; P695-Y779 HydrophobicContact CG-CD1 4.37Å; N696-Y779 HydrophobicContact CB-CE1 4.28Å; Q775-Y779 PolarHBondContact O-N 3.14Å; R776-Y779 PolarHBondContact O-N 2.78Å; R776-Y779 VanDerWaalsContact O-N 3.14Å; Y779-A782 PolarHBondContact O-N 3.45Å; Y779-T783 HydrophobicContact CD1-CG2 4.37Å; Y779-T783 HydrophobicContact CD2-CG2 4.46Å; Y779-T783 HydrophobicContact CE1-CG2 4.04Å; Y779-T783 HydrophobicContact CE2-CG2 4.1Å; Y779-T783 WeakPolarHBondContact O-CB 3.49Å; Y779-T783 WeakPolarHBondContact O-CG2 3.18Å; Y779-T783 PolarHBondContact O-N 2.85Å; Y779-T783 PolarHBondContact O-OG1 2.81Å
780	H	80.8	Confident	78.8	Confident	16 Å²	16	66.3 Å²	66.3	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-43.1	174.3	-79.1	-56.2	0	0	0	112.3	G562 P695 R776 T783 R784	G562-H780 PolarHBondContact O-CE1 3.02Å; P695-H780 PolarHBondContact O-NE2 3.33Å; R776-H780 PolarHBondContact O-CD2 3.31Å; R776-H780 VanDerWaalsContact O-CD2 3.25Å; R776-H780 PolarHBondContact O-N 3.07Å; H780-T783 WeakPolarHBondContact CA-OG1 3.47Å; H780-T783 PolarHBondContact O-OG1 2.93Å; H780-T783 VanDerWaalsContact O-OG1 3.05Å; H780-R784 WeakPolarHBondContact O-CB 3.5Å; H780-R784 WeakPolarHBondContact O-CG 3.41Å; H780-R784 PolarHBondContact O-N 3Å
781	L	84.3	Confident	79.4	Confident	41 Å²	41	66.6 Å²	66.6	22%	0.215	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-48.6	176.2	-178.3	65.8	0	0	0	111	A777 V778 T783 R784 L785 L806 Y810	A777-L781 WeakPolarHBondContact O-CB 3.39Å; A777-L781 PolarHBondContact O-N 3.29Å; A777-L781 VanDerWaalsContact O-N 3.08Å; V778-L781 PolarHBondContact O-N 3.01Å; L781-T783 PolarHBondContact O-N 3.17Å; L781-R784 PolarHBondContact O-N 2.85Å; L781-L785 HydrophobicContact CD1-CD1 4.09Å; L781-L785 HydrophobicContact CD1-CG 4.23Å; L781-L785 HydrophobicContact CG-CD1 3.89Å; L781-L785 HydrophobicContact CG-CG 4.4Å; L781-L785 WeakPolarHBondContact O-CB 3.26Å; L781-L785 WeakPolarHBondContact O-CG 3.43Å; L781-L785 PolarHBondContact O-N 3.44Å; L781-L806 HydrophobicContact CD1-CB 4.36Å; L781-Y810 HydrophobicContact CB-CD2 3.98Å; L781-Y810 HydrophobicContact CB-CG 4.43Å; L781-Y810 HydrophobicContact CD2-CD1 3.97Å; L781-Y810 HydrophobicContact CD2-CD2 3.92Å; L781-Y810 HydrophobicContact CD2-CE1 4.26Å; L781-Y810 HydrophobicContact CD2-CE2 4.23Å; L781-Y810 HydrophobicContact CD2-CG 3.78Å; L781-Y810 HydrophobicContact CG-CD2 4.48Å; L781-Y810 HydrophobicContact CG-CG 4.5Å
782	A	83	Confident	79.7	Confident	43 Å²	43	62.7 Å²	62.7	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-45.1	-179	0	0	0	0	0	112.2	V778 Y779 L785 L786	V778-A782 WeakPolarHBondContact O-CB 3.37Å; V778-A782 PolarHBondContact O-N 3.41Å; Y779-A782 PolarHBondContact O-N 3.45Å; A782-L785 PolarHBondContact O-N 2.98Å; A782-L786 WeakPolarHBondContact O-CB 3.41Å; A782-L786 WeakPolarHBondContact O-CG 3.31Å; A782-L786 PolarHBondContact O-N 3.47Å
