A0A096NF86_PAPAN Loading...

Inositol polyphosphate-4-phosphatase type I A

AlphaFold DB (A0A2I3MPQ1), UniProt , Accession A0A096NF86, Species PAPAN (Papio anubis, Olive baboon), Gene INPP4A, Length 977 aa.

						>A0A096NF86_PAPAN|A0A096NF86|INPP4A
MTAREHSPRHGARARAVQRASTIDVAADMLGLSLAGNIQDPDEPILEFSLACSELHTPSLDRKPNSFVAVSVTTPPQAFWTKHAQTEIIEGTNNPIFLSSIAFFQDSLINQMTQVKLSVYDVKDRSQGTMYLLGSGTFIVKDLLQDRHHRLHLTLRSAESDRVGNITVIGWQMEEKSDQRPPVTRSVDTVNGRMVLPVDESLTEALGIRSKYASLRKDTLLKSVFGGAICRMYRFPTTDGNHLRILEQMAESVLSLHVPRQFVKLLLEEDAARVCELEELGELSPCWESLRRQIVTQYQTIILTYQENLTDLHQYKGPSFKASSLKADKKLEFVPTNLHIQRMRVQDDGGSDQNYDIVTIGAPAAHCQGFKSGGLRKKLHKFEETKKHFEECCTSSGCQSIIYIPQDVVRAKEIIAQINTLKSQVSYYAERLSRAAKDRSATGLERTLAILADKTRQLVTVCDCKLLANSIHGLNAARPDYIASKASPTSTEEEQVMLRNDQDTLMARWTGRNSRSSLQVDWHEEEWEKVWLNVDKSLECIIQRVDKLLQRERLHGEGCEDVFPCAGSCTSKKGNPDSHAYWIRPEDPFCDVPSSPCPSTMPSAACHPHLTTHCSPPPEESSPGEWSEALYPLLTTLTDCVAMMSDKAKKAMVFLLMQDSAPTIATYLSLQYRRDVVFCQTLTALICGFIIKLRNCLHDDGFLRQLYTIGLLAQFESLLSTYGEELAMLEDMSLGIMDLRNVTFKVTQATSSASADMLPVITGNRDGFNVRVPLPGPLFDALPREIQSGMLLRVQPVLFNVGINEQQTLAERFGDTSLQEVINVESLVRLNSYFEQFKEVLPEDCLPRSRSQTCLPELLRFLGQNVHARKNKNVDILWQAAEICRRLNGVRFTSCKSAKDRTAMSVTLEQCLILQHEHGMAPQVFTQALECMRSEGCRRENTMKNVGSRKYAFNSLQLKAFPRHYRPPEGTYGKVET
					

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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	33.5	Very low	27.6	Very low	250 Å²	250	164.2 Å²	164.2	100%	1.232	87%	0.872	S	S	*	*				0	119.3	0	-82.6	-170.4	149.4	0	0	108.5
2	T	29.8	Very low	27.3	Very low	143 Å²	143	158.8 Å²	158.8	88%	0.877	87%	0.868	S	S	*	*			trans	-73.9	144.8	179.3	43.9	0	0	0	0	112
3	A	25.9	Very low	27.2	Very low	101 Å²	101	166.3 Å²	166.3	84%	0.835	88%	0.876	S	S	*	*				-173.3	128.6	128.4	0	0	0	0	0	111.7
4	R	29.2	Very low	27.1	Very low	229 Å²	229	161.1 Å²	161.1	86%	0.864	87%	0.868	S	S	*	*			trans	-66.7	159.3	163.4	-71.3	168.7	161.8	168.6	-6.2	109.8
5	E	25.6	Very low	26.9	Very low	197 Å²	197	166.9 Å²	166.9	92%	0.921	87%	0.873	S	S	*	*			trans	-155.8	136.8	131	-113.9	168.1	-158.8	0	0	112.8
6	H	24	Very low	27.1	Very low	179 Å²	179	162.6 Å²	162.6	83%	0.829	87%	0.869	S	S	*	*			trans	-101.1	134	176.9	-92	39.1	0	0	0	109.2
7	S	29.9	Very low	27.1	Very low	107 Å²	107	161.5 Å²	161.5	75%	0.748	87%	0.869	S	S	*	*			trans	18.6	150.1	141.1	-135.1	0	0	0	0	122
8	P	28.9	Very low	27	Very low	127 Å²	127	163.3 Å²	163.3	83%	0.825	87%	0.871	S	S	*	*			trans	-131.6	163.9	133.9	32.7	-17	0	0	0	115.8
9	R	25.9	Very low	27	Very low	217 Å²	217	167.9 Å²	167.9	82%	0.819	88%	0.875	S	S	*	*			trans	-93.5	169.1	-158.2	-66.3	169.5	157.7	172.9	-6.2	116
10	H	27.5	Very low	27.1	Very low	175 Å²	175	164.6 Å²	164.6	81%	0.81	87%	0.873	S	S	*	*			trans	95.3	128.8	138.7	-80.1	-55.9	0	0	0	121.5
11	G	24.1	Very low	27.2	Very low	81 Å²	81	160.7 Å²	160.7	84%	0.835	86%	0.859	S	S	*	*			trans	149.7	102.3	144.6	0	0	0	0	0	116.6
12	A	23.9	Very low	27.2	Very low	100 Å²	100	155.7 Å²	155.7	83%	0.826	84%	0.843	S	S	*	*			trans	-72.7	147	-174.6	0	0	0	0	0	117.3
13	R	25.6	Very low	27.5	Very low	256 Å²	256	155.3 Å²	155.3	97%	0.966	83%	0.834	S	S	*	*				179.1	142.8	110.8	-109.1	177	171	167.2	-2.2	112.7
14	A	25.3	Very low	27.6	Very low	93 Å²	93	155.8 Å²	155.8	77%	0.769	82%	0.823	S	S	*	*			trans	-96	157.4	-165.7	0	0	0	0	0	114.7
15	R	24.2	Very low	28	Very low	248 Å²	248	149.8 Å²	149.8	94%	0.936	81%	0.811	S	S	*	*				-170.6	122.6	122.2	-104.1	172	-176.1	-179.8	1	114
16	A	30.1	Very low	28.5	Very low	98 Å²	98	144 Å²	144	81%	0.81	80%	0.797	S	S	*	*			trans	58.2	100.9	147.3	0	0	0	0	0	121.1
17	V	26.9	Very low	28.8	Very low	145 Å²	145	138.4 Å²	138.4	88%	0.879	78%	0.782	S	S	*	*			trans	-132.9	122.5	146.2	179.8	0	0	0	0	107.7	R19	V17-R19 PolarHBondContact O-N 3.06Å
18	Q	26.1	Very low	29.2	Very low	194 Å²	194	139.2 Å²	139.2	91%	0.907	78%	0.778	S	S	*	*			trans	-57.6	123.2	175.4	-79	162.5	-51.5	0	0	110	A20	Q18-A20 PolarHBondContact O-N 3.27Å
19	R	26.8	Very low	29.8	Very low	251 Å²	251	139 Å²	139	95%	0.947	77%	0.768	S	S	*	*			trans	-72.8	111.6	163.2	-84.1	178.1	170.3	164.6	-4.2	108.1	V17	V17-R19 PolarHBondContact O-N 3.06Å
20	A	28.5	Very low	30.5	Very low	100 Å²	100	135.6 Å²	135.6	83%	0.826	77%	0.765	S	S	*	*			trans	-80.2	125.7	154.8	0	0	0	0	0	108	Q18	Q18-A20 PolarHBondContact O-N 3.27Å
21	S	29.4	Very low	31.2	Very low	84 Å²	84	130 Å²	130	59%	0.587	75%	0.754	S	S	*	*			trans	-70.5	136.8	-174	38.2	0	0	0	0	113.4	I23	S21-I23 PolarHBondContact O-N 3.35Å
22	T	34.5	Very low	32.6	Very low	145 Å²	145	128.7 Å²	128.7	89%	0.89	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	42.6	168.9	42.2	0	0	0	0	113.3
23	I	34.6	Very low	34.1	Very low	134 Å²	134	127.8 Å²	127.8	69%	0.687	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-9.6	-175.1	-69.9	172.1	0	0	0	114.1	S21	S21-I23 PolarHBondContact O-N 3.35Å
24	D	28.6	Very low	35.8	Very low	111 Å²	111	116.5 Å²	116.5	59%	0.594	67%	0.674	S	S	*	*	S	Bend	trans	-94.7	-9.4	-178.3	-83.7	-33.6	0	0	0	116.7	A26 D28	D24-A26 PolarHBondContact O-N 3.01Å; D24-D28 PolarHBondContact O-N 3.38Å
25	V	37.5	Very low	37.3	Very low	103 Å²	103	116.9 Å²	116.9	62%	0.624	68%	0.677	S	S	*	*	H	α-helix	trans	-74.2	-25.7	-175.3	-174.1	0	0	0	0	112.9	M29	V25-M29 WeakPolarHBondContact O-CG 3.48Å; V25-M29 PolarHBondContact O-N 2.94Å
26	A	35.9	Very low	38.9	Very low	76 Å²	76	106.2 Å²	106.2	63%	0.628	64%	0.644	S	S	*	*	H	α-helix	trans	-77.7	-28.2	179.8	0	0	0	0	0	113.1	D24	D24-A26 PolarHBondContact O-N 3.01Å
27	A	31.3	Very low	40.2	Very low	61 Å²	61	104.5 Å²	104.5	50%	0.504	62%	0.621	S	S	.	*	H	α-helix	trans	-77.4	-37.2	177.7	0	0	0	0	0	111.9	M29 L30	A27-M29 PolarHBondContact O-N 3.36Å; A27-L30 PolarHBondContact O-N 3.42Å
28	D	37.3	Very low	41.5	Very low	125 Å²	125	104.6 Å²	104.6	67%	0.668	62%	0.616	S	S	*	*	H	α-helix	trans	-71.8	-24.6	175.8	-83.6	-15.6	0	0	0	113.6	D24 L30 G31	D24-D28 PolarHBondContact O-N 3.38Å; D28-L30 VanDerWaalsContact C-N 3.34Å; D28-G31 PolarHBondContact O-N 3.1Å
29	M	41.3	Very low	42.8	Very low	123 Å²	123	101.3 Å²	101.3	61%	0.606	60%	0.6	S	S	*	*	H	α-helix	trans	-70.6	-26.7	175.5	-75.1	-104.2	-141.5	0	0	113.3	V25 A27 G31 L32	V25-M29 WeakPolarHBondContact O-CG 3.48Å; V25-M29 PolarHBondContact O-N 2.94Å; A27-M29 PolarHBondContact O-N 3.36Å; M29-G31 VanDerWaalsContact C-N 3.29Å; M29-G31 PolarHBondContact O-N 2.85Å; M29-L32 PolarHBondContact O-N 3.09Å
30	L	40.8	Very low	44.7	Very low	145 Å²	145	89.8 Å²	89.8	76%	0.759	56%	0.557	S	S	*	*	H	α-helix	trans	-69.5	-26.7	177.8	-80.2	156.8	0	0	0	112.2	A27 D28	A27-L30 PolarHBondContact O-N 3.42Å; D28-L30 VanDerWaalsContact C-N 3.34Å
31	G	42.3	Very low	46.6	Very low	57 Å²	57	85.8 Å²	85.8	59%	0.588	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.5	177.4	0	0	0	0	0	115.6	D28 M29	D28-G31 PolarHBondContact O-N 3.1Å; M29-G31 VanDerWaalsContact C-N 3.29Å; M29-G31 PolarHBondContact O-N 2.85Å
32	L	52.8	Low	48.8	Very low	54 Å²	54	81.8 Å²	81.8	28%	0.283	50%	0.495	S	S	.	.	S	Bend	trans	-108.7	-5.7	-176.9	-66.8	171.4	0	0	0	113.7	M29 N110 Q111 M112	M29-L32 PolarHBondContact O-N 3.09Å; L32-N110 WeakPolarHBondContact O-CB 3.25Å; L32-Q111 HydrophobicContact CD2-CB 4.38Å; L32-Q111 WeakPolarHBondContact O-CG 3.46Å; L32-Q111 PolarHBondContact O-N 3.28Å; L32-M112 HydrophobicContact CD1-CG 4.21Å; L32-M112 HydrophobicContact CD2-CG 4.16Å
33	S	56.5	Low	50.9	Low	81 Å²	81	76.8 Å²	76.8	57%	0.566	46%	0.461	S	S	*	.	B	Isolated β-bridge	trans	-73.4	136	178.7	-171.5	0	0	0	0	110.6	A35	S33-A35 PolarHBondContact O-N 3.42Å
34	L	62	Low	53.2	Low	19 Å²	19	71.1 Å²	71.1	10%	0.099	43%	0.434	C	S	.	.			trans	-79.6	120.3	170.6	-63.6	164.3	0	0	0	107.9	G36 I45 I109 Q111 V140 L144	L34-G36 PolarHBondContact O-N 3.1Å; L34-I45 HydrophobicContact CB-CG2 3.2Å; L34-I45 HydrophobicContact CD1-CG2 3.84Å; L34-I45 HydrophobicContact CG-CG2 4.1Å; L34-I109 HydrophobicContact CD1-CD1 3.53Å; L34-I109 HydrophobicContact CD1-CG1 3.9Å; L34-Q111 HydrophobicContact CD2-CG 3.94Å; L34-V140 HydrophobicContact CD1-CG1 4.17Å; L34-V140 HydrophobicContact CD2-CG1 4.45Å; L34-L144 HydrophobicContact CD2-CD1 3.5Å; L34-L144 VanDerWaalsContact CD2-CD1 3.5Å; L34-L144 HydrophobicContact CD2-CD2 4.4Å
35	A	56.8	Low	55.9	Low	101 Å²	101	67.5 Å²	67.5	84%	0.835	41%	0.414	S	S	*	.			trans	-67.6	104.4	179.5	0	0	0	0	0	109.8	S33	S33-A35 PolarHBondContact O-N 3.42Å
36	G	55.8	Low	58.3	Low	23 Å²	23	62.7 Å²	62.7	24%	0.237	38%	0.384	C	S	.	.			trans	-72.7	150.5	171.9	0	0	0	0	0	111.4	L34 I38	L34-G36 PolarHBondContact O-N 3.1Å; G36-I38 PolarHBondContact O-N 2.73Å
37	N	58	Low	60.9	Low	62 Å²	62	59.1 Å²	59.1	33%	0.332	36%	0.355	S	S	.	.			trans	-65.3	105	173.6	-171.5	-9.5	0	0	0	110	Q39 D40 E43 Q105	N37-Q39 PolarHBondContact O-N 3.27Å; N37-Q39 WeakPolarHBondContact OD1-CA 3.22Å; N37-Q39 WeakPolarHBondContact OD1-CB 3.3Å; N37-Q39 PolarHBondContact OD1-N 3.11Å; N37-D40 CarbonylContact O-C 3.18Å; N37-D40 PolarHBondContact O-N 3.36Å; N37-E43 HydrophobicContact CB-CB 4.49Å; N37-E43 PolarHBondContact ND2-OE2 2.89Å; N37-Q105 PolarHBondContact O-NE2 2.98Å
38	I	54	Low	63.8	Low	148 Å²	148	56.2 Å²	56.2	76%	0.759	33%	0.331	S	S	*	.	S	Bend	trans	-65.1	-24.1	178.8	-58.7	173	0	0	0	110.5	G36 K217	G36-I38 PolarHBondContact O-N 2.73Å; I38-K217 PolarHBondContact O-NZ 3.44Å
39	Q	54.6	Low	66.6	Low	125 Å²	125	50.9 Å²	50.9	58%	0.584	30%	0.303	S	S	*	.	S	Bend	trans	-76.1	-36.5	-178.7	-66	-174.8	-0.5	0	0	112.9	N37 K217	N37-Q39 PolarHBondContact O-N 3.27Å; N37-Q39 WeakPolarHBondContact OD1-CA 3.22Å; N37-Q39 WeakPolarHBondContact OD1-CB 3.3Å; N37-Q39 PolarHBondContact OD1-N 3.11Å; Q39-K217 VanDerWaalsContact CA-NZ 3.34Å; Q39-K217 WeakPolarHBondContact O-CD 3.04Å; Q39-K217 PolarHBondContact O-NZ 2.85Å
40	D	67.1	Low	69.2	Low	9 Å²	9	45.1 Å²	45.1	5%	0.048	28%	0.275	C	S	.	.			trans	-136.6	105	176.7	-169.6	-1.5	0	0	0	112.7	N37 D42 E43 R344	N37-D40 CarbonylContact O-C 3.18Å; N37-D40 PolarHBondContact O-N 3.36Å; D40-D42 PolarHBondContact O-N 3.05Å; D40-D42 WeakPolarHBondContact OD1-CB 3.27Å; D40-D42 PolarHBondContact OD1-N 3.49Å; D40-E43 HydrophobicContact CB-CG 4.19Å; D40-E43 PolarHBondContact O-N 3.44Å; D40-R344 IonicContact OD2-CZ 2.9Å; D40-R344 IonicContact OD2-NH1 3.33Å; D40-R344 PolarHBondContact OD2-NH1 3.01Å; D40-R344 IonicContact OD2-NH2 3.33Å
41	P	67.5	Low	71.8	Confident	16 Å²	16	39.2 Å²	39.2	10%	0.104	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-6.4	179.3	34.2	-38.1	0	0	0	113.7	R216 K217	P41-R216 HydrophobicContact CG-CB 3.99Å; P41-K217 HydrophobicContact CG-CB 3.7Å; P41-K217 HydrophobicContact CG-CD 4.44Å
42	D	75.4	Confident	74.4	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.1	170.2	-65.5	-42.7	0	0	0	111.7	D40 F104 S214 L215 R216 L246 Q248 R344	D40-D42 PolarHBondContact O-N 3.05Å; D40-D42 WeakPolarHBondContact OD1-CB 3.27Å; D40-D42 PolarHBondContact OD1-N 3.49Å; D42-F104 WeakPolarHBondContact O-CE1 3.32Å; D42-S214 VanDerWaalsContact CG-OG 3.25Å; D42-S214 WeakPolarHBondContact OD2-CA 3.48Å; D42-S214 WeakPolarHBondContact OD2-CB 3.5Å; D42-S214 PolarHBondContact OD2-OG 3.47Å; D42-L215 PolarHBondContact OD2-N 3.21Å; D42-R216 WeakPolarHBondContact OD1-CD 3.18Å; D42-R216 WeakPolarHBondContact OD1-CG 3.42Å; D42-R216 IonicContact OD1-NE 2.75Å; D42-L246 HydrophobicContact CB-CD2 4.1Å; D42-Q248 PolarHBondContact OD1-NE2 3.45Å; D42-Q248 VanDerWaalsContact OD1-NE2 3.1Å; D42-R344 IonicContact OD2-NH2 2.69Å
43	E	79.4	Confident	76.4	Confident	39 Å²	39	35.8 Å²	35.8	18%	0.182	22%	0.218	C	C	.	.	S	Bend	trans	-81.6	135.9	170.6	-68	-154.3	129.7	0	0	111.9	N37 D40 R244	N37-E43 HydrophobicContact CB-CB 4.49Å; N37-E43 PolarHBondContact ND2-OE2 2.89Å; D40-E43 HydrophobicContact CB-CG 4.19Å; D40-E43 PolarHBondContact O-N 3.44Å; E43-R244 IonicContact OE1-NH1 3.53Å; E43-R244 PolarHBondContact OE1-NH1 3.08Å
44	P	82.8	Confident	78.1	Confident	16 Å²	16	36.5 Å²	36.5	10%	0.104	21%	0.213	C	C	.	.			trans	-67.2	142.9	173.8	32.5	-38.1	0	0	0	110.8	L46 E47 A102 F103 F104 M232 R244	P44-L46 VanDerWaalsContact C-N 3.34Å; P44-E47 HydrophobicContact CB-CB 4.32Å; P44-E47 HydrophobicContact CG-CB 3.9Å; P44-A102 HydrophobicContact CB-CB 4.04Å; P44-F103 CarbonylContact C-O 3.58Å; P44-F103 WeakPolarHBondContact CA-O 3.46Å; P44-F104 HydrophobicContact CB-CD1 4.45Å; P44-F104 HydrophobicContact CB-CE1 4.31Å; P44-M232 HydrophobicContact CB-SD 4.02Å; P44-M232 HydrophobicContact CG-CE 3.97Å; P44-M232 HydrophobicContact CG-SD 3.56Å; P44-M232 VanDerWaalsContact CG-SD 3.56Å; P44-R244 VanDerWaalsContact CG-NH2 3.29Å
45	I	84.5	Confident	79.5	Confident	34 Å²	34	35.6 Å²	35.6	17%	0.174	21%	0.208	C	C	.	.	S	Bend	trans	-70.2	-36.5	168.2	-61.8	-174.4	0	0	0	110.5	L34 F103 Q105	L34-I45 HydrophobicContact CB-CG2 3.2Å; L34-I45 HydrophobicContact CD1-CG2 3.84Å; L34-I45 HydrophobicContact CG-CG2 4.1Å; I45-F103 PolarHBondContact N-O 3.23Å; I45-Q105 HydrophobicContact CD1-CB 4.26Å; I45-Q105 HydrophobicContact CD1-CG 3.9Å; I45-Q105 HydrophobicContact CG1-CG 4.04Å