783	T	81.3	Confident	79.9	Confident	13 Å²	13	70.4 Å²	70.4	8%	0.08	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-42.1	-179.7	50.1	0	0	0	0	112.3	Y779 H780 L781 L785 L786 Q787	Y779-T783 HydrophobicContact CD1-CG2 4.37Å; Y779-T783 HydrophobicContact CD2-CG2 4.46Å; Y779-T783 HydrophobicContact CE1-CG2 4.04Å; Y779-T783 HydrophobicContact CE2-CG2 4.1Å; Y779-T783 WeakPolarHBondContact O-CB 3.49Å; Y779-T783 WeakPolarHBondContact O-CG2 3.18Å; Y779-T783 PolarHBondContact O-N 2.85Å; Y779-T783 PolarHBondContact O-OG1 2.81Å; H780-T783 WeakPolarHBondContact CA-OG1 3.47Å; H780-T783 PolarHBondContact O-OG1 2.93Å; H780-T783 VanDerWaalsContact O-OG1 3.05Å; L781-T783 PolarHBondContact O-N 3.17Å; T783-L785 PolarHBondContact O-N 3.45Å; T783-L786 PolarHBondContact O-N 3.31Å; T783-Q787 WeakPolarHBondContact O-CB 3.44Å; T783-Q787 VanDerWaalsContact O-CG 3.23Å; T783-Q787 WeakPolarHBondContact O-CG 3.41Å; T783-Q787 PolarHBondContact O-N 3.07Å
784	R	82.1	Confident	80.2	Confident	31 Å²	31	70.7 Å²	70.7	12%	0.117	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-35.3	174.6	-69.1	-174.6	-169.4	168.6	9.4	112.9	H780 L781 Q787 T788 L806	H780-R784 WeakPolarHBondContact O-CB 3.5Å; H780-R784 WeakPolarHBondContact O-CG 3.41Å; H780-R784 PolarHBondContact O-N 3Å; L781-R784 PolarHBondContact O-N 2.85Å; R784-Q787 PolarHBondContact O-N 2.86Å; R784-T788 PolarHBondContact O-N 3.22Å; R784-T788 PolarHBondContact O-OG1 3.37Å; R784-L806 HydrophobicContact CB-CD1 4.37Å; R784-L806 HydrophobicContact CB-CD2 3.81Å; R784-L806 HydrophobicContact CG-CD2 4.26Å
785	L	84.9	Confident	80.6	Confident	72 Å²	72	66.8 Å²	66.8	38%	0.377	34%	0.337	S	S	.	.	H	α-helix	trans	-66.5	-42	173.3	-73.2	174.5	0	0	0	111.8	L781 A782 T783 T788 A789 L803 L806	L781-L785 HydrophobicContact CD1-CD1 4.09Å; L781-L785 HydrophobicContact CD1-CG 4.23Å; L781-L785 HydrophobicContact CG-CD1 3.89Å; L781-L785 HydrophobicContact CG-CG 4.4Å; L781-L785 WeakPolarHBondContact O-CB 3.26Å; L781-L785 WeakPolarHBondContact O-CG 3.43Å; L781-L785 PolarHBondContact O-N 3.44Å; A782-L785 PolarHBondContact O-N 2.98Å; T783-L785 PolarHBondContact O-N 3.45Å; L785-T788 VanDerWaalsContact CA-OG1 3.32Å; L785-T788 WeakPolarHBondContact CA-OG1 3.28Å; L785-T788 PolarHBondContact O-N 3.03Å; L785-T788 PolarHBondContact O-OG1 3.44Å; L785-A789 WeakPolarHBondContact O-CB 3.3Å; L785-A789 PolarHBondContact O-N 3.26Å; L785-L803 HydrophobicContact CD2-CD2 3.55Å; L785-L806 HydrophobicContact CD2-CD1 4.27Å
786	L	82.8	Confident	80.9	Confident	95 Å²	95	66.5 Å²	66.5	50%	0.497	35%	0.345	S	S	.	.	H	α-helix	trans	-62.2	-42.6	173.5	-84.1	157.7	0	0	0	111.8	A782 T783 A789 R790	A782-L786 WeakPolarHBondContact O-CB 3.41Å; A782-L786 WeakPolarHBondContact O-CG 3.31Å; A782-L786 PolarHBondContact O-N 3.47Å; T783-L786 PolarHBondContact O-N 3.31Å; L786-A789 PolarHBondContact O-N 2.99Å; L786-R790 WeakPolarHBondContact O-CG 3.33Å; L786-R790 PolarHBondContact O-N 3.48Å
787	Q	79.3	Confident	81.1	Confident	30 Å²	30	71.3 Å²	71.3	14%	0.14	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-44.4	177.4	-75	162.4	5.8	0	0	112	T533 Y558 S560 T783 R784 A789 R790 N791	T533-Q787 HydrophobicContact CG2-CG 4.33Å; Y558-Q787 PolarHBondContact OH-OE1 3.05Å; S560-Q787 PolarHBondContact OG-NE2 3.28Å; T783-Q787 WeakPolarHBondContact O-CB 3.44Å; T783-Q787 VanDerWaalsContact O-CG 3.23Å; T783-Q787 WeakPolarHBondContact O-CG 3.41Å; T783-Q787 PolarHBondContact O-N 3.07Å; R784-Q787 PolarHBondContact O-N 2.86Å; Q787-A789 VanDerWaalsContact C-N 3.32Å; Q787-A789 PolarHBondContact O-N 3.31Å; Q787-R790 PolarHBondContact O-N 2.95Å; Q787-N791 PolarHBondContact O-N 2.83Å
788	T	81.2	Confident	81.3	Confident	21 Å²	21	73.6 Å²	73.6	13%	0.129	39%	0.386	C	S	.	.	H	α-helix	trans	-64.2	-38.5	174.8	34.4	0	0	0	0	112.3	R784 L785 R790 S792 Y802	R784-T788 PolarHBondContact O-N 3.22Å; R784-T788 PolarHBondContact O-OG1 3.37Å; L785-T788 VanDerWaalsContact CA-OG1 3.32Å; L785-T788 WeakPolarHBondContact CA-OG1 3.28Å; L785-T788 PolarHBondContact O-N 3.03Å; L785-T788 PolarHBondContact O-OG1 3.44Å; T788-R790 VanDerWaalsContact C-N 3.32Å; T788-R790 PolarHBondContact O-N 2.82Å; T788-S792 WeakPolarHBondContact O-CB 3.43Å; T788-S792 PolarHBondContact O-N 2.7Å; T788-S792 VanDerWaalsContact O-N 3.11Å; T788-Y802 HydrophobicContact CG2-CD1 3.7Å; T788-Y802 HydrophobicContact CG2-CE1 3.18Å
789	A	79.7	Confident	81.4	Confident	85 Å²	85	72.6 Å²	72.6	70%	0.702	38%	0.378	S	S	*	.	H	α-helix	trans	-63.4	-36.9	175.6	0	0	0	0	0	112.8	L785 L786 Q787	L785-A789 WeakPolarHBondContact O-CB 3.3Å; L785-A789 PolarHBondContact O-N 3.26Å; L786-A789 PolarHBondContact O-N 2.99Å; Q787-A789 VanDerWaalsContact C-N 3.32Å; Q787-A789 PolarHBondContact O-N 3.31Å
790	R	81.2	Confident	81.4	Confident	152 Å²	152	76.5 Å²	76.5	57%	0.574	39%	0.392	S	S	*	.	H	α-helix	trans	-81.4	-42.6	-178.4	-71.6	-179.4	-179.2	175.2	3.5	113.8	D532 L786 Q787 T788	D532-R790 IonicContact OD2-NH1 3.84Å; L786-R790 WeakPolarHBondContact O-CG 3.33Å; L786-R790 PolarHBondContact O-N 3.48Å; Q787-R790 PolarHBondContact O-N 2.95Å; T788-R790 VanDerWaalsContact C-N 3.32Å; T788-R790 PolarHBondContact O-N 2.82Å
791	N	80.4	Confident	81.7	Confident	67 Å²	67	82.1 Å²	82.1	36%	0.358	42%	0.42	S	S	.	.	H	α-helix	trans	-119.4	1.1	-163.2	-60.9	-26	0	0	0	114.2	Q787 R793	Q787-N791 PolarHBondContact O-N 2.83Å; N791-R793 PolarHBondContact O-N 2.85Å
792	S	78	Confident	81.7	Confident	46 Å²	46	84.6 Å²	84.6	32%	0.322	43%	0.427	S	S	.	.			trans	-65.6	122.7	-178.3	174.1	0	0	0	0	112.2	T788 L794	T788-S792 WeakPolarHBondContact O-CB 3.43Å; T788-S792 PolarHBondContact O-N 2.7Å; T788-S792 VanDerWaalsContact O-N 3.11Å; S792-L794 PolarHBondContact OG-N 3.02Å
793	R	73.4	Confident	81.9	Confident	201 Å²	201	85.8 Å²	85.8	76%	0.758	43%	0.427	S	S	*	.			trans	-105.4	7.4	165.3	-62.7	-179.2	179.7	169.7	2.2	113	E529 N791	E529-R793 IonicContact OE1-CZ 3.97Å; E529-R793 IonicContact OE1-NH1 3.88Å; E529-R793 PolarHBondContact OE1-NH1 3.35Å; E529-R793 IonicContact OE2-NH1 3.82Å; N791-R793 PolarHBondContact O-N 2.85Å
794	L	77.7	Confident	82.1	Confident	87 Å²	87	91.2 Å²	91.2	46%	0.455	45%	0.45	S	S	.	.			trans	-69.2	145.2	-178.7	-65.6	172.7	0	0	0	110.9	S792 L799 Y802	S792-L794 PolarHBondContact OG-N 3.02Å; L794-L799 HydrophobicContact CB-CB 4.18Å; L794-L799 HydrophobicContact CD1-CD1 4.45Å; L794-Y802 HydrophobicContact CD1-CG 4.5Å
795	D	83.8	Confident	82.3	Confident	75 Å²	75	91.2 Å²	91.2	40%	0.401	46%	0.459	S	S	.	.			trans	-63.8	158.6	168.3	65.4	-83.3	0	0	0	110.9	E797 S798 L799	D795-E797 PolarHBondContact O-N 3.18Å; D795-E797 VanDerWaalsContact O-N 3.12Å; D795-E797 WeakPolarHBondContact OD2-CB 3.23Å; D795-E797 PolarHBondContact OD2-N 3.37Å; D795-E797 VanDerWaalsContact OD2-N 3.11Å; D795-S798 VanDerWaalsContact CG-OG 3.3Å; D795-S798 PolarHBondContact O-N 2.84Å; D795-S798 WeakPolarHBondContact OD1-CB 3.31Å; D795-S798 PolarHBondContact OD1-OG 2.92Å; D795-S798 PolarHBondContact OD2-N 3.43Å; D795-S798 PolarHBondContact OD2-OG 3.01Å; D795-L799 WeakPolarHBondContact O-CB 3.44Å; D795-L799 PolarHBondContact O-N 3.45Å