46	L	87.1	Confident	80.8	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	125.9	178.1	173.5	66.8	0	0	0	108.5	P44 F48 A102 F103 I109 V140 L143 M173	P44-L46 VanDerWaalsContact C-N 3.34Å; L46-F48 HydrophobicContact CD1-CD1 4.49Å; L46-F48 HydrophobicContact CD2-CD1 4.27Å; L46-F48 HydrophobicContact CD2-CE1 4.27Å; L46-F48 HydrophobicContact CG-CD1 4.16Å; L46-A102 CarbonylContact O-C 3.38Å; L46-A102 WeakPolarHBondContact O-CA 3.19Å; L46-F103 HydrophobicContact CB-CB 4.32Å; L46-F103 HydrophobicContact CB-CD2 4.2Å; L46-F103 HydrophobicContact CD2-CD2 3.93Å; L46-F103 HydrophobicContact CD2-CE2 4.27Å; L46-F103 HydrophobicContact CG-CD2 4.18Å; L46-F103 PolarHBondContact N-O 3.13Å; L46-F103 PolarHBondContact O-N 3.46Å; L46-I109 HydrophobicContact CB-CD1 3.88Å; L46-I109 HydrophobicContact CD2-CD1 4.07Å; L46-V140 HydrophobicContact CD2-CG1 3.99Å; L46-V140 HydrophobicContact CD2-CG2 3.96Å; L46-L143 HydrophobicContact CD1-CD2 4.07Å; L46-M173 HydrophobicContact CD1-CE 3.4Å; L46-M173 HydrophobicContact CD1-SD 4.32Å
47	E	91.6	Very high	81.9	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.4	174.4	-172.4	-170.9	159.4	0	0	108.8	P44 I101 W171 M232 R234 R244	P44-E47 HydrophobicContact CB-CB 4.32Å; P44-E47 HydrophobicContact CG-CB 3.9Å; E47-I101 CarbonylContact C-O 3.44Å; E47-I101 WeakPolarHBondContact CA-O 3.29Å; E47-W171 HydrophobicContact CB-CB 4.39Å; E47-W171 HydrophobicContact CG-CB 4.49Å; E47-W171 PolarHBondContact O-N 2.88Å; E47-M232 HydrophobicContact CG-CE 4.48Å; E47-M232 HydrophobicContact CG-SD 4.47Å; E47-M232 VanDerWaalsContact OE2-CE 3.29Å; E47-M232 WeakPolarHBondContact OE2-CE 3.5Å; E47-R234 VanDerWaalsContact CD-NH2 3.33Å; E47-R234 IonicContact OE1-CZ 3.6Å; E47-R234 IonicContact OE1-NE 3.35Å; E47-R234 PolarHBondContact OE1-NE 3.31Å; E47-R234 IonicContact OE1-NH2 3.64Å; E47-R234 PolarHBondContact OE1-NH2 2.87Å; E47-R234 VanDerWaalsContact OE1-NH2 3.1Å; E47-R234 IonicContact OE2-CZ 2.87Å; E47-R234 IonicContact OE2-NH2 3.44Å; E47-R234 PolarHBondContact OE2-NH2 3.32Å; E47-R244 IonicContact OE2-CZ 2.79Å; E47-R244 IonicContact OE2-NE 3.77Å; E47-R244 PolarHBondContact OE2-NE 2.98Å; E47-R244 IonicContact OE2-NH2 2.88Å; E47-R244 PolarHBondContact OE2-NH2 3.38Å; E47-R244 VanDerWaalsContact OE2-NH2 3.14Å
48	F	93	Very high	82.2	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.7	170.6	60.8	-99.5	0	0	0	112.9	L46 L50 V70 I101 F103 V115 L117 F138 L143 V168 I169	L46-F48 HydrophobicContact CD1-CD1 4.49Å; L46-F48 HydrophobicContact CD2-CD1 4.27Å; L46-F48 HydrophobicContact CD2-CE1 4.27Å; L46-F48 HydrophobicContact CG-CD1 4.16Å; F48-L50 HydrophobicContact CD2-CD2 3.87Å; F48-L50 HydrophobicContact CD2-CG 4.17Å; F48-L50 HydrophobicContact CE2-CD1 4.34Å; F48-L50 HydrophobicContact CE2-CD2 3.85Å; F48-L50 HydrophobicContact CE2-CG 4.15Å; F48-V70 HydrophobicContact CZ-CG1 4.49Å; F48-I101 HydrophobicContact CD2-CB 3.95Å; F48-I101 HydrophobicContact CD2-CG1 4.14Å; F48-I101 HydrophobicContact CE1-CB 4.19Å; F48-I101 HydrophobicContact CE1-CG2 4.07Å; F48-I101 HydrophobicContact CE2-CB 3.56Å; F48-I101 HydrophobicContact CE2-CG1 3.63Å; F48-I101 HydrophobicContact CE2-CG2 3.99Å; F48-I101 HydrophobicContact CG-CB 4.41Å; F48-I101 HydrophobicContact CZ-CB 3.69Å; F48-I101 HydrophobicContact CZ-CG1 4.16Å; F48-I101 HydrophobicContact CZ-CG2 3.6Å; F48-I101 PolarHBondContact N-O 3.03Å; F48-I101 PolarHBondContact O-N 3.43Å; F48-F103 HydrophobicContact CE1-CD2 4.45Å; F48-F103 AromaticContact CE1-CE2 3.74Å; F48-F103 HydrophobicContact CE1-CE2 3.74Å; F48-F103 HydrophobicContact CZ-CE2 4.28Å; F48-V115 HydrophobicContact CZ-CG1 4.22Å; F48-L117 HydrophobicContact CE2-CD2 4.48Å; F48-F138 HydrophobicContact CE1-CZ 4.2Å; F48-F138 HydrophobicContact CZ-CZ 4.2Å; F48-L143 HydrophobicContact CB-CD2 4.43Å; F48-L143 HydrophobicContact CD1-CD2 4.32Å; F48-V168 HydrophobicContact CB-CG1 3.91Å; F48-V168 HydrophobicContact CD2-CG1 3.65Å; F48-V168 HydrophobicContact CE2-CG1 4.28Å; F48-V168 HydrophobicContact CG-CG1 3.8Å; F48-I169 CarbonylContact C-O 3.58Å; F48-I169 WeakPolarHBondContact CA-O 3.38Å; F48-I169 VanDerWaalsContact CB-O 3.23Å; F48-I169 WeakPolarHBondContact CB-O 3.22Å
49	S	94.3	Very high	82.7	Confident	12 Å²	12	36.4 Å²	36.4	8%	0.084	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	158.6	172.2	-54.9	0	0	0	0	111	S100 I169 W171	S49-S100 PolarHBondContact OG-OG 3.37Å; S49-I169 PolarHBondContact N-O 2.93Å; S49-I169 PolarHBondContact O-N 2.92Å; S49-W171 PolarHBondContact OG-NE1 2.9Å
50	L	96.1	Very high	83.1	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.9	-176.3	-63.4	174.9	0	0	0	110.4	F48 V68 V70 T86 F97 I101 L117 I166 T167 V168	F48-L50 HydrophobicContact CD2-CD2 3.87Å; F48-L50 HydrophobicContact CD2-CG 4.17Å; F48-L50 HydrophobicContact CE2-CD1 4.34Å; F48-L50 HydrophobicContact CE2-CD2 3.85Å; F48-L50 HydrophobicContact CE2-CG 4.15Å; L50-V68 HydrophobicContact CD1-CB 4.04Å; L50-V68 HydrophobicContact CD1-CG1 3.93Å; L50-V68 HydrophobicContact CD1-CG2 4.38Å; L50-V70 HydrophobicContact CD1-CG2 4.19Å; L50-T86 HydrophobicContact CD1-CG2 4.01Å; L50-F97 HydrophobicContact CB-CD2 3.99Å; L50-F97 WeakPolarHBondContact O-CD2 3.3Å; L50-F97 PolarHBondContact O-N 3.25Å; L50-I101 HydrophobicContact CD1-CG1 4.09Å; L50-L117 HydrophobicContact CD1-CD2 4.22Å; L50-L117 HydrophobicContact CD2-CD1 3.84Å; L50-L117 HydrophobicContact CD2-CD2 4.34Å; L50-I166 HydrophobicContact CD2-CD1 4.25Å; L50-I166 HydrophobicContact CD2-CG1 4.46Å; L50-T167 WeakPolarHBondContact CA-O 3.27Å; L50-V168 HydrophobicContact CD2-CB 4.37Å; L50-V168 HydrophobicContact CD2-CG1 4.33Å; L50-V168 HydrophobicContact CD2-CG2 3.86Å
51	A	96	Very high	83.2	Confident	20 Å²	20	42 Å²	42	17%	0.165	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	138.6	168.5	0	0	0	0	0	109.5	P95 I96 T167	A51-P95 WeakPolarHBondContact CA-O 3.47Å; A51-I96 HydrophobicContact CB-CG1 4.28Å; A51-T167 PolarHBondContact N-O 3.36Å; A51-T167 VanDerWaalsContact N-O 3.08Å; A51-T167 PolarHBondContact O-N 3.04Å
52	C	96.1	Very high	84	Confident	5 Å²	5	45 Å²	45	3%	0.034	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	156	173.3	-55	0	0	0	0	110.7	L55 N94 P95 N165	C52-L55 HydrophobicContact CB-CD1 3.76Å; C52-L55 HydrophobicContact CB-CD2 3.96Å; C52-L55 HydrophobicContact CB-CG 3.84Å; C52-N94 CarbonylContact O-C 3.6Å; C52-N94 WeakPolarHBondContact O-CA 3.13Å; C52-P95 HydrophobicContact CB-CG 3.73Å; C52-P95 PolarHBondContact N-O 3.04Å; C52-N165 CarbonylContact C-O 3.52Å; C52-N165 VanDerWaalsContact CA-O 3.27Å; C52-N165 WeakPolarHBondContact CA-O 3.37Å
53	S	95.3	Very high	84.6	Confident	35 Å²	35	51.1 Å²	51.1	25%	0.245	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	148	174.2	62.8	0	0	0	0	110.6	L55 N93 N94 N165	S53-L55 VanDerWaalsContact C-N 3.29Å; S53-L55 PolarHBondContact O-N 3.02Å; S53-N93 CarbonylContact C-O 3.57Å; S53-N94 VanDerWaalsContact CA-OD1 3.26Å; S53-N94 WeakPolarHBondContact CA-OD1 3.39Å; S53-N165 PolarHBondContact N-O 3.26Å; S53-N165 PolarHBondContact O-N 3.29Å
54	E	92	Very high	85.1	Confident	95 Å²	95	49.2 Å²	49.2	44%	0.444	27%	0.266	S	S	.	.	S	Bend	trans	55.8	41.7	175.6	-53.8	175.5	172.8	0	0	112.4	H56 N93 N94 R162 G164	E54-H56 PolarHBondContact O-CE1 3.4Å; E54-H56 PolarHBondContact O-N 3.24Å; E54-H56 PolarHBondContact O-ND1 3.43Å; E54-N93 PolarHBondContact N-O 3.37Å; E54-N94 PolarHBondContact N-OD1 3.04Å; E54-R162 IonicContact OE2-CZ 2.9Å; E54-R162 IonicContact OE2-NH2 2.77Å; E54-R162 PolarHBondContact OE2-NH2 2.89Å; E54-G164 WeakPolarHBondContact O-CA 3.47Å
55	L	91.2	Very high	85.5	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.268	C	S	.	.			trans	-69.3	129.2	174.5	-66.4	-179.6	0	0	0	110.9	C52 S53 P64 S66 N93 P95 V119 L155 V163	C52-L55 HydrophobicContact CB-CD1 3.76Å; C52-L55 HydrophobicContact CB-CD2 3.96Å; C52-L55 HydrophobicContact CB-CG 3.84Å; S53-L55 VanDerWaalsContact C-N 3.29Å; S53-L55 PolarHBondContact O-N 3.02Å; L55-P64 HydrophobicContact CB-CG 3.99Å; L55-P64 HydrophobicContact CD1-CG 4.39Å; L55-S66 WeakPolarHBondContact CD1-OG 3.36Å; L55-N93 PolarHBondContact N-O 3.31Å; L55-P95 HydrophobicContact CD1-CG 3.77Å; L55-V119 HydrophobicContact CD1-CG1 4.24Å; L55-V119 HydrophobicContact CD2-CG1 4.42Å; L55-L155 HydrophobicContact CD2-CD1 3.61Å; L55-V163 WeakPolarHBondContact CA-O 3.45Å
56	H	85	Confident	85.9	Confident	111 Å²	111	48 Å²	48	51%	0.514	26%	0.26	S	S	.	.			trans	-114.6	136.7	178.6	-63.2	83.9	0	0	0	110.7	E54 V163	E54-H56 PolarHBondContact O-CE1 3.4Å; E54-H56 PolarHBondContact O-N 3.24Å; E54-H56 PolarHBondContact O-ND1 3.43Å; H56-V163 PolarHBondContact N-O 3.07Å
57	T	79.1	Confident	86.3	Confident	25 Å²	25	48.7 Å²	48.7	15%	0.153	26%	0.262	C	S	.	.			trans	-103.1	106.2	172.8	40.1	0	0	0	0	109.2	S59 L60 R62 P64 L133	T57-S59 PolarHBondContact O-N 3.47Å; T57-L60 PolarHBondContact OG1-O 3.42Å; T57-R62 PolarHBondContact OG1-O 2.86Å; T57-P64 HydrophobicContact CG2-CB 3.77Å; T57-P64 HydrophobicContact CG2-CG 4.35Å; T57-L133 HydrophobicContact CG2-CD2 4.02Å
58	P	64.9	Low	86.5	Confident	110 Å²	110	48.6 Å²	48.6	71%	0.714	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.2	-171.9	-23.3	31.5	0	0	0	114.8
59	S	63.2	Low	86.7	Confident	104 Å²	104	49 Å²	49	73%	0.727	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-1.8	-167.6	53.1	0	0	0	0	115.1	T57	T57-S59 PolarHBondContact O-N 3.47Å
60	L	62.8	Low	86.7	Confident	68 Å²	68	48.4 Å²	48.4	36%	0.356	26%	0.261	S	S	.	.			trans	-139.5	129.7	178.3	-70.5	97.5	0	0	0	111.2	T57 R62	T57-L60 PolarHBondContact OG1-O 3.42Å; L60-R62 HydrophobicContact CB-CG 3.93Å; L60-R62 PolarHBondContact O-N 2.78Å
61	D	69.3	Low	86.7	Confident	185 Å²	185	49.3 Å²	49.3	99%	0.989	27%	0.268	S	S	*	.	S	Bend	trans	-77.4	51.1	173.4	-161.9	19.8	0	0	0	111.2
62	R	85.6	Confident	86.6	Confident	79 Å²	79	49.3 Å²	49.3	30%	0.298	27%	0.265	S	S	.	.	S	Bend	trans	-134.6	151.2	177.5	78.1	174.1	-163.6	133.8	5.4	109.2	T57 L60 N65 D121 V122	T57-R62 PolarHBondContact OG1-O 2.86Å; L60-R62 HydrophobicContact CB-CG 3.93Å; L60-R62 PolarHBondContact O-N 2.78Å; R62-N65 PolarHBondContact NH1-ND2 3.47Å; R62-D121 IonicContact CZ-OD1 3.85Å; R62-D121 IonicContact CZ-OD2 3.69Å; R62-D121 IonicContact NE-OD2 2.68Å; R62-D121 IonicContact NH2-OD1 2.8Å; R62-D121 PolarHBondContact NH2-OD1 2.92Å; R62-D121 IonicContact NH2-OD2 3.6Å; R62-D121 PolarHBondContact NH2-OD2 3.06Å; R62-V122 PolarHBondContact NH2-O 3.47Å
63	K	87.8	Confident	86.4	Confident	127 Å²	127	49.5 Å²	49.5	55%	0.552	27%	0.266	S	S	*	.			trans	-66.3	139.8	168.1	-60.7	-178.3	179.5	177.3	0	110.1	G91	K63-G91 VanDerWaalsContact CB-C 3.42Å; K63-G91 WeakPolarHBondContact CD-O 3.48Å
64	P	89.1	Confident	86	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.262	C	S	.	.			trans	-73.8	158.3	-176.8	29.8	-32.1	0	0	0	112.2	L55 T57 G91 T92 N93 D121 L133	L55-P64 HydrophobicContact CB-CG 3.99Å; L55-P64 HydrophobicContact CD1-CG 4.39Å; T57-P64 HydrophobicContact CG2-CB 3.77Å; T57-P64 HydrophobicContact CG2-CG 4.35Å; P64-G91 PolarHBondContact O-N 3.18Å; P64-G91 VanDerWaalsContact O-N 3.14Å; P64-T92 WeakPolarHBondContact CG-O 3.44Å; P64-T92 PolarHBondContact O-N 3.38Å; P64-N93 WeakPolarHBondContact CD-OD1 3.48Å; P64-D121 WeakPolarHBondContact CA-OD1 3.46Å; P64-D121 HydrophobicContact CB-CB 4.31Å; P64-L133 HydrophobicContact CB-CD1 4.16Å
65	N	91.7	Very high	85.6	Confident	25 Å²	25	47.5 Å²	47.5	13%	0.134	26%	0.261	C	S	.	.			trans	-106.9	96.5	167.4	-62.5	-25.8	0	0	0	107.6	R62 I88 I89 E90 G91 D121 V122	R62-N65 PolarHBondContact NH1-ND2 3.47Å; N65-I88 HydrophobicContact CB-CG2 4.31Å; N65-I89 CarbonylContact C-O 3.6Å; N65-I89 WeakPolarHBondContact CA-O 3.3Å; N65-E90 WeakPolarHBondContact OD1-CA 3.42Å; N65-G91 PolarHBondContact OD1-N 3.24Å; N65-D121 PolarHBondContact N-OD1 2.98Å; N65-D121 CarbonylContact O-C 3.53Å; N65-D121 WeakPolarHBondContact O-CA 3.37Å; N65-V122 HydrophobicContact CB-CB 4.27Å; N65-V122 WeakPolarHBondContact CB-O 3.35Å; N65-V122 PolarHBondContact ND2-O 3.24Å; N65-V122 PolarHBondContact O-N 3.38Å
66	S	93.2	Very high	85	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.8	-162.1	-63.9	0	0	0	0	114.2	L55 I88 I89 F97 Y120	L55-S66 WeakPolarHBondContact CD1-OG 3.36Å; S66-I88 WeakPolarHBondContact O-CA 3.5Å; S66-I89 PolarHBondContact N-O 2.82Å; S66-I89 PolarHBondContact O-N 3.03Å; S66-F97 WeakPolarHBondContact O-CE1 3.44Å; S66-Y120 VanDerWaalsContact CA-O 3.23Å; S66-Y120 WeakPolarHBondContact CA-O 3.26Å