796	P	82.7	Confident	82.3	Confident	110 Å²	110	88 Å²	88	71%	0.714	44%	0.443	S	S	*	.	H	α-helix	trans	-57.9	-29	-174.9	-26.2	35	0	0	0	114.8	R800	P796-R800 WeakPolarHBondContact O-CB 3.31Å; P796-R800 PolarHBondContact O-N 3.43Å
797	E	82	Confident	82.4	Confident	152 Å²	152	89.6 Å²	89.6	71%	0.71	45%	0.445	S	S	*	.	H	α-helix	trans	-78.7	-47.2	-179.3	-61.8	-171.1	164.3	0	0	111.1	D795 L799 R800 M801	D795-E797 PolarHBondContact O-N 3.18Å; D795-E797 VanDerWaalsContact O-N 3.12Å; D795-E797 WeakPolarHBondContact OD2-CB 3.23Å; D795-E797 PolarHBondContact OD2-N 3.37Å; D795-E797 VanDerWaalsContact OD2-N 3.11Å; E797-L799 VanDerWaalsContact C-N 3.33Å; E797-L799 PolarHBondContact O-N 3.15Å; E797-R800 WeakPolarHBondContact O-CB 3.35Å; E797-R800 PolarHBondContact O-N 3.38Å; E797-M801 PolarHBondContact O-N 3.24Å
798	S	83.2	Confident	82.7	Confident	51 Å²	51	95.5 Å²	95.5	36%	0.357	47%	0.471	S	S	.	.	H	α-helix	trans	-60.9	-40.8	173.7	-63.7	0	0	0	0	112	D795 R800 M801 Y802	D795-S798 VanDerWaalsContact CG-OG 3.3Å; D795-S798 PolarHBondContact O-N 2.84Å; D795-S798 WeakPolarHBondContact OD1-CB 3.31Å; D795-S798 PolarHBondContact OD1-OG 2.92Å; D795-S798 PolarHBondContact OD2-N 3.43Å; D795-S798 PolarHBondContact OD2-OG 3.01Å; S798-R800 PolarHBondContact O-N 3.33Å; S798-M801 PolarHBondContact O-N 3.42Å; S798-Y802 WeakPolarHBondContact O-CB 3.42Å; S798-Y802 PolarHBondContact O-N 3.15Å
799	L	85	Confident	82.8	Confident	49 Å²	49	98.9 Å²	98.9	26%	0.257	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-42.7	175.6	-176.9	63	0	0	0	111.3	L794 D795 E797 M801 Y802 L803	L794-L799 HydrophobicContact CB-CB 4.18Å; L794-L799 HydrophobicContact CD1-CD1 4.45Å; D795-L799 WeakPolarHBondContact O-CB 3.44Å; D795-L799 PolarHBondContact O-N 3.45Å; E797-L799 VanDerWaalsContact C-N 3.33Å; E797-L799 PolarHBondContact O-N 3.15Å; L799-M801 VanDerWaalsContact C-N 3.33Å; L799-M801 PolarHBondContact O-N 3.37Å; L799-Y802 PolarHBondContact O-N 2.97Å; L799-L803 HydrophobicContact CD1-CG 4.41Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 HydrophobicContact CG-CG 4.48Å; L799-L803 WeakPolarHBondContact O-CB 3.4Å; L799-L803 VanDerWaalsContact O-CG 3.27Å; L799-L803 WeakPolarHBondContact O-CG 3.32Å; L799-L803 PolarHBondContact O-N 3.21Å
800	R	83.7	Confident	83	Confident	169 Å²	169	97.3 Å²	97.3	64%	0.638	46%	0.461	S	S	*	.	H	α-helix	trans	-62.2	-40.4	175.9	179.8	-177.7	-83.4	162	-6.1	111.7	P796 E797 S798 K804	P796-R800 WeakPolarHBondContact O-CB 3.31Å; P796-R800 PolarHBondContact O-N 3.43Å; E797-R800 WeakPolarHBondContact O-CB 3.35Å; E797-R800 PolarHBondContact O-N 3.38Å; S798-R800 PolarHBondContact O-N 3.33Å; R800-K804 WeakPolarHBondContact O-CG 3.49Å; R800-K804 PolarHBondContact O-N 2.97Å
801	M	85.6	Confident	83.1	Confident	134 Å²	134	94.2 Å²	94.2	66%	0.66	45%	0.453	S	S	*	.	H	α-helix	trans	-65.4	-43.5	175.8	-74.2	-66.5	-78.1	0	0	111.8	E797 S798 L799 K804 G805	E797-M801 PolarHBondContact O-N 3.24Å; S798-M801 PolarHBondContact O-N 3.42Å; L799-M801 VanDerWaalsContact C-N 3.33Å; L799-M801 PolarHBondContact O-N 3.37Å; M801-K804 PolarHBondContact O-N 2.92Å; M801-G805 PolarHBondContact O-N 3.4Å
802	Y	84.8	Confident	83.2	Confident	94 Å²	94	93.5 Å²	93.5	37%	0.369	46%	0.457	S	S	.	.	H	α-helix	trans	-60.6	-46.8	175.5	179.1	-94.6	0	0	0	112.2	T788 L794 S798 L799 K804 G805 L806	T788-Y802 HydrophobicContact CG2-CD1 3.7Å; T788-Y802 HydrophobicContact CG2-CE1 3.18Å; L794-Y802 HydrophobicContact CD1-CG 4.5Å; S798-Y802 WeakPolarHBondContact O-CB 3.42Å; S798-Y802 PolarHBondContact O-N 3.15Å; L799-Y802 PolarHBondContact O-N 2.97Å; Y802-K804 VanDerWaalsContact C-N 3.33Å; Y802-K804 PolarHBondContact O-N 2.85Å; Y802-G805 CarbonylContact O-C 3.57Å; Y802-G805 WeakPolarHBondContact O-CA 3.19Å; Y802-G805 PolarHBondContact O-N 3.1Å; Y802-L806 HydrophobicContact CD1-CD1 3.8Å; Y802-L806 HydrophobicContact CD1-CG 4.29Å; Y802-L806 HydrophobicContact CE1-CD1 3.2Å; Y802-L806 HydrophobicContact CE1-CD2 4.49Å; Y802-L806 HydrophobicContact CE1-CG 3.75Å; Y802-L806 PolarHBondContact O-N 2.84Å
803	L	86.6	Confident	83.1	Confident	68 Å²	68	94.2 Å²	94.2	36%	0.356	46%	0.455	S	S	.	.	H	α-helix	trans	-62.9	-37.3	177.2	-69.6	172.6	0	0	0	112.4	L785 L799 G805 L806 K807	L785-L803 HydrophobicContact CD2-CD2 3.55Å; L799-L803 HydrophobicContact CD1-CG 4.41Å; L799-L803 HydrophobicContact CG-CD1 4.15Å; L799-L803 HydrophobicContact CG-CG 4.48Å; L799-L803 WeakPolarHBondContact O-CB 3.4Å; L799-L803 VanDerWaalsContact O-CG 3.27Å; L799-L803 WeakPolarHBondContact O-CG 3.32Å; L799-L803 PolarHBondContact O-N 3.21Å; L803-G805 VanDerWaalsContact C-N 3.33Å; L803-L806 HydrophobicContact CD2-CD1 4.21Å; L803-L806 PolarHBondContact O-N 2.84Å; L803-K807 PolarHBondContact O-N 2.85Å
804	K	86.2	Confident	83.2	Confident	127 Å²	127	87 Å²	87	55%	0.552	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-38.7	170.9	-77.9	-179.7	178.7	-179.2	0	111.9	R800 M801 Y802 K807 K808	R800-K804 WeakPolarHBondContact O-CG 3.49Å; R800-K804 PolarHBondContact O-N 2.97Å; M801-K804 PolarHBondContact O-N 2.92Å; Y802-K804 VanDerWaalsContact C-N 3.33Å; Y802-K804 PolarHBondContact O-N 2.85Å; K804-K807 PolarHBondContact O-N 2.83Å; K804-K808 PolarHBondContact O-N 3Å; K804-K808 VanDerWaalsContact O-N 3.11Å
805	G	85.8	Confident	82.8	Confident	31 Å²	31	90.1 Å²	90.1	32%	0.32	44%	0.443	S	S	.	.	H	α-helix	trans	-62.6	-46.5	174.3	0	0	0	0	0	112.5	M801 Y802 L803 K807 K808 Q809	M801-G805 PolarHBondContact O-N 3.4Å; Y802-G805 CarbonylContact O-C 3.57Å; Y802-G805 WeakPolarHBondContact O-CA 3.19Å; Y802-G805 PolarHBondContact O-N 3.1Å; L803-G805 VanDerWaalsContact C-N 3.33Å; G805-K807 VanDerWaalsContact C-N 3.33Å; G805-K807 PolarHBondContact O-N 2.91Å; G805-K808 PolarHBondContact O-N 2.86Å; G805-Q809 PolarHBondContact O-N 2.97Å
806	L	84.8	Confident	81.9	Confident	5 Å²	5	91.9 Å²	91.9	3%	0.026	46%	0.457	C	S	.	.	H	α-helix	trans	-57.3	-44.8	174	-84.6	173.1	0	0	0	112.2	L781 R784 L785 Y802 L803 K808 Q809 Y810	L781-L806 HydrophobicContact CD1-CB 4.36Å; R784-L806 HydrophobicContact CB-CD1 4.37Å; R784-L806 HydrophobicContact CB-CD2 3.81Å; R784-L806 HydrophobicContact CG-CD2 4.26Å; L785-L806 HydrophobicContact CD2-CD1 4.27Å; Y802-L806 HydrophobicContact CD1-CD1 3.8Å; Y802-L806 HydrophobicContact CD1-CG 4.29Å; Y802-L806 HydrophobicContact CE1-CD1 3.2Å; Y802-L806 HydrophobicContact CE1-CD2 4.49Å; Y802-L806 HydrophobicContact CE1-CG 3.75Å; Y802-L806 PolarHBondContact O-N 2.84Å; L803-L806 HydrophobicContact CD2-CD1 4.21Å; L803-L806 PolarHBondContact O-N 2.84Å; L806-K808 VanDerWaalsContact C-N 3.34Å; L806-K808 PolarHBondContact O-N 3.38Å; L806-Q809 PolarHBondContact O-N 2.76Å; L806-Y810 PolarHBondContact O-N 2.91Å