67	F	94.8	Very high	84.7	Confident	15 Å²	15	52.4 Å²	52.4	7%	0.066	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.7	161.9	77	-86.6	0	0	0	110	A69 Q85 E87 I88 V119 Y120 V122 M130	F67-A69 HydrophobicContact CE2-CB 4.21Å; F67-Q85 HydrophobicContact CD2-CB 4.4Å; F67-E87 WeakPolarHBondContact CB-O 3.45Å; F67-I88 HydrophobicContact CB-CG1 3.95Å; F67-I88 HydrophobicContact CD1-CG1 4.09Å; F67-I88 HydrophobicContact CG-CG1 4.29Å; F67-V119 WeakPolarHBondContact O-CA 3.04Å; F67-Y120 VanDerWaalsContact CE1-CB 3.42Å; F67-Y120 HydrophobicContact CE1-CD2 4.38Å; F67-Y120 HydrophobicContact CE1-CG 4.07Å; F67-Y120 AromaticContact CE2-CD2 3.9Å; F67-Y120 HydrophobicContact CE2-CD2 3.9Å; F67-Y120 HydrophobicContact CE2-CG 4.4Å; F67-Y120 AromaticContact CZ-CD2 3.73Å; F67-Y120 HydrophobicContact CZ-CD2 3.73Å; F67-Y120 AromaticContact CZ-CG 3.77Å; F67-Y120 HydrophobicContact CZ-CG 3.77Å; F67-Y120 PolarHBondContact N-O 2.87Å; F67-Y120 PolarHBondContact O-N 2.75Å; F67-V122 HydrophobicContact CD1-CG2 3.6Å; F67-V122 HydrophobicContact CE1-CG2 3.76Å; F67-M130 HydrophobicContact CE1-SD 3.65Å; F67-M130 HydrophobicContact CZ-CE 4.23Å; F67-M130 HydrophobicContact CZ-SD 3.51Å; F67-M130 VanDerWaalsContact CZ-SD 3.51Å
68	V	96.5	Very high	84.5	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.2	177.9	-168.3	0	0	0	0	109.7	L50 Q85 T86 F97 L117 S118 V119 I166	L50-V68 HydrophobicContact CD1-CB 4.04Å; L50-V68 HydrophobicContact CD1-CG1 3.93Å; L50-V68 HydrophobicContact CD1-CG2 4.38Å; V68-Q85 CarbonylContact O-C 3.58Å; V68-Q85 VanDerWaalsContact O-CA 3.25Å; V68-Q85 WeakPolarHBondContact O-CA 3.5Å; V68-T86 HydrophobicContact CB-CG2 4.08Å; V68-T86 PolarHBondContact N-OG1 3.43Å; V68-T86 PolarHBondContact O-N 3.24Å; V68-F97 HydrophobicContact CG2-CD2 4.21Å; V68-F97 HydrophobicContact CG2-CE2 3.52Å; V68-F97 HydrophobicContact CG2-CZ 3.76Å; V68-L117 HydrophobicContact CG1-CB 4.03Å; V68-L117 HydrophobicContact CG1-CD2 4.37Å; V68-S118 WeakPolarHBondContact CA-O 3.41Å; V68-V119 HydrophobicContact CG1-CG2 4.46Å; V68-V119 HydrophobicContact CG2-CG2 4.16Å; V68-I166 HydrophobicContact CG1-CD1 4.03Å; V68-I166 HydrophobicContact CG2-CD1 4.06Å
69	A	96.1	Very high	85.6	Confident	9 Å²	9	57 Å²	57	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.2	166.3	0	0	0	0	0	109.6	F67 S118 Y120	F67-A69 HydrophobicContact CE2-CB 4.21Å; A69-S118 PolarHBondContact N-O 2.94Å; A69-S118 PolarHBondContact O-N 3.29Å; A69-Y120 HydrophobicContact CB-CD2 4.27Å; A69-Y120 HydrophobicContact CB-CE2 3.81Å
70	V	95.8	Very high	86.9	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.8	-179.7	-173.9	0	0	0	0	109.4	F48 L50 H83 A84 I101 V115 L117	F48-V70 HydrophobicContact CZ-CG1 4.49Å; L50-V70 HydrophobicContact CD1-CG2 4.19Å; V70-H83 PolarHBondContact O-N 3.01Å; V70-A84 PolarHBondContact N-O 3.36Å; V70-A84 PolarHBondContact O-N 3.07Å; V70-I101 HydrophobicContact CG1-CG2 4.27Å; V70-I101 HydrophobicContact CG2-CD1 3.75Å; V70-I101 HydrophobicContact CG2-CG1 3.97Å; V70-V115 HydrophobicContact CG1-CG1 3.67Å; V70-L117 HydrophobicContact CB-CD2 4.38Å; V70-L117 HydrophobicContact CG1-CD2 4.05Å; V70-L117 HydrophobicContact CG2-CD2 3.77Å
71	S	95.1	Very high	88.2	Confident	22 Å²	22	56.8 Å²	56.8	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.7	175.4	-62	0	0	0	0	110.2	W80 T81 K116	S71-W80 WeakPolarHBondContact O-CZ3 3.4Å; S71-T81 CarbonylContact C-O 3.54Å; S71-T81 VanDerWaalsContact CA-O 3.22Å; S71-T81 WeakPolarHBondContact CA-O 3.25Å; S71-K116 PolarHBondContact N-O 3.46Å; S71-K116 PolarHBondContact O-N 3.33Å
72	V	93.9	Very high	89.2	Confident	19 Å²	19	53.8 Å²	53.8	12%	0.115	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.7	-177.5	-61.3	0	0	0	0	112.1	T81 H83 F103 T113 Q114 V115	V72-T81 PolarHBondContact N-O 3.26Å; V72-T81 PolarHBondContact O-N 3.4Å; V72-H83 HydrophobicContact CG1-CB 4.25Å; V72-H83 HydrophobicContact CG2-CB 4.27Å; V72-F103 HydrophobicContact CG1-CE1 3.69Å; V72-F103 HydrophobicContact CG1-CZ 3.58Å; V72-T113 HydrophobicContact CB-CG2 4.21Å; V72-Q114 WeakPolarHBondContact CA-O 3.49Å; V72-V115 HydrophobicContact CG1-CG1 4.49Å; V72-V115 HydrophobicContact CG1-CG2 4.15Å
73	T	92.4	Very high	89.5	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.055	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	138.2	169.2	-164.7	0	0	0	0	109.8	Q77 F79 W80 Q114	T73-Q77 PolarHBondContact OG1-O 3.17Å; T73-Q77 VanDerWaalsContact OG1-O 3.09Å; T73-F79 WeakPolarHBondContact CB-O 3.34Å; T73-F79 PolarHBondContact OG1-O 3.38Å; T73-W80 HydrophobicContact CG2-CD2 4.12Å; T73-W80 HydrophobicContact CG2-CE3 4.01Å; T73-W80 HydrophobicContact CG2-CH2 3.78Å; T73-W80 HydrophobicContact CG2-CZ2 3.9Å; T73-W80 HydrophobicContact CG2-CZ3 3.84Å; T73-Q114 HydrophobicContact CG2-CB 3.92Å; T73-Q114 PolarHBondContact N-O 3.01Å; T73-Q114 PolarHBondContact O-N 3.2Å
74	T	87.3	Confident	89.7	Confident	25 Å²	25	47.5 Å²	47.5	15%	0.153	26%	0.263	C	S	.	.			trans	-118.2	112.1	-179.9	-58.7	0	0	0	0	108.7	Q77 N110 T113	T74-Q77 WeakPolarHBondContact O-CB 3.17Å; T74-Q77 PolarHBondContact O-N 2.88Å; T74-N110 WeakPolarHBondContact CG2-ND2 3.42Å; T74-T113 PolarHBondContact OG1-OG1 2.95Å
75	P	82.9	Confident	89.8	Confident	64 Å²	64	50.3 Å²	50.3	42%	0.416	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	137.1	177.5	-27.3	35.3	0	0	0	111.7	M112	P75-M112 WeakPolarHBondContact CD-O 3.48Å
76	P	77.6	Confident	90	Very high	136 Å²	136	49.2 Å²	49.2	88%	0.883	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.8	9.1	12.1	36.4	-37.1	0	0	0	115.3	A78	P76-A78 PolarHBondContact O-N 3.07Å
77	Q	79.8	Confident	90	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.364	27%	0.272	S	S	.	.			trans	-59.5	127.3	177.4	-165.4	176.6	-2.4	0	0	110.3	T73 T74 F79	T73-Q77 PolarHBondContact OG1-O 3.17Å; T73-Q77 VanDerWaalsContact OG1-O 3.09Å; T74-Q77 WeakPolarHBondContact O-CB 3.17Å; T74-Q77 PolarHBondContact O-N 2.88Å; Q77-F79 HydrophobicContact CG-CD1 3.86Å; Q77-F79 HydrophobicContact CG-CE1 3.68Å; Q77-F79 HydrophobicContact CG-CG 4.38Å; Q77-F79 HydrophobicContact CG-CZ 4.07Å
78	A	75.6	Confident	89.9	Confident	100 Å²	100	51 Å²	51	83%	0.826	28%	0.28	S	S	*	.			trans	-99	-0.4	-173.5	0	0	0	0	0	114.4	P76	P76-A78 PolarHBondContact O-N 3.07Å
79	F	87.1	Confident	89.7	Confident	131 Å²	131	52.3 Å²	52.3	58%	0.575	29%	0.287	S	S	*	.	S	Bend	trans	-116.7	149.7	-179.5	64.6	-90.2	0	0	0	112	T73 Q77	T73-F79 WeakPolarHBondContact CB-O 3.34Å; T73-F79 PolarHBondContact OG1-O 3.38Å; Q77-F79 HydrophobicContact CG-CD1 3.86Å; Q77-F79 HydrophobicContact CG-CE1 3.68Å; Q77-F79 HydrophobicContact CG-CG 4.38Å; Q77-F79 HydrophobicContact CG-CZ 4.07Å
80	W	89.7	Confident	89.3	Confident	104 Å²	104	56.9 Å²	56.9	39%	0.394	31%	0.306	S	S	.	.			trans	-86.6	133.2	176.1	-69.8	91.7	0	0	0	110.5	S71 T73 Q114 K116 T137	S71-W80 WeakPolarHBondContact O-CZ3 3.4Å; T73-W80 HydrophobicContact CG2-CD2 4.12Å; T73-W80 HydrophobicContact CG2-CE3 4.01Å; T73-W80 HydrophobicContact CG2-CH2 3.78Å; T73-W80 HydrophobicContact CG2-CZ2 3.9Å; T73-W80 HydrophobicContact CG2-CZ3 3.84Å; W80-Q114 HydrophobicContact CH2-CB 3.96Å; W80-Q114 HydrophobicContact CZ3-CB 4.47Å; W80-K116 HydrophobicContact CD2-CB 4.4Å; W80-K116 HydrophobicContact CE3-CB 3.79Å; W80-K116 HydrophobicContact CH2-CB 3.55Å; W80-K116 HydrophobicContact CZ2-CB 4.17Å; W80-K116 HydrophobicContact CZ2-CD 4.48Å; W80-K116 HydrophobicContact CZ3-CB 3.32Å; W80-T137 HydrophobicContact CH2-CG2 3.94Å
81	T	90.6	Very high	89	Confident	64 Å²	64	58.7 Å²	58.7	39%	0.393	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	129.1	172.9	-55	0	0	0	0	109.5	S71 V72 H83	S71-T81 CarbonylContact C-O 3.54Å; S71-T81 VanDerWaalsContact CA-O 3.22Å; S71-T81 WeakPolarHBondContact CA-O 3.25Å; V72-T81 PolarHBondContact N-O 3.26Å; V72-T81 PolarHBondContact O-N 3.4Å; T81-H83 PolarHBondContact O-N 3.49Å
82	K	91.1	Very high	88.9	Confident	123 Å²	123	59.3 Å²	59.3	54%	0.535	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	121.2	173.2	-177.3	178.6	178.9	178.1	0	108.8
83	H	90.6	Very high	88.8	Confident	60 Å²	60	61 Å²	61	28%	0.278	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-52.2	179.4	-177	66.4	0	0	0	111.6	V70 V72 T81 A102 F103	V70-H83 PolarHBondContact O-N 3.01Å; V72-H83 HydrophobicContact CG1-CB 4.25Å; V72-H83 HydrophobicContact CG2-CB 4.27Å; T81-H83 PolarHBondContact O-N 3.49Å; H83-A102 PolarHBondContact NE2-O 3.18Å; H83-F103 HydrophobicContact CB-CE1 4.37Å; H83-F103 AromaticContact CD2-CE1 3.39Å; H83-F103 WeakPolarHBondContact CD2-CE1 3.33Å; H83-F103 AromaticContact CD2-CZ 3.47Å; H83-F103 VanDerWaalsContact CD2-CZ 3.47Å; H83-F103 WeakPolarHBondContact CD2-CZ 3.45Å; H83-F103 AromaticContact CE1-CD1 3.47Å; H83-F103 VanDerWaalsContact CE1-CD1 3.47Å; H83-F103 WeakPolarHBondContact CE1-CD1 3.31Å; H83-F103 AromaticContact CE1-CE1 3.48Å; H83-F103 VanDerWaalsContact CE1-CE1 3.48Å; H83-F103 WeakPolarHBondContact CE1-CE1 3.4Å; H83-F103 AromaticContact CG-CE1 3.55Å; H83-F103 AromaticContact CG-CZ 3.95Å; H83-F103 AromaticContact ND1-CE1 3.64Å; H83-F103 AromaticContact NE2-CD1 3.45Å; H83-F103 WeakPolarHBondContact NE2-CD1 3.46Å; H83-F103 AromaticContact NE2-CE1 3.34Å; H83-F103 VanDerWaalsContact NE2-CE1 3.34Å; H83-F103 WeakPolarHBondContact NE2-CE1 3.44Å; H83-F103 AromaticContact NE2-CG 3.95Å; H83-F103 AromaticContact NE2-CZ 3.73Å
84	A	92	Very high	88.9	Confident	13 Å²	13	64.8 Å²	64.8	11%	0.107	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	173.2	-172.8	0	0	0	0	0	111.8	V70 I101	V70-A84 PolarHBondContact N-O 3.36Å; V70-A84 PolarHBondContact O-N 3.07Å; A84-I101 HydrophobicContact CB-CD1 3.87Å; A84-I101 HydrophobicContact CB-CG2 4.5Å
85	Q	92.9	Very high	89.2	Confident	60 Å²	60	63.7 Å²	63.7	28%	0.28	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.7	169	69.9	-174.5	22.9	0	0	109.2	F67 V68 E935	F67-Q85 HydrophobicContact CD2-CB 4.4Å; V68-Q85 CarbonylContact O-C 3.58Å; V68-Q85 VanDerWaalsContact O-CA 3.25Å; V68-Q85 WeakPolarHBondContact O-CA 3.5Å; Q85-E935 WeakPolarHBondContact CG-OE2 3.06Å; Q85-E935 PolarHBondContact NE2-OE1 3.24Å; Q85-E935 PolarHBondContact NE2-OE2 2.84Å
86	T	94.8	Very high	89.7	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.006	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-85.9	170.5	174.4	66.5	0	0	0	0	111.6	L50 V68 F97 S99 I101	L50-T86 HydrophobicContact CD1-CG2 4.01Å; V68-T86 HydrophobicContact CB-CG2 4.08Å; V68-T86 PolarHBondContact N-OG1 3.43Å; V68-T86 PolarHBondContact O-N 3.24Å; T86-F97 HydrophobicContact CG2-CB 4.06Å; T86-F97 HydrophobicContact CG2-CD1 4.2Å; T86-F97 HydrophobicContact CG2-CD2 4.37Å; T86-F97 HydrophobicContact CG2-CG 3.95Å; T86-F97 VanDerWaalsContact OG1-CD1 3.25Å; T86-F97 WeakPolarHBondContact OG1-CD1 3.5Å; T86-F97 WeakPolarHBondContact OG1-CE1 3.39Å; T86-S99 VanDerWaalsContact CA-OG 3.29Å; T86-S99 WeakPolarHBondContact CA-OG 3.46Å; T86-S99 WeakPolarHBondContact CB-OG 3.37Å; T86-I101 HydrophobicContact CG2-CD1 4.42Å
87	E	93.7	Very high	90.6	Very high	6 Å²	6	59.9 Å²	59.9	3%	0.028	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65.4	163.9	166.2	75.7	-85.8	-152.7	0	0	112.1	F67 I89 F97 L98 S99 C931 E935	F67-E87 WeakPolarHBondContact CB-O 3.45Å; E87-I89 HydrophobicContact CG-CD1 3.75Å; E87-I89 HydrophobicContact CG-CG1 4.44Å; E87-F97 WeakPolarHBondContact O-CD1 3.44Å; E87-F97 VanDerWaalsContact O-CE1 3.25Å; E87-F97 WeakPolarHBondContact O-CE1 3.28Å; E87-L98 WeakPolarHBondContact OE1-CB 3.42Å; E87-L98 PolarHBondContact OE1-N 3.32Å; E87-S99 VanDerWaalsContact OE2-CB 3.24Å; E87-S99 WeakPolarHBondContact OE2-CB 3.45Å; E87-S99 PolarHBondContact OE2-N 3.17Å; E87-S99 PolarHBondContact OE2-OG 3.11Å; E87-C931 HydrophobicContact CB-CB 4.38Å; E87-C931 HydrophobicContact CG-CB 4.29Å; E87-E935 HydrophobicContact CB-CG 4.38Å
88	I	92.1	Very high	91.2	Very high	48 Å²	48	56.7 Å²	56.7	25%	0.246	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-91.9	120.1	177.1	-56.5	162.7	0	0	0	109.2	N65 S66 F67 V122 R125	N65-I88 HydrophobicContact CB-CG2 4.31Å; S66-I88 WeakPolarHBondContact O-CA 3.5Å; F67-I88 HydrophobicContact CB-CG1 3.95Å; F67-I88 HydrophobicContact CD1-CG1 4.09Å; F67-I88 HydrophobicContact CG-CG1 4.29Å; I88-V122 HydrophobicContact CD1-CG2 4.04Å; I88-V122 HydrophobicContact CG1-CG2 4.24Å; I88-V122 HydrophobicContact CG2-CB 4.5Å; I88-V122 HydrophobicContact CG2-CG2 4.15Å; I88-R125 VanDerWaalsContact CG2-NH2 3.28Å; I88-R125 PolarHBondContact O-NH2 3.37Å
89	I	92.1	Very high	92.1	Very high	26 Å²	26	52.2 Å²	52.2	13%	0.133	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-101.9	128.4	174.5	-54.4	-59.8	0	0	0	109.4	N65 S66 E87 T92 P95 F97	N65-I89 CarbonylContact C-O 3.6Å; N65-I89 WeakPolarHBondContact CA-O 3.3Å; S66-I89 PolarHBondContact N-O 2.82Å; S66-I89 PolarHBondContact O-N 3.03Å; E87-I89 HydrophobicContact CG-CD1 3.75Å; E87-I89 HydrophobicContact CG-CG1 4.44Å; I89-T92 HydrophobicContact CG2-CG2 3.56Å; I89-P95 HydrophobicContact CB-CB 3.75Å; I89-P95 HydrophobicContact CG1-CB 4.13Å; I89-P95 HydrophobicContact CG2-CB 3.91Å; I89-F97 HydrophobicContact CB-CE1 4.41Å; I89-F97 HydrophobicContact CG1-CD1 3.74Å; I89-F97 HydrophobicContact CG1-CE1 3.72Å