807	K	86	Confident	80.6	Confident	128 Å²	128	87.1 Å²	87.1	56%	0.557	43%	0.427	S	S	*	.	H	α-helix	trans	-58.7	-45.8	176.2	179.7	176.5	170.7	177	0	111.5	L803 K804 G805 Q809 Y810 E811	L803-K807 PolarHBondContact O-N 2.85Å; K804-K807 PolarHBondContact O-N 2.83Å; G805-K807 VanDerWaalsContact C-N 3.33Å; G805-K807 PolarHBondContact O-N 2.91Å; K807-Q809 PolarHBondContact O-N 2.94Å; K807-Y810 PolarHBondContact O-N 3.03Å; K807-E811 WeakPolarHBondContact CE-OE1 3.29Å; K807-E811 IonicContact NZ-OE1 3.82Å; K807-E811 WeakPolarHBondContact O-CG 3.43Å; K807-E811 PolarHBondContact O-N 2.76Å
808	K	85.8	Confident	78.9	Confident	154 Å²	154	82.9 Å²	82.9	67%	0.67	42%	0.418	S	S	*	.	H	α-helix	trans	-62.6	-40.3	176.9	-76.7	-175.1	175.5	-173.9	0	112.6	K804 G805 L806 E811 A812	K804-K808 PolarHBondContact O-N 3Å; K804-K808 VanDerWaalsContact O-N 3.11Å; G805-K808 PolarHBondContact O-N 2.86Å; L806-K808 VanDerWaalsContact C-N 3.34Å; L806-K808 PolarHBondContact O-N 3.38Å; K808-E811 PolarHBondContact O-N 2.91Å; K808-A812 WeakPolarHBondContact O-CB 3.39Å; K808-A812 PolarHBondContact O-N 3.04Å
809	Q	82.3	Confident	77.1	Confident	92 Å²	92	85.4 Å²	85.4	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-63.6	-45.3	176.5	-76.2	178.5	-14.9	0	0	111.5	G805 L806 K807 E811 A812 E813	G805-Q809 PolarHBondContact O-N 2.97Å; L806-Q809 PolarHBondContact O-N 2.76Å; K807-Q809 PolarHBondContact O-N 2.94Å; Q809-E811 VanDerWaalsContact C-N 3.35Å; Q809-E811 PolarHBondContact O-N 2.86Å; Q809-A812 WeakPolarHBondContact O-CB 3.29Å; Q809-A812 PolarHBondContact O-N 3.29Å; Q809-E813 WeakPolarHBondContact O-CG 3.48Å; Q809-E813 PolarHBondContact O-N 3.44Å
810	Y	84.6	Confident	74.9	Confident	52 Å²	52	87.6 Å²	87.6	20%	0.204	46%	0.458	C	S	.	.	H	α-helix	trans	-60.6	-42.7	175.3	174.3	-108.6	0	0	0	112.6	A777 V778 L781 L806 K807 A812 E813 L814	A777-Y810 HydrophobicContact CB-CD2 3.98Å; A777-Y810 HydrophobicContact CB-CE2 3.88Å; A777-Y810 WeakPolarHBondContact O-CD2 3.45Å; V778-Y810 HydrophobicContact CG2-CE2 3.99Å; V778-Y810 WeakPolarHBondContact CG2-OH 3.37Å; L781-Y810 HydrophobicContact CB-CD2 3.98Å; L781-Y810 HydrophobicContact CB-CG 4.43Å; L781-Y810 HydrophobicContact CD2-CD1 3.97Å; L781-Y810 HydrophobicContact CD2-CD2 3.92Å; L781-Y810 HydrophobicContact CD2-CE1 4.26Å; L781-Y810 HydrophobicContact CD2-CE2 4.23Å; L781-Y810 HydrophobicContact CD2-CG 3.78Å; L781-Y810 HydrophobicContact CG-CD2 4.48Å; L781-Y810 HydrophobicContact CG-CG 4.5Å; L806-Y810 PolarHBondContact O-N 2.91Å; K807-Y810 PolarHBondContact O-N 3.03Å; Y810-A812 VanDerWaalsContact C-N 3.32Å; Y810-A812 PolarHBondContact O-N 3.37Å; Y810-E813 PolarHBondContact O-N 3.48Å; Y810-L814 HydrophobicContact CD1-CD1 3.88Å; Y810-L814 HydrophobicContact CE1-CD1 3.29Å; Y810-L814 HydrophobicContact CE1-CG 4.45Å; Y810-L814 HydrophobicContact CE2-CD1 3.99Å; Y810-L814 HydrophobicContact CE2-CG 4.38Å; Y810-L814 HydrophobicContact CG-CD1 4.46Å; Y810-L814 WeakPolarHBondContact O-CB 3.37Å; Y810-L814 PolarHBondContact O-N 3.46Å
811	E	83.8	Confident	72.5	Confident	87 Å²	87	90.5 Å²	90.5	41%	0.407	47%	0.469	S	S	.	.	H	α-helix	trans	-62.7	-37.7	175.2	-74.1	171.7	175	0	0	112	K807 K808 Q809 Q815	K807-E811 WeakPolarHBondContact CE-OE1 3.29Å; K807-E811 IonicContact NZ-OE1 3.82Å; K807-E811 WeakPolarHBondContact O-CG 3.43Å; K807-E811 PolarHBondContact O-N 2.76Å; K808-E811 PolarHBondContact O-N 2.91Å; Q809-E811 VanDerWaalsContact C-N 3.35Å; Q809-E811 PolarHBondContact O-N 2.86Å; E811-Q815 WeakPolarHBondContact O-CG 3.47Å; E811-Q815 PolarHBondContact O-N 3.08Å; E811-Q815 VanDerWaalsContact O-N 3.14Å
812	A	80.7	Confident	70	Confident	52 Å²	52	89.2 Å²	89.2	43%	0.43	47%	0.471	S	S	.	.	H	α-helix	trans	-67.9	-44.7	175.6	0	0	0	0	0	112.4	K808 Q809 Y810 L814 Q815 T816	K808-A812 WeakPolarHBondContact O-CB 3.39Å; K808-A812 PolarHBondContact O-N 3.04Å; Q809-A812 WeakPolarHBondContact O-CB 3.29Å; Q809-A812 PolarHBondContact O-N 3.29Å; Y810-A812 VanDerWaalsContact C-N 3.32Å; Y810-A812 PolarHBondContact O-N 3.37Å; A812-L814 VanDerWaalsContact C-N 3.28Å; A812-L814 PolarHBondContact O-N 2.97Å; A812-Q815 PolarHBondContact O-N 2.93Å; A812-Q815 VanDerWaalsContact O-N 3.15Å; A812-T816 PolarHBondContact O-N 3.38Å; A812-T816 PolarHBondContact O-OG1 3.41Å
813	E	76.6	Confident	67.5	Low	60 Å²	60	90.8 Å²	90.8	28%	0.28	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-35.2	176.2	-72	173.2	-167.6	0	0	112	A777 Q809 Y810 T816 A817	A777-E813 HydrophobicContact CB-CB 3.95Å; Q809-E813 WeakPolarHBondContact O-CG 3.48Å; Q809-E813 PolarHBondContact O-N 3.44Å; Y810-E813 PolarHBondContact O-N 3.48Å; E813-T816 VanDerWaalsContact C-OG1 3.31Å; E813-T816 WeakPolarHBondContact CA-OG1 3.38Å; E813-T816 PolarHBondContact O-OG1 3.13Å; E813-A817 PolarHBondContact O-N 3.32Å
814	L	76.3	Confident	64.9	Low	51 Å²	51	94.1 Å²	94.1	27%	0.267	51%	0.509	S	S	.	.	H	α-helix	trans	-67.5	-37.6	173.2	-97.6	163.1	0	0	0	113.2	R774 Y810 A812 T816 A817 A818	R774-L814 HydrophobicContact CG-CD2 4.01Å; Y810-L814 HydrophobicContact CD1-CD1 3.88Å; Y810-L814 HydrophobicContact CE1-CD1 3.29Å; Y810-L814 HydrophobicContact CE1-CG 4.45Å; Y810-L814 HydrophobicContact CE2-CD1 3.99Å; Y810-L814 HydrophobicContact CE2-CG 4.38Å; Y810-L814 HydrophobicContact CG-CD1 4.46Å; Y810-L814 WeakPolarHBondContact O-CB 3.37Å; Y810-L814 PolarHBondContact O-N 3.46Å; A812-L814 VanDerWaalsContact C-N 3.28Å; A812-L814 PolarHBondContact O-N 2.97Å; L814-T816 VanDerWaalsContact C-N 3.34Å; L814-A817 PolarHBondContact O-N 3.36Å; L814-A818 PolarHBondContact O-N 3.09Å
815	Q	69.6	Low	62.5	Low	152 Å²	152	94.2 Å²	94.2	71%	0.71	52%	0.52	S	S	*	.	H	α-helix	trans	-67.8	-35.7	178.6	-75.8	175	8	0	0	111.8	E811 A812 A817 A818	E811-Q815 WeakPolarHBondContact O-CG 3.47Å; E811-Q815 PolarHBondContact O-N 3.08Å; E811-Q815 VanDerWaalsContact O-N 3.14Å; A812-Q815 PolarHBondContact O-N 2.93Å; A812-Q815 VanDerWaalsContact O-N 3.15Å; Q815-A817 PolarHBondContact O-N 3.49Å; Q815-A818 PolarHBondContact O-N 3.24Å
816	T	63.9	Low	60.1	Low	111 Å²	111	101.3 Å²	101.3	68%	0.681	55%	0.545	S	S	*	.	H	α-helix	trans	-66.9	-21.7	172.6	41.6	0	0	0	0	113.7	A812 E813 L814	A812-T816 PolarHBondContact O-N 3.38Å; A812-T816 PolarHBondContact O-OG1 3.41Å; E813-T816 VanDerWaalsContact C-OG1 3.31Å; E813-T816 WeakPolarHBondContact CA-OG1 3.38Å; E813-T816 PolarHBondContact O-OG1 3.13Å; L814-T816 VanDerWaalsContact C-N 3.34Å