90	E	89.3	Confident	92.4	Very high	105 Å²	105	46.5 Å²	46.5	49%	0.491	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-98.2	147.4	-170.7	-56.5	-161.4	143.3	0	0	114.1	N65 T92 R125	N65-E90 WeakPolarHBondContact OD1-CA 3.42Å; E90-T92 VanDerWaalsContact C-N 3.3Å; E90-T92 PolarHBondContact O-N 2.7Å; E90-R125 IonicContact OE1-CZ 3.23Å; E90-R125 IonicContact OE1-NE 3.83Å; E90-R125 PolarHBondContact OE1-NE 3.02Å; E90-R125 IonicContact OE1-NH2 2.72Å; E90-R125 PolarHBondContact OE1-NH2 2.93Å
91	G	89.1	Confident	92.5	Very high	38 Å²	38	41.8 Å²	41.8	39%	0.392	22%	0.224	S	C	.	.	S	Bend	trans	61.4	31.9	163.8	0	0	0	0	0	114.8	K63 P64 N65	K63-G91 VanDerWaalsContact CB-C 3.42Å; K63-G91 WeakPolarHBondContact CD-O 3.48Å; P64-G91 PolarHBondContact O-N 3.18Å; P64-G91 VanDerWaalsContact O-N 3.14Å; N65-G91 PolarHBondContact OD1-N 3.24Å
92	T	92.3	Very high	92.6	Very high	36 Å²	36	39.2 Å²	39.2	22%	0.221	21%	0.209	C	C	.	.			trans	-141.3	143.6	-178.6	-174.2	0	0	0	0	112.7	P64 I89 E90 N94 P95	P64-T92 WeakPolarHBondContact CG-O 3.44Å; P64-T92 PolarHBondContact O-N 3.38Å; I89-T92 HydrophobicContact CG2-CG2 3.56Å; E90-T92 VanDerWaalsContact C-N 3.3Å; E90-T92 PolarHBondContact O-N 2.7Å; T92-N94 VanDerWaalsContact C-N 3.32Å; T92-N94 PolarHBondContact OG1-N 3.31Å; T92-N94 VanDerWaalsContact OG1-N 3.13Å; T92-P95 HydrophobicContact CG2-CB 3.94Å
93	N	92.3	Very high	92.4	Very high	54 Å²	54	33.4 Å²	33.4	29%	0.289	18%	0.184	S	C	.	.	S	Bend	trans	-86.9	-8.6	172.8	-59.9	-4.9	0	0	0	111.8	S53 E54 L55 P64 P95	S53-N93 CarbonylContact C-O 3.57Å; E54-N93 PolarHBondContact N-O 3.37Å; L55-N93 PolarHBondContact N-O 3.31Å; P64-N93 WeakPolarHBondContact CD-OD1 3.48Å; N93-P95 VanDerWaalsContact C-CD 3.44Å
94	N	94.6	Very high	92.1	Very high	89 Å²	89	31.5 Å²	31.5	48%	0.476	18%	0.175	S	C	.	.	S	Bend	trans	-128.6	62.7	-176.1	-52.3	-63.5	0	0	0	111.2	C52 S53 E54 T92	C52-N94 CarbonylContact O-C 3.6Å; C52-N94 WeakPolarHBondContact O-CA 3.13Å; S53-N94 VanDerWaalsContact CA-OD1 3.26Å; S53-N94 WeakPolarHBondContact CA-OD1 3.39Å; E54-N94 PolarHBondContact N-OD1 3.04Å; T92-N94 VanDerWaalsContact C-N 3.32Å; T92-N94 PolarHBondContact OG1-N 3.31Å; T92-N94 VanDerWaalsContact OG1-N 3.13Å
95	P	94.1	Very high	91.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.184	C	C	.	.			trans	-70.5	134.8	-178.7	30.4	-36.3	0	0	0	111.5	A51 C52 L55 I89 T92 N93 F97	A51-P95 WeakPolarHBondContact CA-O 3.47Å; C52-P95 HydrophobicContact CB-CG 3.73Å; C52-P95 PolarHBondContact N-O 3.04Å; L55-P95 HydrophobicContact CD1-CG 3.77Å; I89-P95 HydrophobicContact CB-CB 3.75Å; I89-P95 HydrophobicContact CG1-CB 4.13Å; I89-P95 HydrophobicContact CG2-CB 3.91Å; T92-P95 HydrophobicContact CG2-CB 3.94Å; N93-P95 VanDerWaalsContact C-CD 3.44Å; P95-F97 HydrophobicContact CB-CE1 4.29Å; P95-F97 HydrophobicContact CB-CE2 4.17Å; P95-F97 HydrophobicContact CB-CZ 3.81Å; P95-F97 HydrophobicContact CG-CE2 4.13Å; P95-F97 HydrophobicContact CG-CZ 3.91Å
96	I	93.2	Very high	90.5	Very high	115 Å²	115	36.8 Å²	36.8	59%	0.59	20%	0.201	S	C	*	.	B	Isolated β-bridge	trans	-112.8	124	170.3	-58.8	173.4	0	0	0	107.1	A51	A51-I96 HydrophobicContact CB-CG1 4.28Å
97	F	95.1	Very high	89.7	Confident	6 Å²	6	38.6 Å²	38.6	3%	0.026	21%	0.214	C	C	.	.			trans	-96.6	132	-176.9	-56	-78.5	0	0	0	110.3	L50 S66 V68 T86 E87 I89 P95	L50-F97 HydrophobicContact CB-CD2 3.99Å; L50-F97 WeakPolarHBondContact O-CD2 3.3Å; L50-F97 PolarHBondContact O-N 3.25Å; S66-F97 WeakPolarHBondContact O-CE1 3.44Å; V68-F97 HydrophobicContact CG2-CD2 4.21Å; V68-F97 HydrophobicContact CG2-CE2 3.52Å; V68-F97 HydrophobicContact CG2-CZ 3.76Å; T86-F97 HydrophobicContact CG2-CB 4.06Å; T86-F97 HydrophobicContact CG2-CD1 4.2Å; T86-F97 HydrophobicContact CG2-CD2 4.37Å; T86-F97 HydrophobicContact CG2-CG 3.95Å; T86-F97 VanDerWaalsContact OG1-CD1 3.25Å; T86-F97 WeakPolarHBondContact OG1-CD1 3.5Å; T86-F97 WeakPolarHBondContact OG1-CE1 3.39Å; E87-F97 WeakPolarHBondContact O-CD1 3.44Å; E87-F97 VanDerWaalsContact O-CE1 3.25Å; E87-F97 WeakPolarHBondContact O-CE1 3.28Å; I89-F97 HydrophobicContact CB-CE1 4.41Å; I89-F97 HydrophobicContact CG1-CD1 3.74Å; I89-F97 HydrophobicContact CG1-CE1 3.72Å; P95-F97 HydrophobicContact CB-CE1 4.29Å; P95-F97 HydrophobicContact CB-CE2 4.17Å; P95-F97 HydrophobicContact CB-CZ 3.81Å; P95-F97 HydrophobicContact CG-CE2 4.13Å; P95-F97 HydrophobicContact CG-CZ 3.91Å
98	L	93.9	Very high	89	Confident	10 Å²	10	45.5 Å²	45.5	5%	0.052	25%	0.25	C	S	.	.			trans	-83.4	-28	177.1	-58.8	-177.2	0	0	0	112.1	E87 Y233 R234 F235 V924 Q927 A928	E87-L98 WeakPolarHBondContact OE1-CB 3.42Å; E87-L98 PolarHBondContact OE1-N 3.32Å; L98-Y233 WeakPolarHBondContact O-CA 3.42Å; L98-R234 PolarHBondContact O-N 2.86Å; L98-F235 HydrophobicContact CB-CD1 3.83Å; L98-F235 HydrophobicContact CB-CE1 3.69Å; L98-F235 HydrophobicContact CD1-CD1 3.96Å; L98-F235 HydrophobicContact CD1-CE1 3.96Å; L98-F235 HydrophobicContact CD2-CD1 4.31Å; L98-F235 HydrophobicContact CG-CD1 4.26Å; L98-F235 HydrophobicContact CG-CE1 4.39Å; L98-V924 HydrophobicContact CD1-CG1 3.75Å; L98-V924 HydrophobicContact CD2-CG1 4.3Å; L98-Q927 HydrophobicContact CD1-CB 4.06Å; L98-Q927 HydrophobicContact CD1-CG 3.62Å; L98-Q927 HydrophobicContact CG-CG 4.35Å; L98-A928 HydrophobicContact CD1-CB 4.41Å
99	S	94	Very high	88.6	Confident	7 Å²	7	44 Å²	44	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	135.3	171.6	57.3	0	0	0	0	110.7	T86 E87	T86-S99 VanDerWaalsContact CA-OG 3.29Å; T86-S99 WeakPolarHBondContact CA-OG 3.46Å; T86-S99 WeakPolarHBondContact CB-OG 3.37Å; E87-S99 VanDerWaalsContact OE2-CB 3.24Å; E87-S99 WeakPolarHBondContact OE2-CB 3.45Å; E87-S99 PolarHBondContact OE2-N 3.17Å; E87-S99 PolarHBondContact OE2-OG 3.11Å
100	S	92.5	Very high	88.3	Confident	11 Å²	11	44.5 Å²	44.5	8%	0.077	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	143.2	176.3	-63.8	0	0	0	0	110.4	S49 M232 R234	S49-S100 PolarHBondContact OG-OG 3.37Å; S100-M232 PolarHBondContact N-O 3.44Å; S100-R234 VanDerWaalsContact OG-CG 3.28Å; S100-R234 WeakPolarHBondContact OG-CG 3.18Å
101	I	93.4	Very high	88.2	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.5	177.5	-50.8	-60.8	0	0	0	107.3	E47 F48 L50 V70 A84 T86 F103	E47-I101 CarbonylContact C-O 3.44Å; E47-I101 WeakPolarHBondContact CA-O 3.29Å; F48-I101 HydrophobicContact CD2-CB 3.95Å; F48-I101 HydrophobicContact CD2-CG1 4.14Å; F48-I101 HydrophobicContact CE1-CB 4.19Å; F48-I101 HydrophobicContact CE1-CG2 4.07Å; F48-I101 HydrophobicContact CE2-CB 3.56Å; F48-I101 HydrophobicContact CE2-CG1 3.63Å; F48-I101 HydrophobicContact CE2-CG2 3.99Å; F48-I101 HydrophobicContact CG-CB 4.41Å; F48-I101 HydrophobicContact CZ-CB 3.69Å; F48-I101 HydrophobicContact CZ-CG1 4.16Å; F48-I101 HydrophobicContact CZ-CG2 3.6Å; F48-I101 PolarHBondContact N-O 3.03Å; F48-I101 PolarHBondContact O-N 3.43Å; L50-I101 HydrophobicContact CD1-CG1 4.09Å; V70-I101 HydrophobicContact CG1-CG2 4.27Å; V70-I101 HydrophobicContact CG2-CD1 3.75Å; V70-I101 HydrophobicContact CG2-CG1 3.97Å; A84-I101 HydrophobicContact CB-CD1 3.87Å; A84-I101 HydrophobicContact CB-CG2 4.5Å; T86-I101 HydrophobicContact CG2-CD1 4.42Å; I101-F103 HydrophobicContact CG2-CE2 3.85Å; I101-F103 HydrophobicContact CG2-CZ 4.28Å
102	A	90.8	Very high	88.2	Confident	11 Å²	11	43.9 Å²	43.9	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.1	-176.6	0	0	0	0	0	110.6	P44 L46 H83 F104 M232	P44-A102 HydrophobicContact CB-CB 4.04Å; L46-A102 CarbonylContact O-C 3.38Å; L46-A102 WeakPolarHBondContact O-CA 3.19Å; H83-A102 PolarHBondContact NE2-O 3.18Å; A102-F104 HydrophobicContact CB-CE2 3.89Å; A102-F104 HydrophobicContact CB-CZ 3.98Å; A102-M232 HydrophobicContact CB-CB 4.2Å; A102-M232 HydrophobicContact CB-CG 3.9Å; A102-M232 HydrophobicContact CB-SD 3.51Å; A102-M232 VanDerWaalsContact CB-SD 3.51Å
103	F	88.2	Confident	88.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.8	169.8	-65.3	-89.3	0	0	0	108.5	P44 I45 L46 F48 V72 H83 I101 I109	P44-F103 CarbonylContact C-O 3.58Å; P44-F103 WeakPolarHBondContact CA-O 3.46Å; I45-F103 PolarHBondContact N-O 3.23Å; L46-F103 HydrophobicContact CB-CB 4.32Å; L46-F103 HydrophobicContact CB-CD2 4.2Å; L46-F103 HydrophobicContact CD2-CD2 3.93Å; L46-F103 HydrophobicContact CD2-CE2 4.27Å; L46-F103 HydrophobicContact CG-CD2 4.18Å; L46-F103 PolarHBondContact N-O 3.13Å; L46-F103 PolarHBondContact O-N 3.46Å; F48-F103 HydrophobicContact CE1-CD2 4.45Å; F48-F103 AromaticContact CE1-CE2 3.74Å; F48-F103 HydrophobicContact CE1-CE2 3.74Å; F48-F103 HydrophobicContact CZ-CE2 4.28Å; V72-F103 HydrophobicContact CG1-CE1 3.69Å; V72-F103 HydrophobicContact CG1-CZ 3.58Å; H83-F103 HydrophobicContact CB-CE1 4.37Å; H83-F103 AromaticContact CD2-CE1 3.39Å; H83-F103 WeakPolarHBondContact CD2-CE1 3.33Å; H83-F103 AromaticContact CD2-CZ 3.47Å; H83-F103 VanDerWaalsContact CD2-CZ 3.47Å; H83-F103 WeakPolarHBondContact CD2-CZ 3.45Å; H83-F103 AromaticContact CE1-CD1 3.47Å; H83-F103 VanDerWaalsContact CE1-CD1 3.47Å; H83-F103 WeakPolarHBondContact CE1-CD1 3.31Å; H83-F103 AromaticContact CE1-CE1 3.48Å; H83-F103 VanDerWaalsContact CE1-CE1 3.48Å; H83-F103 WeakPolarHBondContact CE1-CE1 3.4Å; H83-F103 AromaticContact CG-CE1 3.55Å; H83-F103 AromaticContact CG-CZ 3.95Å; H83-F103 AromaticContact ND1-CE1 3.64Å; H83-F103 AromaticContact NE2-CD1 3.45Å; H83-F103 WeakPolarHBondContact NE2-CD1 3.46Å; H83-F103 AromaticContact NE2-CE1 3.34Å; H83-F103 VanDerWaalsContact NE2-CE1 3.34Å; H83-F103 WeakPolarHBondContact NE2-CE1 3.44Å; H83-F103 AromaticContact NE2-CG 3.95Å; H83-F103 AromaticContact NE2-CZ 3.73Å; I101-F103 HydrophobicContact CG2-CE2 3.85Å; I101-F103 HydrophobicContact CG2-CZ 4.28Å; F103-I109 HydrophobicContact CB-CD1 3.33Å; F103-I109 HydrophobicContact CB-CG1 3.91Å; F103-I109 HydrophobicContact CD1-CD1 4.05Å; F103-I109 HydrophobicContact CD1-CG1 4.35Å; F103-I109 HydrophobicContact CD1-CG2 3.47Å; F103-I109 VanDerWaalsContact CD1-CG2 3.47Å; F103-I109 HydrophobicContact CD2-CD1 4.07Å; F103-I109 HydrophobicContact CE1-CG2 3.87Å; F103-I109 HydrophobicContact CG-CD1 3.56Å; F103-I109 HydrophobicContact CG-CG1 4.25Å; F103-I109 HydrophobicContact CG-CG2 4.17Å
104	F	84.3	Confident	88.2	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.088	22%	0.224	C	C	.	.			trans	-93.5	173	177.7	-61	-83.8	0	0	0	110.3	D42 P44 A102 D106 S107 C230 M232 L246	D42-F104 WeakPolarHBondContact O-CE1 3.32Å; P44-F104 HydrophobicContact CB-CD1 4.45Å; P44-F104 HydrophobicContact CB-CE1 4.31Å; A102-F104 HydrophobicContact CB-CE2 3.89Å; A102-F104 HydrophobicContact CB-CZ 3.98Å; F104-D106 PolarHBondContact O-N 2.86Å; F104-D106 VanDerWaalsContact O-N 3.1Å; F104-S107 PolarHBondContact N-OG 3.19Å; F104-S107 VanDerWaalsContact N-OG 3.12Å; F104-S107 WeakPolarHBondContact O-CB 3.36Å; F104-S107 PolarHBondContact O-N 2.93Å; F104-S107 PolarHBondContact O-OG 3.41Å; F104-S107 VanDerWaalsContact O-OG 3.11Å; F104-C230 HydrophobicContact CE1-CB 4.29Å; F104-C230 HydrophobicContact CE2-CB 3.77Å; F104-C230 HydrophobicContact CZ-CB 3.59Å; F104-M232 HydrophobicContact CE1-SD 4.32Å; F104-M232 HydrophobicContact CZ-CG 4.15Å; F104-M232 HydrophobicContact CZ-SD 3.99Å; F104-L246 HydrophobicContact CE1-CD1 4.33Å; F104-L246 HydrophobicContact CZ-CD1 4.1Å
105	Q	76.7	Confident	88.2	Confident	66 Å²	66	38.6 Å²	38.6	31%	0.308	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-51.7	-36.2	179.4	-66.2	177.4	0	0	0	113.5	N37 I45 S107	N37-Q105 PolarHBondContact O-NE2 2.98Å; I45-Q105 HydrophobicContact CD1-CB 4.26Å; I45-Q105 HydrophobicContact CD1-CG 3.9Å; I45-Q105 HydrophobicContact CG1-CG 4.04Å; Q105-S107 PolarHBondContact O-N 3.38Å
106	D	74.5	Confident	88.3	Confident	118 Å²	118	41.6 Å²	41.6	63%	0.631	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-73.6	-6	179.1	-48.3	-44.1	0	0	0	114.1	F104 L108 R216	F104-D106 PolarHBondContact O-N 2.86Å; F104-D106 VanDerWaalsContact O-N 3.1Å; D106-L108 VanDerWaalsContact C-N 3.32Å; D106-R216 IonicContact OD2-CZ 3.81Å; D106-R216 IonicContact OD2-NH1 3.22Å; D106-R216 PolarHBondContact OD2-NH1 3.49Å
107	S	78	Confident	88.5	Confident	40 Å²	40	36.1 Å²	36.1	28%	0.28	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-81.6	-9.4	-176.2	-53.6	0	0	0	0	113.8	F104 Q105 I109	F104-S107 PolarHBondContact N-OG 3.19Å; F104-S107 VanDerWaalsContact N-OG 3.12Å; F104-S107 WeakPolarHBondContact O-CB 3.36Å; F104-S107 PolarHBondContact O-N 2.93Å; F104-S107 PolarHBondContact O-OG 3.41Å; F104-S107 VanDerWaalsContact O-OG 3.11Å; Q105-S107 PolarHBondContact O-N 3.38Å; S107-I109 PolarHBondContact O-N 3.33Å; S107-I109 VanDerWaalsContact O-N 3.16Å
108	L	78.6	Confident	88.6	Confident	150 Å²	150	36.2 Å²	36.2	79%	0.785	19%	0.188	S	C	*	.			trans	52.9	35	175.2	-53.7	177.3	0	0	0	114.5	D106	D106-L108 VanDerWaalsContact C-N 3.32Å
109	I	83.6	Confident	88.7	Confident	17 Å²	17	35.7 Å²	35.7	9%	0.087	19%	0.185	C	C	.	.			trans	-86.7	153.9	176.9	60	153.9	0	0	0	111.8	L34 L46 F103 S107 T113	L34-I109 HydrophobicContact CD1-CD1 3.53Å; L34-I109 HydrophobicContact CD1-CG1 3.9Å; L46-I109 HydrophobicContact CB-CD1 3.88Å; L46-I109 HydrophobicContact CD2-CD1 4.07Å; F103-I109 HydrophobicContact CB-CD1 3.33Å; F103-I109 HydrophobicContact CB-CG1 3.91Å; F103-I109 HydrophobicContact CD1-CD1 4.05Å; F103-I109 HydrophobicContact CD1-CG1 4.35Å; F103-I109 HydrophobicContact CD1-CG2 3.47Å; F103-I109 VanDerWaalsContact CD1-CG2 3.47Å; F103-I109 HydrophobicContact CD2-CD1 4.07Å; F103-I109 HydrophobicContact CE1-CG2 3.87Å; F103-I109 HydrophobicContact CG-CD1 3.56Å; F103-I109 HydrophobicContact CG-CG1 4.25Å; F103-I109 HydrophobicContact CG-CG2 4.17Å; S107-I109 PolarHBondContact O-N 3.33Å; S107-I109 VanDerWaalsContact O-N 3.16Å; I109-T113 HydrophobicContact CB-CG2 4.43Å; I109-T113 HydrophobicContact CG2-CG2 4.14Å
110	N	86.4	Confident	88.7	Confident	36 Å²	36	38 Å²	38	19%	0.193	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-138.6	179.3	175.4	68.1	31.4	0	0	0	110.8	L32 T74 M112 T113	L32-N110 WeakPolarHBondContact O-CB 3.25Å; T74-N110 WeakPolarHBondContact CG2-ND2 3.42Å; N110-M112 PolarHBondContact O-N 3.28Å; N110-M112 WeakPolarHBondContact OD1-CA 3.15Å; N110-M112 WeakPolarHBondContact OD1-CB 3.21Å; N110-M112 PolarHBondContact OD1-N 2.9Å; N110-T113 PolarHBondContact N-OG1 3.38Å; N110-T113 VanDerWaalsContact O-CB 3.29Å; N110-T113 WeakPolarHBondContact O-CB 3.38Å; N110-T113 PolarHBondContact O-N 3.05Å; N110-T113 VanDerWaalsContact O-N 3.11Å; N110-T113 PolarHBondContact O-OG1 3.32Å; N110-T113 PolarHBondContact OD1-N 2.84Å; N110-T113 VanDerWaalsContact OD1-N 3.07Å; N110-T113 PolarHBondContact OD1-OG1 3.42Å
111	Q	86.2	Confident	88.7	Confident	50 Å²	50	37.6 Å²	37.6	23%	0.234	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.1	-179.2	-67.8	-176.4	10.3	0	0	113.8	L32 L34 I139 K141 L144	L32-Q111 HydrophobicContact CD2-CB 4.38Å; L32-Q111 WeakPolarHBondContact O-CG 3.46Å; L32-Q111 PolarHBondContact O-N 3.28Å; L34-Q111 HydrophobicContact CD2-CG 3.94Å; Q111-I139 WeakPolarHBondContact O-CG2 3.48Å; Q111-K141 HydrophobicContact CB-CB 4.31Å; Q111-K141 WeakPolarHBondContact O-CB 3.44Å; Q111-K141 PolarHBondContact O-N 3.27Å; Q111-L144 HydrophobicContact CG-CD1 3.91Å
112	M	89.1	Confident	88.5	Confident	81 Å²	81	37.7 Å²	37.7	40%	0.399	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.5	179.7	-61.6	-61.5	-73.6	0	0	113.2	L32 P75 N110 Q114	L32-M112 HydrophobicContact CD1-CG 4.21Å; L32-M112 HydrophobicContact CD2-CG 4.16Å; P75-M112 WeakPolarHBondContact CD-O 3.48Å; N110-M112 PolarHBondContact O-N 3.28Å; N110-M112 WeakPolarHBondContact OD1-CA 3.15Å; N110-M112 WeakPolarHBondContact OD1-CB 3.21Å; N110-M112 PolarHBondContact OD1-N 2.9Å; M112-Q114 PolarHBondContact O-N 3.39Å
113	T	91.6	Very high	88.3	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.			trans	-59.4	128.5	175.2	-62.4	0	0	0	0	109.9	V72 T74 I109 N110 V140	V72-T113 HydrophobicContact CB-CG2 4.21Å; T74-T113 PolarHBondContact OG1-OG1 2.95Å; I109-T113 HydrophobicContact CB-CG2 4.43Å; I109-T113 HydrophobicContact CG2-CG2 4.14Å; N110-T113 PolarHBondContact N-OG1 3.38Å; N110-T113 VanDerWaalsContact O-CB 3.29Å; N110-T113 WeakPolarHBondContact O-CB 3.38Å; N110-T113 PolarHBondContact O-N 3.05Å; N110-T113 VanDerWaalsContact O-N 3.11Å; N110-T113 PolarHBondContact O-OG1 3.32Å; N110-T113 PolarHBondContact OD1-N 2.84Å; N110-T113 VanDerWaalsContact OD1-N 3.07Å; N110-T113 PolarHBondContact OD1-OG1 3.42Å; T113-V140 HydrophobicContact CG2-CG2 4.39Å; T113-V140 WeakPolarHBondContact O-CG2 3.4Å; T113-V140 PolarHBondContact O-N 3.39Å
114	Q	93.5	Very high	87.9	Confident	68 Å²	68	42.2 Å²	42.2	32%	0.318	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.5	174.7	-58.5	-174.3	-18.4	0	0	109.5	V72 T73 W80 M112 T137 I139	V72-Q114 WeakPolarHBondContact CA-O 3.49Å; T73-Q114 HydrophobicContact CG2-CB 3.92Å; T73-Q114 PolarHBondContact N-O 3.01Å; T73-Q114 PolarHBondContact O-N 3.2Å; W80-Q114 HydrophobicContact CH2-CB 3.96Å; W80-Q114 HydrophobicContact CZ3-CB 4.47Å; M112-Q114 PolarHBondContact O-N 3.39Å; Q114-T137 HydrophobicContact CB-CG2 4.48Å; Q114-I139 HydrophobicContact CG-CG1 4.32Å
115	V	95.3	Very high	87.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.7	-179.9	-176.9	0	0	0	0	108.8	F48 V70 V72 L117 T137 F138 V140	F48-V115 HydrophobicContact CZ-CG1 4.22Å; V70-V115 HydrophobicContact CG1-CG1 3.67Å; V72-V115 HydrophobicContact CG1-CG1 4.49Å; V72-V115 HydrophobicContact CG1-CG2 4.15Å; V115-L117 HydrophobicContact CG1-CD2 4Å; V115-T137 VanDerWaalsContact O-CA 3.27Å; V115-T137 WeakPolarHBondContact O-CA 3.43Å; V115-T137 WeakPolarHBondContact O-CG2 3.13Å; V115-F138 HydrophobicContact CB-CD1 4.06Å; V115-F138 HydrophobicContact CB-CE1 3.57Å; V115-F138 HydrophobicContact CB-CE2 4.23Å; V115-F138 HydrophobicContact CB-CZ 3.66Å; V115-F138 HydrophobicContact CG1-CD1 4.44Å; V115-F138 HydrophobicContact CG1-CE1 3.62Å; V115-F138 HydrophobicContact CG1-CZ 3.86Å; V115-F138 HydrophobicContact CG2-CE1 4.37Å; V115-F138 HydrophobicContact CG2-CE2 4.25Å; V115-F138 HydrophobicContact CG2-CZ 3.95Å; V115-F138 PolarHBondContact N-O 2.98Å; V115-F138 PolarHBondContact O-N 3.4Å; V115-V140 HydrophobicContact CG2-CG2 4Å
116	K	95.8	Very high	87.2	Confident	64 Å²	64	44.5 Å²	44.5	28%	0.278	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.2	174.5	179.5	176.6	-179.2	176.7	0	109.8	S71 W80	S71-K116 PolarHBondContact N-O 3.46Å; S71-K116 PolarHBondContact O-N 3.33Å; W80-K116 HydrophobicContact CD2-CB 4.4Å; W80-K116 HydrophobicContact CE3-CB 3.79Å; W80-K116 HydrophobicContact CH2-CB 3.55Å; W80-K116 HydrophobicContact CZ2-CB 4.17Å; W80-K116 HydrophobicContact CZ2-CD 4.48Å; W80-K116 HydrophobicContact CZ3-CB 3.32Å
117	L	97.3	Very high	87	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.5	175.2	-54.6	178.2	0	0	0	108.2	F48 L50 V68 V70 V115 S135 G136 F138 L153 I166 V168	F48-L117 HydrophobicContact CE2-CD2 4.48Å; L50-L117 HydrophobicContact CD1-CD2 4.22Å; L50-L117 HydrophobicContact CD2-CD1 3.84Å; L50-L117 HydrophobicContact CD2-CD2 4.34Å; V68-L117 HydrophobicContact CG1-CB 4.03Å; V68-L117 HydrophobicContact CG1-CD2 4.37Å; V70-L117 HydrophobicContact CB-CD2 4.38Å; V70-L117 HydrophobicContact CG1-CD2 4.05Å; V70-L117 HydrophobicContact CG2-CD2 3.77Å; V115-L117 HydrophobicContact CG1-CD2 4Å; L117-S135 CarbonylContact O-C 3.59Å; L117-S135 WeakPolarHBondContact O-CA 3.31Å; L117-S135 WeakPolarHBondContact O-CB 3.46Å; L117-G136 PolarHBondContact N-O 2.98Å; L117-G136 PolarHBondContact O-N 2.77Å; L117-F138 HydrophobicContact CD1-CD1 4.33Å; L117-F138 HydrophobicContact CD1-CE1 3.98Å; L117-F138 HydrophobicContact CD2-CE1 4.46Å; L117-F138 HydrophobicContact CG-CE1 4.2Å; L117-L153 HydrophobicContact CD1-CD1 4.32Å; L117-I166 HydrophobicContact CB-CD1 4.06Å; L117-I166 HydrophobicContact CD1-CD1 3.76Å; L117-I166 HydrophobicContact CD1-CG1 4.28Å; L117-I166 HydrophobicContact CD1-CG2 4.28Å; L117-I166 HydrophobicContact CG-CD1 4.49Å; L117-V168 HydrophobicContact CD1-CG2 3.58Å
118	S	96.7	Very high	86.9	Confident	7 Å²	7	46.7 Å²	46.7	5%	0.049	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.9	179.9	-56.5	0	0	0	0	109.4	V68 A69 Y120	V68-S118 WeakPolarHBondContact CA-O 3.41Å; A69-S118 PolarHBondContact N-O 2.94Å; A69-S118 PolarHBondContact O-N 3.29Å; S118-Y120 WeakPolarHBondContact O-CD2 3.43Å
119	V	96.2	Very high	87.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.2	-177	-173.3	0	0	0	0	109.3	L55 F67 V68 L133 G134 L155 I166	L55-V119 HydrophobicContact CD1-CG1 4.24Å; L55-V119 HydrophobicContact CD2-CG1 4.42Å; F67-V119 WeakPolarHBondContact O-CA 3.04Å; V68-V119 HydrophobicContact CG1-CG2 4.46Å; V68-V119 HydrophobicContact CG2-CG2 4.16Å; V119-L133 HydrophobicContact CG1-CD1 4.29Å; V119-L133 WeakPolarHBondContact O-CB 3.41Å; V119-L133 PolarHBondContact O-N 3.31Å; V119-G134 PolarHBondContact N-O 2.96Å; V119-G134 PolarHBondContact O-N 3Å; V119-L155 HydrophobicContact CB-CD1 4.32Å; V119-L155 HydrophobicContact CG2-CD1 3.65Å; V119-L155 HydrophobicContact CG2-CD2 3.79Å; V119-L155 HydrophobicContact CG2-CG 4.39Å; V119-I166 HydrophobicContact CG2-CD1 4.23Å
120	Y	94	Very high	87.4	Confident	56 Å²	56	45.3 Å²	45.3	22%	0.22	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.5	-179.1	-68.7	-93.6	0	0	0	111.1	S66 F67 A69 S118 M130 Y131 L132	S66-Y120 VanDerWaalsContact CA-O 3.23Å; S66-Y120 WeakPolarHBondContact CA-O 3.26Å; F67-Y120 VanDerWaalsContact CE1-CB 3.42Å; F67-Y120 HydrophobicContact CE1-CD2 4.38Å; F67-Y120 HydrophobicContact CE1-CG 4.07Å; F67-Y120 AromaticContact CE2-CD2 3.9Å; F67-Y120 HydrophobicContact CE2-CD2 3.9Å; F67-Y120 HydrophobicContact CE2-CG 4.4Å; F67-Y120 AromaticContact CZ-CD2 3.73Å; F67-Y120 HydrophobicContact CZ-CD2 3.73Å; F67-Y120 AromaticContact CZ-CG 3.77Å; F67-Y120 HydrophobicContact CZ-CG 3.77Å; F67-Y120 PolarHBondContact N-O 2.87Å; F67-Y120 PolarHBondContact O-N 2.75Å; A69-Y120 HydrophobicContact CB-CD2 4.27Å; A69-Y120 HydrophobicContact CB-CE2 3.81Å; S118-Y120 WeakPolarHBondContact O-CD2 3.43Å; Y120-M130 HydrophobicContact CD1-CE 4.22Å; Y120-M130 HydrophobicContact CD1-CG 4.2Å; Y120-M130 HydrophobicContact CD1-SD 4.35Å; Y120-M130 HydrophobicContact CE1-CE 4.22Å; Y120-Y131 CarbonylContact C-O 3.49Å; Y120-Y131 VanDerWaalsContact CA-O 3.23Å; Y120-Y131 WeakPolarHBondContact CA-O 3.4Å; Y120-L132 HydrophobicContact CD1-CB 4.15Å; Y120-L132 HydrophobicContact CD1-CD1 4.37Å; Y120-L132 HydrophobicContact CE1-CB 3.86Å; Y120-L132 HydrophobicContact CE1-CD1 3.98Å; Y120-L132 HydrophobicContact CE2-CD1 4.12Å
121	D	92.6	Very high	87.6	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.9	166.6	-179.4	31	0	0	0	110	R62 P64 N65 K123 M130 Y131 L133	R62-D121 IonicContact CZ-OD1 3.85Å; R62-D121 IonicContact CZ-OD2 3.69Å; R62-D121 IonicContact NE-OD2 2.68Å; R62-D121 IonicContact NH2-OD1 2.8Å; R62-D121 PolarHBondContact NH2-OD1 2.92Å; R62-D121 IonicContact NH2-OD2 3.6Å; R62-D121 PolarHBondContact NH2-OD2 3.06Å; P64-D121 WeakPolarHBondContact CA-OD1 3.46Å; P64-D121 HydrophobicContact CB-CB 4.31Å; N65-D121 PolarHBondContact N-OD1 2.98Å; N65-D121 CarbonylContact O-C 3.53Å; N65-D121 WeakPolarHBondContact O-CA 3.37Å; D121-K123 VanDerWaalsContact OD2-CE 3.24Å; D121-K123 WeakPolarHBondContact OD2-CE 3.09Å; D121-K123 IonicContact OD2-NZ 2.67Å; D121-K123 PolarHBondContact OD2-NZ 2.85Å; D121-M130 CarbonylContact O-C 3.56Å; D121-M130 VanDerWaalsContact O-CA 3.29Å; D121-M130 WeakPolarHBondContact O-CA 3.37Å; D121-Y131 PolarHBondContact N-O 3Å; D121-Y131 PolarHBondContact O-N 3.27Å; D121-L133 HydrophobicContact CB-CD1 3.95Å; D121-L133 HydrophobicContact CB-CD2 3.79Å; D121-L133 HydrophobicContact CB-CG 3.78Å
122	V	89	Confident	87.9	Confident	6 Å²	6	51.9 Å²	51.9	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.3	179.2	-174.1	0	0	0	0	109.4	R62 N65 F67 I88 R125 M130	R62-V122 PolarHBondContact NH2-O 3.47Å; N65-V122 HydrophobicContact CB-CB 4.27Å; N65-V122 WeakPolarHBondContact CB-O 3.35Å; N65-V122 PolarHBondContact ND2-O 3.24Å; N65-V122 PolarHBondContact O-N 3.38Å; F67-V122 HydrophobicContact CD1-CG2 3.6Å; F67-V122 HydrophobicContact CE1-CG2 3.76Å; I88-V122 HydrophobicContact CD1-CG2 4.04Å; I88-V122 HydrophobicContact CG1-CG2 4.24Å; I88-V122 HydrophobicContact CG2-CB 4.5Å; I88-V122 HydrophobicContact CG2-CG2 4.15Å; V122-R125 HydrophobicContact CG1-CG 3.74Å; V122-M130 HydrophobicContact CG2-CB 4.45Å
123	K	86.6	Confident	88	Confident	58 Å²	58	48.6 Å²	48.6	25%	0.252	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-50.4	175.5	-63.5	-64.9	175.6	-162.2	0	111.5	D121 T129 Y131	D121-K123 VanDerWaalsContact OD2-CE 3.24Å; D121-K123 WeakPolarHBondContact OD2-CE 3.09Å; D121-K123 IonicContact OD2-NZ 2.67Å; D121-K123 PolarHBondContact OD2-NZ 2.85Å; K123-T129 HydrophobicContact CB-CG2 4.32Å; K123-T129 PolarHBondContact N-O 2.9Å; K123-Y131 HydrophobicContact CD-CD2 4.35Å; K123-Y131 HydrophobicContact CD-CE2 4.36Å; K123-Y131 HydrophobicContact CG-CD2 3.67Å; K123-Y131 HydrophobicContact CG-CE2 3.57Å
124	D	80.1	Confident	88.1	Confident	48 Å²	48	48.6 Å²	48.6	26%	0.257	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	109	-179.8	-173.5	-18.3	0	0	0	109.5	S126 Q127 G128 T129	D124-S126 VanDerWaalsContact C-N 3.28Å; D124-S126 PolarHBondContact O-N 2.91Å; D124-S126 WeakPolarHBondContact OD1-CA 3.31Å; D124-S126 VanDerWaalsContact OD1-CB 3.32Å; D124-S126 WeakPolarHBondContact OD1-CB 3.48Å; D124-S126 PolarHBondContact OD1-N 3.41Å; D124-S126 PolarHBondContact OD1-OG 3.37Å; D124-S126 PolarHBondContact OD2-OG 3.17Å; D124-Q127 HydrophobicContact CB-CB 4.18Å; D124-Q127 PolarHBondContact OD1-N 2.96Å; D124-Q127 VanDerWaalsContact OD2-CD 3.26Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.19Å; D124-G128 CarbonylContact O-C 3.54Å; D124-G128 WeakPolarHBondContact O-CA 3.43Å; D124-G128 PolarHBondContact O-N 3.36Å; D124-T129 PolarHBondContact N-O 3.27Å; D124-T129 PolarHBondContact O-N 2.91Å