817	A	56	Low	57.8	Low	11 Å²	11	110.4 Å²	110.4	9%	0.091	59%	0.587	C	S	.	*	T	Hydrogen-bonded Turn	trans	-90.3	-5.5	178.5	0	0	0	0	0	114.1	P770 Q773 E813 L814 Q815	P770-A817 WeakPolarHBondContact CB-O 3.26Å; Q773-A817 HydrophobicContact CB-CB 3.73Å; E813-A817 PolarHBondContact O-N 3.32Å; L814-A817 PolarHBondContact O-N 3.36Å; Q815-A817 PolarHBondContact O-N 3.49Å
818	A	46.1	Very low	55.2	Low	63 Å²	63	117.1 Å²	117.1	52%	0.521	62%	0.621	S	S	.	*	S	Bend	trans	-74.7	132	177.1	0	0	0	0	0	110.1	L814 Q815 A820	L814-A818 PolarHBondContact O-N 3.09Å; Q815-A818 PolarHBondContact O-N 3.24Å; A818-A820 PolarHBondContact O-N 3.12Å
819	P	44.5	Very low	53.7	Low	104 Å²	104	115.3 Å²	115.3	68%	0.675	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-58.7	136.4	175.9	23.7	-31.5	0	0	0	109.5	R821	P819-R821 PolarHBondContact O-N 2.75Å
820	A	38.8	Very low	52.2	Low	95 Å²	95	116.5 Å²	116.5	79%	0.785	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-50.2	120	170.2	0	0	0	0	0	107.9	A818	A818-A820 PolarHBondContact O-N 3.12Å
821	R	33.5	Very low	50.4	Low	229 Å²	229	120.1 Å²	120.1	86%	0.864	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-53.5	131.1	173.9	-74.5	-178.5	177.2	179	-1.9	107.1	P819 T823	P819-R821 PolarHBondContact O-N 2.75Å; R821-T823 PolarHBondContact O-N 3.31Å
822	P	33.4	Very low	48.5	Very low	107 Å²	107	122 Å²	122	70%	0.695	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-55.1	121.8	167.8	23.4	-29.3	0	0	0	106.4	D824	P822-D824 VanDerWaalsContact C-N 3.32Å; P822-D824 PolarHBondContact O-N 2.91Å
823	T	32.3	Very low	46.4	Very low	127 Å²	127	126.4 Å²	126.4	78%	0.779	68%	0.681	S	S	*	*			trans	-60.1	105.4	163.7	43	0	0	0	0	105.3	R821 T825	R821-T823 PolarHBondContact O-N 3.31Å; T823-T825 VanDerWaalsContact C-N 3.32Å; T823-T825 PolarHBondContact O-N 3.49Å
824	D	32.1	Very low	44.4	Very low	138 Å²	138	130.8 Å²	130.8	74%	0.738	71%	0.708	S	S	*	*			trans	-54.4	103.5	165.2	-69.8	-39.8	0	0	0	106.3	P822 E826	P822-D824 VanDerWaalsContact C-N 3.32Å; P822-D824 PolarHBondContact O-N 2.91Å; D824-E826 PolarHBondContact O-N 3.27Å
825	T	35.9	Very low	42.1	Very low	130 Å²	130	136.5 Å²	136.5	80%	0.798	74%	0.739	S	S	*	*			trans	-68.4	89.1	156.2	43	0	0	0	0	105.2	T823 E827	T823-T825 VanDerWaalsContact C-N 3.32Å; T823-T825 PolarHBondContact O-N 3.49Å; T825-E827 PolarHBondContact O-N 3.01Å
826	E	34.8	Very low	40	Very low	180 Å²	180	135.3 Å²	135.3	84%	0.841	74%	0.741	S	S	*	*			trans	-57.9	118.1	162.1	-74.7	-179.6	154.1	0	0	107.5	D824 E828	D824-E826 PolarHBondContact O-N 3.27Å; E826-E828 PolarHBondContact O-N 3.2Å
827	E	36.8	Very low	38	Very low	195 Å²	195	137.3 Å²	137.3	91%	0.911	75%	0.746	S	S	*	*			trans	-59.3	115.8	155.2	-69.8	178.2	145.9	0	0	108	T825	T825-E827 PolarHBondContact O-N 3.01Å
828	E	32.5	Very low	36.4	Very low	269 Å²	269	148.8 Å²	148.8	100%	1.257	81%	0.806	S	S	*	*			trans	-157.5	0	143.1	-108.1	-178.1	-165.8	0	0	110.7	E826	E826-E828 PolarHBondContact O-N 3.2Å

Retrieved 828 of 828 residues in 405.2 ms (Link to these results)

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