125	R	77.3	Confident	88.2	Confident	49 Å²	49	47 Å²	47	19%	0.185	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-32	177.4	-68.8	-179.1	177	-133.2	-1.5	112.5	I88 E90 V122 E969	I88-R125 VanDerWaalsContact CG2-NH2 3.28Å; I88-R125 PolarHBondContact O-NH2 3.37Å; E90-R125 IonicContact OE1-CZ 3.23Å; E90-R125 IonicContact OE1-NE 3.83Å; E90-R125 PolarHBondContact OE1-NE 3.02Å; E90-R125 IonicContact OE1-NH2 2.72Å; E90-R125 PolarHBondContact OE1-NH2 2.93Å; V122-R125 HydrophobicContact CG1-CG 3.74Å; R125-E969 PolarHBondContact NH1-O 2.88Å
126	S	69.1	Low	88.2	Confident	84 Å²	84	47.4 Å²	47.4	59%	0.587	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-40.7	-176.2	75.2	0	0	0	0	111.6	D124	D124-S126 VanDerWaalsContact C-N 3.28Å; D124-S126 PolarHBondContact O-N 2.91Å; D124-S126 WeakPolarHBondContact OD1-CA 3.31Å; D124-S126 VanDerWaalsContact OD1-CB 3.32Å; D124-S126 WeakPolarHBondContact OD1-CB 3.48Å; D124-S126 PolarHBondContact OD1-N 3.41Å; D124-S126 PolarHBondContact OD1-OG 3.37Å; D124-S126 PolarHBondContact OD2-OG 3.17Å
127	Q	71.2	Confident	88.1	Confident	151 Å²	151	47.6 Å²	47.6	71%	0.706	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-14.7	177	-65.2	-174.9	3.1	0	0	113.2	D124 T129	D124-Q127 HydrophobicContact CB-CB 4.18Å; D124-Q127 PolarHBondContact OD1-N 2.96Å; D124-Q127 VanDerWaalsContact OD2-CD 3.26Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.19Å; Q127-T129 VanDerWaalsContact C-N 3.32Å
128	G	74.8	Confident	88	Confident	53 Å²	53	48 Å²	48	55%	0.546	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	20.6	-177.2	0	0	0	0	0	113.4	D124 M130	D124-G128 CarbonylContact O-C 3.54Å; D124-G128 WeakPolarHBondContact O-CA 3.43Å; D124-G128 PolarHBondContact O-N 3.36Å; G128-M130 PolarHBondContact O-N 2.97Å
129	T	84	Confident	87.9	Confident	49 Å²	49	50 Å²	50	30%	0.301	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.1	-178.5	-53.1	0	0	0	0	109.8	K123 D124 Q127 Y131	K123-T129 HydrophobicContact CB-CG2 4.32Å; K123-T129 PolarHBondContact N-O 2.9Å; D124-T129 PolarHBondContact N-O 3.27Å; D124-T129 PolarHBondContact O-N 2.91Å; Q127-T129 VanDerWaalsContact C-N 3.32Å; T129-Y131 HydrophobicContact CG2-CE2 4.45Å
130	M	89.4	Confident	87.6	Confident	89 Å²	89	50.1 Å²	50.1	44%	0.438	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	149.9	-179.7	66.3	-171	-165.3	0	0	111.3	F67 Y120 D121 V122 G128	F67-M130 HydrophobicContact CE1-SD 3.65Å; F67-M130 HydrophobicContact CZ-CE 4.23Å; F67-M130 HydrophobicContact CZ-SD 3.51Å; F67-M130 VanDerWaalsContact CZ-SD 3.51Å; Y120-M130 HydrophobicContact CD1-CE 4.22Å; Y120-M130 HydrophobicContact CD1-CG 4.2Å; Y120-M130 HydrophobicContact CD1-SD 4.35Å; Y120-M130 HydrophobicContact CE1-CE 4.22Å; D121-M130 CarbonylContact O-C 3.56Å; D121-M130 VanDerWaalsContact O-CA 3.29Å; D121-M130 WeakPolarHBondContact O-CA 3.37Å; V122-M130 HydrophobicContact CG2-CB 4.45Å; G128-M130 PolarHBondContact O-N 2.97Å
131	Y	89.6	Confident	87.4	Confident	142 Å²	142	51 Å²	51	56%	0.557	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.3	178	-63.7	-72.7	0	0	0	110.6	Y120 D121 K123 T129 L133	Y120-Y131 CarbonylContact C-O 3.49Å; Y120-Y131 VanDerWaalsContact CA-O 3.23Å; Y120-Y131 WeakPolarHBondContact CA-O 3.4Å; D121-Y131 PolarHBondContact N-O 3Å; D121-Y131 PolarHBondContact O-N 3.27Å; K123-Y131 HydrophobicContact CD-CD2 4.35Å; K123-Y131 HydrophobicContact CD-CE2 4.36Å; K123-Y131 HydrophobicContact CG-CD2 3.67Å; K123-Y131 HydrophobicContact CG-CE2 3.57Å; T129-Y131 HydrophobicContact CG2-CE2 4.45Å; Y131-L133 PolarHBondContact O-N 3.27Å
132	L	92.3	Very high	87.3	Confident	82 Å²	82	54.3 Å²	54.3	43%	0.429	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	119.2	172.1	179.2	68.2	0	0	0	108.6	Y120	Y120-L132 HydrophobicContact CD1-CB 4.15Å; Y120-L132 HydrophobicContact CD1-CD1 4.37Å; Y120-L132 HydrophobicContact CE1-CB 3.86Å; Y120-L132 HydrophobicContact CE1-CD1 3.98Å; Y120-L132 HydrophobicContact CE2-CD1 4.12Å
133	L	91.6	Very high	87.3	Confident	13 Å²	13	54 Å²	54	7%	0.068	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-51.4	171.7	-68.8	179.2	0	0	0	110	T57 P64 V119 D121 Y131 V163	T57-L133 HydrophobicContact CG2-CD2 4.02Å; P64-L133 HydrophobicContact CB-CD1 4.16Å; V119-L133 HydrophobicContact CG1-CD1 4.29Å; V119-L133 WeakPolarHBondContact O-CB 3.41Å; V119-L133 PolarHBondContact O-N 3.31Å; D121-L133 HydrophobicContact CB-CD1 3.95Å; D121-L133 HydrophobicContact CB-CD2 3.79Å; D121-L133 HydrophobicContact CB-CG 3.78Å; Y131-L133 PolarHBondContact O-N 3.27Å; L133-V163 WeakPolarHBondContact O-CG2 3.33Å
134	G	93.6	Very high	87.2	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176	173.6	178	0	0	0	0	0	112.8	V119 R156	V119-G134 PolarHBondContact N-O 2.96Å; V119-G134 PolarHBondContact O-N 3Å; G134-R156 CarbonylContact C-O 3.6Å; G134-R156 WeakPolarHBondContact CA-O 3.5Å
135	S	95.4	Very high	87.4	Confident	33 Å²	33	57.5 Å²	57.5	23%	0.231	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155.3	178.5	64.4	0	0	0	0	112.8	L117 R156	L117-S135 CarbonylContact O-C 3.59Å; L117-S135 WeakPolarHBondContact O-CA 3.31Å; L117-S135 WeakPolarHBondContact O-CB 3.46Å; S135-R156 PolarHBondContact N-O 2.92Å; S135-R156 PolarHBondContact O-N 2.82Å
136	G	95.1	Very high	87.9	Confident	9 Å²	9	57.7 Å²	57.7	9%	0.093	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	151.8	171.6	0	0	0	0	0	110	L117	L117-G136 PolarHBondContact N-O 2.98Å; L117-G136 PolarHBondContact O-N 2.77Å
137	T	94.9	Very high	88.4	Confident	69 Å²	69	64.7 Å²	64.7	42%	0.423	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.9	-178.6	-55	0	0	0	0	109.6	W80 Q114 V115	W80-T137 HydrophobicContact CH2-CG2 3.94Å; Q114-T137 HydrophobicContact CB-CG2 4.48Å; V115-T137 VanDerWaalsContact O-CA 3.27Å; V115-T137 WeakPolarHBondContact O-CA 3.43Å; V115-T137 WeakPolarHBondContact O-CG2 3.13Å
138	F	94.9	Very high	88.9	Confident	7 Å²	7	64.9 Å²	64.9	3%	0.031	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	162.8	172.2	70.4	-82.6	0	0	0	110.8	F48 V115 L117 L143 L151 L153 V168	F48-F138 HydrophobicContact CE1-CZ 4.2Å; F48-F138 HydrophobicContact CZ-CZ 4.2Å; V115-F138 HydrophobicContact CB-CD1 4.06Å; V115-F138 HydrophobicContact CB-CE1 3.57Å; V115-F138 HydrophobicContact CB-CE2 4.23Å; V115-F138 HydrophobicContact CB-CZ 3.66Å; V115-F138 HydrophobicContact CG1-CD1 4.44Å; V115-F138 HydrophobicContact CG1-CE1 3.62Å; V115-F138 HydrophobicContact CG1-CZ 3.86Å; V115-F138 HydrophobicContact CG2-CE1 4.37Å; V115-F138 HydrophobicContact CG2-CE2 4.25Å; V115-F138 HydrophobicContact CG2-CZ 3.95Å; V115-F138 PolarHBondContact N-O 2.98Å; V115-F138 PolarHBondContact O-N 3.4Å; L117-F138 HydrophobicContact CD1-CD1 4.33Å; L117-F138 HydrophobicContact CD1-CE1 3.98Å; L117-F138 HydrophobicContact CD2-CE1 4.46Å; L117-F138 HydrophobicContact CG-CE1 4.2Å; F138-L143 HydrophobicContact CD2-CB 4.41Å; F138-L143 HydrophobicContact CE2-CB 4.16Å; F138-L143 HydrophobicContact CE2-CD2 4.1Å; F138-L151 HydrophobicContact CB-CD1 3.98Å; F138-L151 HydrophobicContact CD2-CD1 3.63Å; F138-L151 HydrophobicContact CE2-CD1 4.33Å; F138-L151 HydrophobicContact CG-CD1 3.91Å; F138-L153 HydrophobicContact CB-CD1 4.04Å; F138-L153 HydrophobicContact CB-CD2 4.35Å; F138-L153 HydrophobicContact CD1-CD1 3.79Å; F138-L153 HydrophobicContact CG-CD1 4.29Å; F138-V168 HydrophobicContact CD1-CG2 4.45Å; F138-V168 HydrophobicContact CE1-CG1 4.43Å; F138-V168 HydrophobicContact CE1-CG2 4.1Å; F138-V168 HydrophobicContact CZ-CG1 4.15Å
139	I	93.4	Very high	89.5	Confident	51 Å²	51	64.6 Å²	64.6	26%	0.262	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	138.7	173.2	-52.6	-177.3	0	0	0	108.2	Q111 Q114 K141 D142	Q111-I139 WeakPolarHBondContact O-CG2 3.48Å; Q114-I139 HydrophobicContact CG-CG1 4.32Å; I139-K141 HydrophobicContact CG2-CB 4.16Å; I139-K141 PolarHBondContact O-N 3.36Å; I139-K141 VanDerWaalsContact O-N 3.17Å; I139-D142 PolarHBondContact N-OD2 3.46Å; I139-D142 WeakPolarHBondContact O-CB 3.44Å; I139-D142 PolarHBondContact O-N 3.07Å
140	V	90.7	Very high	89.9	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-53.3	-39.6	-179	169.5	0	0	0	0	112	L34 L46 T113 V115 D142 L143 L144	L34-V140 HydrophobicContact CD1-CG1 4.17Å; L34-V140 HydrophobicContact CD2-CG1 4.45Å; L46-V140 HydrophobicContact CD2-CG1 3.99Å; L46-V140 HydrophobicContact CD2-CG2 3.96Å; T113-V140 HydrophobicContact CG2-CG2 4.39Å; T113-V140 WeakPolarHBondContact O-CG2 3.4Å; T113-V140 PolarHBondContact O-N 3.39Å; V115-V140 HydrophobicContact CG2-CG2 4Å; V140-D142 PolarHBondContact O-N 3.44Å; V140-L143 WeakPolarHBondContact O-CB 3.49Å; V140-L143 PolarHBondContact O-N 3.06Å; V140-L143 VanDerWaalsContact O-N 3.12Å; V140-L144 HydrophobicContact CG1-CD1 3.93Å; V140-L144 HydrophobicContact CG1-CG 4.31Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 3.4Å
141	K	89.5	Confident	90.1	Very high	74 Å²	74	64.8 Å²	64.8	32%	0.322	30%	0.301	S	S	.	.	H	α-helix	trans	-50.8	-39.9	173.5	-174.9	174.8	177.5	176.8	0	113.7	Q111 I139 L143 L144 Q145	Q111-K141 HydrophobicContact CB-CB 4.31Å; Q111-K141 WeakPolarHBondContact O-CB 3.44Å; Q111-K141 PolarHBondContact O-N 3.27Å; I139-K141 HydrophobicContact CG2-CB 4.16Å; I139-K141 PolarHBondContact O-N 3.36Å; I139-K141 VanDerWaalsContact O-N 3.17Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 PolarHBondContact O-N 3.03Å; K141-L144 PolarHBondContact O-N 3.44Å; K141-Q145 HydrophobicContact CG-CG 4.27Å; K141-Q145 WeakPolarHBondContact O-CB 3.42Å; K141-Q145 WeakPolarHBondContact O-CG 3.5Å; K141-Q145 PolarHBondContact O-N 2.71Å
142	D	90	Very high	90.3	Very high	72 Å²	72	63.6 Å²	63.6	39%	0.385	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-36.5	-177.3	-55.3	-26.6	0	0	0	111.1	I139 V140 D146 L151	I139-D142 PolarHBondContact N-OD2 3.46Å; I139-D142 WeakPolarHBondContact O-CB 3.44Å; I139-D142 PolarHBondContact O-N 3.07Å; V140-D142 PolarHBondContact O-N 3.44Å; D142-D146 PolarHBondContact O-N 3.4Å; D142-L151 HydrophobicContact CB-CD1 4.34Å
143	L	88.9	Confident	90.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-36.6	177	-176.9	64.3	0	0	0	111.7	L46 F48 F138 V140 K141 H149 L151 V168	L46-L143 HydrophobicContact CD1-CD2 4.07Å; F48-L143 HydrophobicContact CB-CD2 4.43Å; F48-L143 HydrophobicContact CD1-CD2 4.32Å; F138-L143 HydrophobicContact CD2-CB 4.41Å; F138-L143 HydrophobicContact CE2-CB 4.16Å; F138-L143 HydrophobicContact CE2-CD2 4.1Å; V140-L143 WeakPolarHBondContact O-CB 3.49Å; V140-L143 PolarHBondContact O-N 3.06Å; V140-L143 VanDerWaalsContact O-N 3.12Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-L143 PolarHBondContact O-N 3.03Å; L143-H149 VanDerWaalsContact CD1-O 3.26Å; L143-H149 WeakPolarHBondContact CD1-O 3.37Å; L143-H149 PolarHBondContact O-ND1 3.42Å; L143-L151 HydrophobicContact CB-CD1 3.79Å; L143-L151 HydrophobicContact CB-CG 4.35Å; L143-L151 HydrophobicContact CD1-CD1 4.02Å; L143-L151 HydrophobicContact CD1-CG 3.82Å; L143-V168 HydrophobicContact CD1-CG1 4.17Å; L143-V168 HydrophobicContact CD2-CG1 4.15Å
144	L	85.5	Confident	90.6	Very high	45 Å²	45	63.5 Å²	63.5	24%	0.236	30%	0.303	C	S	.	.	H	α-helix	trans	-71	-35.1	178.8	-64.1	168.6	0	0	0	112.6	L34 Q111 V140 K141 M173	L34-L144 HydrophobicContact CD2-CD1 3.5Å; L34-L144 VanDerWaalsContact CD2-CD1 3.5Å; L34-L144 HydrophobicContact CD2-CD2 4.4Å; Q111-L144 HydrophobicContact CG-CD1 3.91Å; V140-L144 HydrophobicContact CG1-CD1 3.93Å; V140-L144 HydrophobicContact CG1-CG 4.31Å; V140-L144 WeakPolarHBondContact O-CG 3.47Å; V140-L144 PolarHBondContact O-N 3.4Å; K141-L144 PolarHBondContact O-N 3.44Å; L144-M173 HydrophobicContact CD2-CE 3.23Å; L144-M173 HydrophobicContact CD2-SD 3.57Å; L144-M173 VanDerWaalsContact CD2-SD 3.57Å
145	Q	84.8	Confident	90.6	Very high	134 Å²	134	63.5 Å²	63.5	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-82.2	-18.7	-177.4	-71.1	-173.7	-24	0	0	113.6	K141	K141-Q145 HydrophobicContact CG-CG 4.27Å; K141-Q145 WeakPolarHBondContact O-CB 3.42Å; K141-Q145 WeakPolarHBondContact O-CG 3.5Å; K141-Q145 PolarHBondContact O-N 2.71Å
146	D	86.7	Confident	90.5	Very high	53 Å²	53	68.2 Å²	68.2	28%	0.283	32%	0.316	S	S	.	.	S	Bend	trans	-67.7	133.2	176.1	-175.5	-98.3	0	0	0	111.5	D142 H148 H149 R150 L151	D142-D146 PolarHBondContact O-N 3.4Å; D146-H148 PolarHBondContact O-N 2.89Å; D146-H148 WeakPolarHBondContact OD1-CA 3.46Å; D146-H148 PolarHBondContact OD1-N 3.3Å; D146-H149 PolarHBondContact O-N 2.97Å; D146-H149 PolarHBondContact O-ND1 2.74Å; D146-H149 PolarHBondContact OD1-N 3.29Å; D146-R150 PolarHBondContact OD1-N 2.97Å; D146-L151 HydrophobicContact CB-CD2 4.39Å
147	R	79.8	Confident	90.3	Very high	232 Å²	232	68.6 Å²	68.6	88%	0.875	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.1	-175	-67	-175.4	-180	-171.4	-0.3	114.1
148	H	82.1	Confident	89.8	Confident	154 Å²	154	69.8 Å²	69.8	71%	0.713	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	8.3	179.2	-61.2	-58.1	0	0	0	111.6	D146 R150	D146-H148 PolarHBondContact O-N 2.89Å; D146-H148 WeakPolarHBondContact OD1-CA 3.46Å; D146-H148 PolarHBondContact OD1-N 3.3Å; H148-R150 HydrophobicContact CB-CB 4.24Å; H148-R150 PolarHBondContact O-N 2.97Å; H148-R150 VanDerWaalsContact O-N 3.12Å
149	H	87.6	Confident	89.4	Confident	48 Å²	48	76.3 Å²	76.3	22%	0.222	36%	0.364	C	S	.	.	S	Bend	trans	46.9	38.3	-172.1	-55.3	-65.8	0	0	0	112.1	L143 D146 G170 M173	L143-H149 VanDerWaalsContact CD1-O 3.26Å; L143-H149 WeakPolarHBondContact CD1-O 3.37Å; L143-H149 PolarHBondContact O-ND1 3.42Å; D146-H149 PolarHBondContact O-N 2.97Å; D146-H149 PolarHBondContact O-ND1 2.74Å; D146-H149 PolarHBondContact OD1-N 3.29Å; H149-G170 PolarHBondContact O-N 3.16Å; H149-M173 HydrophobicContact CB-CG 4.1Å; H149-M173 HydrophobicContact CB-SD 4.29Å; H149-M173 VanDerWaalsContact CE1-CB 3.46Å; H149-M173 WeakPolarHBondContact CE1-CB 3.44Å
150	R	92.1	Very high	89	Confident	116 Å²	116	77.5 Å²	77.5	44%	0.438	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.8	-172.3	-175.4	174.5	173.8	161.2	5.1	110.8	D146 H148 H152 T167 V168 I169	D146-R150 PolarHBondContact OD1-N 2.97Å; H148-R150 HydrophobicContact CB-CB 4.24Å; H148-R150 PolarHBondContact O-N 2.97Å; H148-R150 VanDerWaalsContact O-N 3.12Å; R150-H152 PolarHBondContact NE-CE1 3.45Å; R150-H152 VanDerWaalsContact NE-CE1 3.3Å; R150-H152 PolarHBondContact NE-NE2 3.37Å; R150-H152 PolarHBondContact NH2-CE1 3.31Å; R150-T167 HydrophobicContact CG-CG2 3.89Å; R150-V168 CarbonylContact C-O 3.59Å; R150-V168 VanDerWaalsContact CA-O 3.3Å; R150-V168 WeakPolarHBondContact CA-O 3.39Å; R150-I169 HydrophobicContact CG-CG1 4.38Å
151	L	93.5	Very high	88.9	Confident	25 Å²	25	82.3 Å²	82.3	13%	0.131	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.4	176.6	-61.3	177.7	0	0	0	111.1	F138 D142 L143 D146 T167 V168	F138-L151 HydrophobicContact CB-CD1 3.98Å; F138-L151 HydrophobicContact CD2-CD1 3.63Å; F138-L151 HydrophobicContact CE2-CD1 4.33Å; F138-L151 HydrophobicContact CG-CD1 3.91Å; D142-L151 HydrophobicContact CB-CD1 4.34Å; L143-L151 HydrophobicContact CB-CD1 3.79Å; L143-L151 HydrophobicContact CB-CG 4.35Å; L143-L151 HydrophobicContact CD1-CD1 4.02Å; L143-L151 HydrophobicContact CD1-CG 3.82Å; D146-L151 HydrophobicContact CB-CD2 4.39Å; L151-T167 CarbonylContact O-C 3.4Å; L151-T167 WeakPolarHBondContact O-CA 3.45Å; L151-V168 HydrophobicContact CB-CB 4.26Å; L151-V168 PolarHBondContact N-O 3.29Å; L151-V168 PolarHBondContact O-N 2.97Å
152	H	93.5	Very high	89	Confident	117 Å²	117	85.6 Å²	85.6	54%	0.542	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	111	173.2	-70.9	-75.3	0	0	0	109.4	R150 T167	R150-H152 PolarHBondContact NE-CE1 3.45Å; R150-H152 VanDerWaalsContact NE-CE1 3.3Å; R150-H152 PolarHBondContact NE-NE2 3.37Å; R150-H152 PolarHBondContact NH2-CE1 3.31Å; H152-T167 PolarHBondContact CE1-OG1 2.91Å; H152-T167 PolarHBondContact ND1-OG1 3.14Å; H152-T167 VanDerWaalsContact ND1-OG1 3.12Å
153	L	95.2	Very high	89.1	Confident	32 Å²	32	82.4 Å²	82.4	17%	0.168	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.9	-176.9	-52.9	173.1	0	0	0	109.9	L117 F138 N165 I166 V168	L117-L153 HydrophobicContact CD1-CD1 4.32Å; F138-L153 HydrophobicContact CB-CD1 4.04Å; F138-L153 HydrophobicContact CB-CD2 4.35Å; F138-L153 HydrophobicContact CD1-CD1 3.79Å; F138-L153 HydrophobicContact CG-CD1 4.29Å; L153-N165 CarbonylContact O-C 3.48Å; L153-N165 WeakPolarHBondContact O-CA 3.36Å; L153-I166 HydrophobicContact CB-CG2 3.76Å; L153-I166 HydrophobicContact CD1-CG2 4.37Å; L153-I166 PolarHBondContact N-O 3.41Å; L153-I166 PolarHBondContact O-N 3.02Å; L153-V168 HydrophobicContact CD1-CG2 4.31Å
154	T	95.6	Very high	89.3	Confident	61 Å²	61	82.4 Å²	82.4	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	126.5	170.7	-53.4	0	0	0	0	109.7	R162	T154-R162 HydrophobicContact CG2-CB 4.39Å; T154-R162 HydrophobicContact CG2-CG 3.71Å
155	L	94.6	Very high	89.8	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	131.4	175.2	-65.1	169.1	0	0	0	109.8	L55 V119 V163 G164 I166	L55-L155 HydrophobicContact CD2-CD1 3.61Å; V119-L155 HydrophobicContact CB-CD1 4.32Å; V119-L155 HydrophobicContact CG2-CD1 3.65Å; V119-L155 HydrophobicContact CG2-CD2 3.79Å; V119-L155 HydrophobicContact CG2-CG 4.39Å; L155-V163 HydrophobicContact CB-CG2 3.68Å; L155-V163 WeakPolarHBondContact O-CG2 3.34Å; L155-V163 PolarHBondContact O-N 2.99Å; L155-G164 WeakPolarHBondContact CB-O 3.46Å; L155-G164 PolarHBondContact N-O 2.76Å; L155-I166 HydrophobicContact CD1-CB 4.2Å; L155-I166 HydrophobicContact CD2-CB 4.07Å; L155-I166 HydrophobicContact CD2-CG2 3.66Å; L155-I166 HydrophobicContact CG-CB 4.14Å; L155-I166 HydrophobicContact CG-CG2 4.04Å
156	R	93.3	Very high	90.3	Very high	132 Å²	132	75.4 Å²	75.4	50%	0.498	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140	177.9	-63.7	-175.4	-176.4	-83.2	-1	112.1	G134 S135 S160 D161	G134-R156 CarbonylContact C-O 3.6Å; G134-R156 WeakPolarHBondContact CA-O 3.5Å; S135-R156 PolarHBondContact N-O 2.92Å; S135-R156 PolarHBondContact O-N 2.82Å; R156-S160 PolarHBondContact NH1-O 2.95Å; R156-D161 CarbonylContact C-O 3.57Å; R156-D161 VanDerWaalsContact CA-O 3.24Å; R156-D161 WeakPolarHBondContact CA-O 3.44Å
157	S	90.3	Very high	90.8	Very high	17 Å²	17	73.4 Å²	73.4	12%	0.119	35%	0.354	C	S	.	.			trans	-70.5	178	173.4	78.8	0	0	0	0	111.7	E159 S160 D161	S157-E159 WeakPolarHBondContact CB-OE2 3.37Å; S157-E159 PolarHBondContact O-N 3.42Å; S157-E159 PolarHBondContact OG-N 3.42Å; S157-E159 VanDerWaalsContact OG-N 3.11Å; S157-E159 PolarHBondContact OG-OE2 3.47Å; S157-S160 PolarHBondContact O-N 2.84Å; S157-S160 PolarHBondContact OG-N 2.91Å; S157-D161 PolarHBondContact N-O 3Å; S157-D161 PolarHBondContact OG-N 3.4Å
158	A	84.6	Confident	91.6	Very high	94 Å²	94	62.4 Å²	62.4	78%	0.777	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-31	171.3	0	0	0	0	0	112.3	S160	A158-S160 PolarHBondContact O-N 3.31Å
159	E	85.3	Confident	92	Very high	144 Å²	144	57.3 Å²	57.3	67%	0.673	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	5.2	173.1	-50.3	87.9	-176.2	0	0	113.6	S157 D161	S157-E159 WeakPolarHBondContact CB-OE2 3.37Å; S157-E159 PolarHBondContact O-N 3.42Å; S157-E159 PolarHBondContact OG-N 3.42Å; S157-E159 VanDerWaalsContact OG-N 3.11Å; S157-E159 PolarHBondContact OG-OE2 3.47Å; E159-D161 VanDerWaalsContact C-N 3.29Å; E159-D161 PolarHBondContact O-N 3.44Å
160	S	84.8	Confident	92.1	Very high	77 Å²	77	55.4 Å²	55.4	54%	0.538	28%	0.283	S	S	.	.			trans	71	12.2	-177.5	-54.9	0	0	0	0	116.4	R156 S157 A158	R156-S160 PolarHBondContact NH1-O 2.95Å; S157-S160 PolarHBondContact O-N 2.84Å; S157-S160 PolarHBondContact OG-N 2.91Å; A158-S160 PolarHBondContact O-N 3.31Å
161	D	88.9	Confident	91.6	Very high	102 Å²	102	53.2 Å²	53.2	55%	0.545	28%	0.275	S	S	.	.			trans	-72.7	146.6	175.5	-69.4	-33.9	0	0	0	111.8	R156 S157 E159 V163	R156-D161 CarbonylContact C-O 3.57Å; R156-D161 VanDerWaalsContact CA-O 3.24Å; R156-D161 WeakPolarHBondContact CA-O 3.44Å; S157-D161 PolarHBondContact N-O 3Å; S157-D161 PolarHBondContact OG-N 3.4Å; E159-D161 VanDerWaalsContact C-N 3.29Å; E159-D161 PolarHBondContact O-N 3.44Å; D161-V163 PolarHBondContact O-N 3.42Å
162	R	92.2	Very high	90.1	Very high	142 Å²	142	56.6 Å²	56.6	54%	0.536	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	119.1	175.8	178	174.7	179.6	-135.9	-12.4	109.5	E54 T154 N165	E54-R162 IonicContact OE2-CZ 2.9Å; E54-R162 IonicContact OE2-NH2 2.77Å; E54-R162 PolarHBondContact OE2-NH2 2.89Å; T154-R162 HydrophobicContact CG2-CB 4.39Å; T154-R162 HydrophobicContact CG2-CG 3.71Å; R162-N165 PolarHBondContact NH2-ND2 3Å; R162-N165 VanDerWaalsContact NH2-ND2 3.1Å; R162-N165 PolarHBondContact NH2-OD1 3.42Å
163	V	91.5	Very high	88.3	Confident	5 Å²	5	52.8 Å²	52.8	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-4.2	-179.4	-63.9	0	0	0	0	114	L55 H56 L133 L155 D161	L55-V163 WeakPolarHBondContact CA-O 3.45Å; H56-V163 PolarHBondContact N-O 3.07Å; L133-V163 WeakPolarHBondContact O-CG2 3.33Å; L155-V163 HydrophobicContact CB-CG2 3.68Å; L155-V163 WeakPolarHBondContact O-CG2 3.34Å; L155-V163 PolarHBondContact O-N 2.99Å; D161-V163 PolarHBondContact O-N 3.42Å
164	G	93.4	Very high	85.7	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	151.2	-166.8	176.7	0	0	0	0	0	112	E54 L155	E54-G164 WeakPolarHBondContact O-CA 3.47Å; L155-G164 WeakPolarHBondContact CB-O 3.46Å; L155-G164 PolarHBondContact N-O 2.76Å
165	N	95.6	Very high	83	Confident	32 Å²	32	64.8 Å²	64.8	17%	0.171	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.1	175	-53	-39	0	0	0	110.6	C52 S53 L153 R162	C52-N165 CarbonylContact C-O 3.52Å; C52-N165 VanDerWaalsContact CA-O 3.27Å; C52-N165 WeakPolarHBondContact CA-O 3.37Å; S53-N165 PolarHBondContact N-O 3.26Å; S53-N165 PolarHBondContact O-N 3.29Å; L153-N165 CarbonylContact O-C 3.48Å; L153-N165 WeakPolarHBondContact O-CA 3.36Å; R162-N165 PolarHBondContact NH2-ND2 3Å; R162-N165 VanDerWaalsContact NH2-ND2 3.1Å; R162-N165 PolarHBondContact NH2-OD1 3.42Å
166	I	96.8	Very high	80.1	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.4	169.8	-171.3	162.9	0	0	0	109.3	L50 V68 L117 V119 L153 L155	L50-I166 HydrophobicContact CD2-CD1 4.25Å; L50-I166 HydrophobicContact CD2-CG1 4.46Å; V68-I166 HydrophobicContact CG1-CD1 4.03Å; V68-I166 HydrophobicContact CG2-CD1 4.06Å; L117-I166 HydrophobicContact CB-CD1 4.06Å; L117-I166 HydrophobicContact CD1-CD1 3.76Å; L117-I166 HydrophobicContact CD1-CG1 4.28Å; L117-I166 HydrophobicContact CD1-CG2 4.28Å; L117-I166 HydrophobicContact CG-CD1 4.49Å; V119-I166 HydrophobicContact CG2-CD1 4.23Å; L153-I166 HydrophobicContact CB-CG2 3.76Å; L153-I166 HydrophobicContact CD1-CG2 4.37Å; L153-I166 PolarHBondContact N-O 3.41Å; L153-I166 PolarHBondContact O-N 3.02Å; L155-I166 HydrophobicContact CD1-CB 4.2Å; L155-I166 HydrophobicContact CD2-CB 4.07Å; L155-I166 HydrophobicContact CD2-CG2 3.66Å; L155-I166 HydrophobicContact CG-CB 4.14Å; L155-I166 HydrophobicContact CG-CG2 4.04Å
167	T	96.3	Very high	77.2	Confident	11 Å²	11	72.1 Å²	72.1	7%	0.067	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	128.7	175.1	-55.3	0	0	0	0	108.6	L50 A51 R150 L151 H152 I169	L50-T167 WeakPolarHBondContact CA-O 3.27Å; A51-T167 PolarHBondContact N-O 3.36Å; A51-T167 VanDerWaalsContact N-O 3.08Å; A51-T167 PolarHBondContact O-N 3.04Å; R150-T167 HydrophobicContact CG-CG2 3.89Å; L151-T167 CarbonylContact O-C 3.4Å; L151-T167 WeakPolarHBondContact O-CA 3.45Å; H152-T167 PolarHBondContact CE1-OG1 2.91Å; H152-T167 PolarHBondContact ND1-OG1 3.14Å; H152-T167 VanDerWaalsContact ND1-OG1 3.12Å; T167-I169 HydrophobicContact CG2-CD1 4.43Å; T167-I169 HydrophobicContact CG2-CG1 3.94Å
168	V	95.6	Very high	74.3	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.1	172.9	-174	0	0	0	0	107.5	F48 L50 L117 F138 L143 R150 L151 L153	F48-V168 HydrophobicContact CB-CG1 3.91Å; F48-V168 HydrophobicContact CD2-CG1 3.65Å; F48-V168 HydrophobicContact CE2-CG1 4.28Å; F48-V168 HydrophobicContact CG-CG1 3.8Å; L50-V168 HydrophobicContact CD2-CB 4.37Å; L50-V168 HydrophobicContact CD2-CG1 4.33Å; L50-V168 HydrophobicContact CD2-CG2 3.86Å; L117-V168 HydrophobicContact CD1-CG2 3.58Å; F138-V168 HydrophobicContact CD1-CG2 4.45Å; F138-V168 HydrophobicContact CE1-CG1 4.43Å; F138-V168 HydrophobicContact CE1-CG2 4.1Å; F138-V168 HydrophobicContact CZ-CG1 4.15Å; L143-V168 HydrophobicContact CD1-CG1 4.17Å; L143-V168 HydrophobicContact CD2-CG1 4.15Å; R150-V168 CarbonylContact C-O 3.59Å; R150-V168 VanDerWaalsContact CA-O 3.3Å; R150-V168 WeakPolarHBondContact CA-O 3.39Å; L151-V168 HydrophobicContact CB-CB 4.26Å; L151-V168 PolarHBondContact N-O 3.29Å; L151-V168 PolarHBondContact O-N 2.97Å; L153-V168 HydrophobicContact CD1-CG2 4.31Å
169	I	92.4	Very high	71.7	Confident	47 Å²	47	81.5 Å²	81.5	24%	0.241	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	107.2	-179.9	-53.7	173	0	0	0	107.6	F48 S49 R150 T167 W171	F48-I169 CarbonylContact C-O 3.58Å; F48-I169 WeakPolarHBondContact CA-O 3.38Å; F48-I169 VanDerWaalsContact CB-O 3.23Å; F48-I169 WeakPolarHBondContact CB-O 3.22Å; S49-I169 PolarHBondContact N-O 2.93Å; S49-I169 PolarHBondContact O-N 2.92Å; R150-I169 HydrophobicContact CG-CG1 4.38Å; T167-I169 HydrophobicContact CG2-CD1 4.43Å; T167-I169 HydrophobicContact CG2-CG1 3.94Å; I169-W171 HydrophobicContact CG2-CZ2 4.05Å
170	G	89.1	Confident	69.1	Low	8 Å²	8	84.3 Å²	84.3	8%	0.082	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	142.1	175.7	0	0	0	0	0	111.9	H149	H149-G170 PolarHBondContact O-N 3.16Å
171	W	81.1	Confident	66.4	Low	71 Å²	71	85.5 Å²	85.5	27%	0.269	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.8	-179.3	-62	103.3	0	0	0	111.2	E47 S49 I169	E47-W171 HydrophobicContact CB-CB 4.39Å; E47-W171 HydrophobicContact CG-CB 4.49Å; E47-W171 PolarHBondContact O-N 2.88Å; S49-W171 PolarHBondContact OG-NE1 2.9Å; I169-W171 HydrophobicContact CG2-CZ2 4.05Å
172	Q	61.5	Low	63.7	Low	95 Å²	95	86.5 Å²	86.5	44%	0.444	42%	0.421	S	S	.	.			trans	50.3	56.7	179.1	-77.8	-173.7	-16.1	0	0	113.7	R244	Q172-R244 VanDerWaalsContact OE1-NH1 3.09Å
173	M	55.6	Low	61	Low	37 Å²	37	85.2 Å²	85.2	18%	0.182	43%	0.429	C	S	.	.			trans	-100.7	3.4	175.7	-46.9	-122.5	87.1	0	0	112	L46 L144 H149 E175	L46-M173 HydrophobicContact CD1-CE 3.4Å; L46-M173 HydrophobicContact CD1-SD 4.32Å; L144-M173 HydrophobicContact CD2-CE 3.23Å; L144-M173 HydrophobicContact CD2-SD 3.57Å; L144-M173 VanDerWaalsContact CD2-SD 3.57Å; H149-M173 HydrophobicContact CB-CG 4.1Å; H149-M173 HydrophobicContact CB-SD 4.29Å; H149-M173 VanDerWaalsContact CE1-CB 3.46Å; H149-M173 WeakPolarHBondContact CE1-CB 3.44Å; M173-E175 PolarHBondContact O-N 3.48Å
174	E	41.8	Very low	58.4	Low	178 Å²	178	91.7 Å²	91.7	83%	0.832	47%	0.469	S	S	*	.			trans	-77.8	111.9	175.4	-72.7	-174.3	163.5	0	0	109.9	K176	E174-K176 PolarHBondContact O-N 3.05Å; E174-K176 VanDerWaalsContact O-N 3.13Å
175	E	38	Very low	55.7	Low	167 Å²	167	102.4 Å²	102.4	78%	0.78	51%	0.509	S	S	*	.			trans	-53.1	118.5	153.7	-72.3	-177.8	162.3	0	0	106.8	M173 S177	M173-E175 PolarHBondContact O-N 3.48Å; E175-S177 PolarHBondContact O-N 3.26Å
176	K	34.8	Very low	52.7	Low	210 Å²	210	105.8 Å²	105.8	91%	0.913	54%	0.535	S	S	*	.			trans	-64.2	73.9	160.8	-78.5	-176.6	178.9	173.3	0	107.8	E174 D178	E174-K176 PolarHBondContact O-N 3.05Å; E174-K176 VanDerWaalsContact O-N 3.13Å; K176-D178 PolarHBondContact O-N 3.43Å
177	S	30.6	Very low	49.7	Very low	76 Å²	76	112.3 Å²	112.3	53%	0.531	58%	0.575	S	S	.	*			trans	-73.1	86.4	165.9	54.3	0	0	0	0	106	E175 Q179	E175-S177 PolarHBondContact O-N 3.26Å; S177-Q179 PolarHBondContact O-N 3.4Å
178	D	29.6	Very low	46.7	Very low	137 Å²	137	118.7 Å²	118.7	73%	0.733	61%	0.609	S	S	*	*			trans	-70.5	61.8	162	-135.6	-5.2	0	0	0	107.3	K176 R180	K176-D178 PolarHBondContact O-N 3.43Å; D178-R180 PolarHBondContact O-N 3.12Å
179	Q	31.1	Very low	44	Very low	172 Å²	172	124.9 Å²	124.9	80%	0.804	65%	0.646	S	S	*	*			trans	-77.3	75.8	167.7	-76.3	-172	33.4	0	0	107.5	S177	S177-Q179 PolarHBondContact O-N 3.4Å
180	R	29.7	Very low	41.6	Very low	202 Å²	202	128.3 Å²	128.3	76%	0.762	67%	0.67	S	S	*	*			trans	-66.3	128.7	150.3	-70.3	-177.5	-169.2	166.1	4.9	106.6	D178	D178-R180 PolarHBondContact O-N 3.12Å
181	P	29.8	Very low	39.3	Very low	102 Å²	102	135.4 Å²	135.4	66%	0.662	71%	0.706	S	S	*	*			trans	-59.8	138.4	172.4	25.7	-31.3	0	0	0	107.9	V183	P181-V183 PolarHBondContact O-N 2.88Å
182	P	32	Very low	37.6	Very low	123 Å²	123	135.9 Å²	135.9	80%	0.799	73%	0.733	S	S	*	*			trans	-63.4	109.1	179.9	25.4	-31.1	0	0	0	107.9	T184	P182-T184 PolarHBondContact O-N 3.21Å
183	V	33.9	Very low	36.6	Very low	115 Å²	115	141.8 Å²	141.8	70%	0.697	75%	0.751	S	S	*	*			trans	-68.8	106.4	170.1	-177.5	0	0	0	0	106.2	P181 R185	P181-V183 PolarHBondContact O-N 2.88Å; V183-R185 HydrophobicContact CG1-CG 4.03Å; V183-R185 PolarHBondContact O-N 3.46Å
184	T	37.1	Very low	35.7	Very low	142 Å²	142	149.3 Å²	149.3	87%	0.871	79%	0.788	S	S	*	*			trans	-60.8	94.6	166	28.7	0	0	0	0	108.9	P182	P182-T184 PolarHBondContact O-N 3.21Å
185	R	36.9	Very low	35.5	Very low	226 Å²	226	147 Å²	147	85%	0.853	79%	0.786	S	S	*	*			trans	-99.9	129.8	163.6	-80.9	-174.5	172.3	174.3	-1.7	109.3	V183	V183-R185 HydrophobicContact CG1-CG 4.03Å; V183-R185 PolarHBondContact O-N 3.46Å
186	S	33.6	Very low	35.5	Very low	103 Å²	103	146 Å²	146	72%	0.72	79%	0.785	S	S	*	*			trans	-59.5	148.8	-178	51.8	0	0	0	0	112.5	D188	S186-D188 PolarHBondContact O-N 3.45Å
187	V	33.4	Very low	35.5	Very low	137 Å²	137	141.8 Å²	141.8	83%	0.83	78%	0.779	S	S	*	*			trans	-69	112.8	175	-176.6	0	0	0	0	109.4
188	D	33.5	Very low	35.8	Very low	145 Å²	145	143 Å²	143	78%	0.775	78%	0.783	S	S	*	*			trans	-94.7	123.8	168.2	-87	-23.2	0	0	0	110.6	S186	S186-D188 PolarHBondContact O-N 3.45Å
189	T	37.6	Very low	36.1	Very low	129 Å²	129	141.6 Å²	141.6	79%	0.791	78%	0.775	S	S	*	*			trans	-89.6	118.3	173.7	15.9	0	0	0	0	110.3
190	V	43	Very low	36.2	Very low	120 Å²	120	141 Å²	141	73%	0.727	77%	0.773	S	S	*	*			trans	-117.2	121.3	164.1	-177.5	0	0	0	0	109	G192	V190-G192 PolarHBondContact O-N 3.06Å
191	N	39.8	Very low	36.5	Very low	157 Å²	157	134.4 Å²	134.4	84%	0.84	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	55.9	46.5	171.3	-70.2	-8.6	0	0	0	117.6	R193	N191-R193 PolarHBondContact O-N 3.26Å
192	G	46.9	Very low	36.6	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	64.3	10.6	153.8	0	0	0	0	0	117.8	V190	V190-G192 PolarHBondContact O-N 3.06Å
193	R	40.9	Very low	36.9	Very low	218 Å²	218	134.6 Å²	134.6	82%	0.823	75%	0.749	S	S	*	*			trans	-110.9	122.1	168.5	-85.4	-175.5	173.5	178.7	-1.5	109.9	N191 V195	N191-R193 PolarHBondContact O-N 3.26Å; R193-V195 PolarHBondContact O-N 3.03Å
194	M	35.6	Very low	36.9	Very low	195 Å²	195	136 Å²	136	96%	0.961	75%	0.748	S	S	*	*			trans	-63.2	117.1	165.6	-75.4	-177.8	-138.8	0	0	108.6
195	V	37.9	Very low	36.7	Very low	130 Å²	130	133.6 Å²	133.6	79%	0.788	74%	0.742	S	S	*	*			trans	-100	113.9	163.7	-178.5	0	0	0	0	105.8	R193	R193-V195 PolarHBondContact O-N 3.03Å
196	L	37.1	Very low	36.6	Very low	146 Å²	146	130.3 Å²	130.3	76%	0.764	74%	0.741	S	S	*	*			trans	-62	135.1	170.9	-73.2	167.8	0	0	0	108	V198	L196-V198 PolarHBondContact O-N 3.16Å
197	P	35.8	Very low	36.7	Very low	122 Å²	122	128 Å²	128	79%	0.792	73%	0.733	S	S	*	*			trans	-60.8	115.6	170.7	24.7	-28.9	0	0	0	107.1	D199	P197-D199 PolarHBondContact O-N 3.12Å
198	V	36.6	Very low	37.2	Very low	102 Å²	102	126.8 Å²	126.8	62%	0.618	72%	0.721	S	S	*	*			trans	-66.2	120.9	168.8	179	0	0	0	0	105.5	L196 E200 L202	L196-V198 PolarHBondContact O-N 3.16Å; V198-E200 PolarHBondContact O-N 3.42Å; V198-L202 HydrophobicContact CG1-CB 4.13Å; V198-L202 HydrophobicContact CG1-CD1 4.37Å
199	D	36.3	Very low	37.5	Very low	106 Å²	106	130.2 Å²	130.2	57%	0.567	72%	0.723	S	S	*	*			trans	-51.2	126.6	174	-167	4.9	0	0	0	108.8	P197 S201 L202	P197-D199 PolarHBondContact O-N 3.12Å; D199-S201 PolarHBondContact O-N 3.32Å; D199-S201 PolarHBondContact OD2-OG 2.81Å; D199-L202 PolarHBondContact O-N 3.4Å
200	E	33.6	Very low	37.9	Very low	160 Å²	160	126.6 Å²	126.6	75%	0.748	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-57.2	-19	178.3	-88	-177.4	149.7	0	0	111.2	V198 L202 T203 E204	V198-E200 PolarHBondContact O-N 3.42Å; E200-L202 PolarHBondContact O-N 2.91Å; E200-T203 PolarHBondContact O-N 3.27Å; E200-T203 VanDerWaalsContact O-N 3.14Å; E200-T203 PolarHBondContact O-OG1 2.83Å; E200-E204 PolarHBondContact O-N 2.87Å; E200-E204 VanDerWaalsContact O-N 3.11Å
201	S	35.6	Very low	38.2	Very low	64 Å²	64	129.3 Å²	129.3	45%	0.448	71%	0.705	S	S	.	*	G	3₁₀ helix	trans	-59.9	-24.2	171	75.6	0	0	0	0	114.5	D199	D199-S201 PolarHBondContact O-N 3.32Å; D199-S201 PolarHBondContact OD2-OG 2.81Å
202	L	32.4	Very low	39.3	Very low	129 Å²	129	124.2 Å²	124.2	68%	0.675	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-90.9	-12.5	177.7	-70	170.7	0	0	0	113.4	V198 D199 E200	V198-L202 HydrophobicContact CG1-CB 4.13Å; V198-L202 HydrophobicContact CG1-CD1 4.37Å; D199-L202 PolarHBondContact O-N 3.4Å; E200-L202 PolarHBondContact O-N 2.91Å
203	T	37.1	Very low	40.4	Very low	99 Å²	99	120.5 Å²	120.5	61%	0.607	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-14.7	173.1	39.6	0	0	0	0	113.1	E200 A205	E200-T203 PolarHBondContact O-N 3.27Å; E200-T203 VanDerWaalsContact O-N 3.14Å; E200-T203 PolarHBondContact O-OG1 2.83Å; T203-A205 PolarHBondContact O-N 3.21Å
204	E	34.7	Very low	42.3	Very low	146 Å²	146	110.2 Å²	110.2	68%	0.682	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-68.4	-12	169.6	-90.4	-166.8	143.4	0	0	114.4	E200 L206 G207	E200-E204 PolarHBondContact O-N 2.87Å; E200-E204 VanDerWaalsContact O-N 3.11Å; E204-L206 PolarHBondContact O-N 2.94Å; E204-L206 VanDerWaalsContact O-N 3.08Å; E204-G207 PolarHBondContact O-N 3.31Å; E204-G207 VanDerWaalsContact O-N 3.17Å
205	A	32.6	Very low	44.5	Very low	90 Å²	90	101.2 Å²	101.2	74%	0.744	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-68.8	-2.8	177.6	0	0	0	0	0	114.8	T203	T203-A205 PolarHBondContact O-N 3.21Å
206	L	35.5	Very low	46.3	Very low	158 Å²	158	98 Å²	98	83%	0.827	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-118.6	18.3	174	-75.1	163.7	0	0	0	113.3	E204 I208	E204-L206 PolarHBondContact O-N 2.94Å; E204-L206 VanDerWaalsContact O-N 3.08Å; L206-I208 VanDerWaalsContact C-N 3.32Å; L206-I208 PolarHBondContact O-N 2.84Å
207	G	35.7	Very low	48.3	Very low	54 Å²	54	95.9 Å²	95.9	56%	0.557	51%	0.511	S	S	*	.			trans	-69.2	78.5	178.1	0	0	0	0	0	114	E204 R209	E204-G207 PolarHBondContact O-N 3.31Å; E204-G207 VanDerWaalsContact O-N 3.17Å; G207-R209 PolarHBondContact O-N 2.98Å
208	I	43.2	Very low	50.6	Low	111 Å²	111	90.9 Å²	90.9	57%	0.569	48%	0.478	S	S	*	.			trans	-62.6	73.8	154.7	-55.2	168.2	0	0	0	107.1	L206 P777	L206-I208 VanDerWaalsContact C-N 3.32Å; L206-I208 PolarHBondContact O-N 2.84Å; I208-P777 HydrophobicContact CD1-CB 3.83Å
209	R	40.5	Very low	52.9	Low	218 Å²	218	89.2 Å²	89.2	82%	0.823	47%	0.468	S	S	*	.			trans	-137.1	12.9	-179.9	-85.3	-166.6	-179.4	-177.8	3.3	113.5	G207 K211	G207-R209 PolarHBondContact O-N 2.98Å; R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.31Å
210	S	44.4	Very low	55.3	Low	53 Å²	53	84.2 Å²	84.2	37%	0.371	44%	0.441	S	S	.	.			trans	-71.4	97.3	157.9	-166.1	0	0	0	0	107	Y212	S210-Y212 PolarHBondContact O-N 3.29Å; S210-Y212 PolarHBondContact OG-O 3.45Å
211	K	50.9	Low	58.1	Low	177 Å²	177	76.6 Å²	76.6	77%	0.77	41%	0.406	S	S	*	.	S	Bend	trans	-52.2	-16.5	170	-78.5	-175.8	175.9	-178.1	0	112	R209	R209-K211 VanDerWaalsContact C-N 3.29Å; R209-K211 PolarHBondContact O-N 3.31Å
212	Y	61.8	Low	60.6	Low	50 Å²	50	80.2 Å²	80.2	20%	0.196	41%	0.413	C	S	.	.	S	Bend	trans	-126.3	142.8	-172.1	-43.6	-63.1	0	0	0	112.5	S210 S214 D352	S210-Y212 PolarHBondContact O-N 3.29Å; S210-Y212 PolarHBondContact OG-O 3.45Å; Y212-S214 PolarHBondContact O-N 3.23Å; Y212-D352 HydrophobicContact CD1-CB 4.44Å; Y212-D352 HydrophobicContact CE1-CB 3.64Å; Y212-D352 HydrophobicContact CE2-CB 4.34Å; Y212-D352 WeakPolarHBondContact CE2-OD2 3.2Å; Y212-D352 WeakPolarHBondContact OH-CB 3.43Å; Y212-D352 VanDerWaalsContact OH-CG 3.26Å; Y212-D352 PolarHBondContact OH-OD2 3.24Å
213	A	70.9	Confident	63.3	Low	2 Å²	2	74.9 Å²	74.9	2%	0.017	39%	0.387	C	S	.	.			trans	-89	91.2	174.6	0	0	0	0	0	109.7	L221 R342 R694	A213-L221 HydrophobicContact CB-CD1 3.52Å; A213-L221 HydrophobicContact CB-CG 4.49Å; A213-L221 WeakPolarHBondContact O-CD1 3.36Å; A213-R342 PolarHBondContact O-NH1 3Å; A213-R694 HydrophobicContact CB-CG 3.48Å; A213-R694 VanDerWaalsContact CB-CG 3.48Å
214	S	80.4	Confident	66	Low	3 Å²	3	70.2 Å²	70.2	2%	0.021	36%	0.358	C	S	.	.			trans	-62.5	135.8	175.8	166.8	0	0	0	0	110.9	D42 Y212 R216 K217 D218	D42-S214 VanDerWaalsContact CG-OG 3.25Å; D42-S214 WeakPolarHBondContact OD2-CA 3.48Å; D42-S214 WeakPolarHBondContact OD2-CB 3.5Å; D42-S214 PolarHBondContact OD2-OG 3.47Å; Y212-S214 PolarHBondContact O-N 3.23Å; S214-R216 PolarHBondContact O-N 3.45Å; S214-R216 PolarHBondContact OG-N 3.24Å; S214-R216 VanDerWaalsContact OG-N 3.09Å; S214-K217 PolarHBondContact OG-N 2.86Å; S214-K217 VanDerWaalsContact OG-N 3.14Å; S214-D218 WeakPolarHBondContact O-CB 3.46Å; S214-D218 PolarHBondContact O-N 2.9Å; S214-D218 VanDerWaalsContact O-N 3.08Å
215	L	81.9	Confident	68.8	Low	5 Å²	5	63.5 Å²	63.5	3%	0.026	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.9	175.4	-71.3	172.2	0	0	0	112.2	D42 L221 F225 Q248 A250 I691	D42-L215 PolarHBondContact OD2-N 3.21Å; L215-L221 HydrophobicContact CD2-CB 4.41Å; L215-L221 HydrophobicContact CD2-CD1 4.19Å; L215-F225 HydrophobicContact CD2-CB 4.35Å; L215-F225 HydrophobicContact CD2-CD2 4.01Å; L215-F225 HydrophobicContact CD2-CG 4.35Å; L215-Q248 HydrophobicContact CD1-CB 4.21Å; L215-A250 HydrophobicContact CD1-CB 4.22Å; L215-I691 HydrophobicContact CD2-CD1 3.92Å
216	R	76.1	Confident	71.4	Confident	62 Å²	62	60.5 Å²	60.5	23%	0.234	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-27.9	-175	-63.6	178.2	175.4	-154	-9.1	113.6	P41 D42 D106 S214 K222 A228	P41-R216 HydrophobicContact CG-CB 3.99Å; D42-R216 WeakPolarHBondContact OD1-CD 3.18Å; D42-R216 WeakPolarHBondContact OD1-CG 3.42Å; D42-R216 IonicContact OD1-NE 2.75Å; D106-R216 IonicContact OD2-CZ 3.81Å; D106-R216 IonicContact OD2-NH1 3.22Å; D106-R216 PolarHBondContact OD2-NH1 3.49Å; S214-R216 PolarHBondContact O-N 3.45Å; S214-R216 PolarHBondContact OG-N 3.24Å; S214-R216 VanDerWaalsContact OG-N 3.09Å; R216-K222 WeakPolarHBondContact O-CD 3.26Å; R216-A228 PolarHBondContact NH2-O 3.05Å
217	K	78.6	Confident	73.8	Confident	103 Å²	103	55.3 Å²	55.3	45%	0.448	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-37.3	-177.8	-166.7	171.3	168.1	-177.3	0	114.4	I38 Q39 P41 S214 T219	I38-K217 PolarHBondContact O-NZ 3.44Å; Q39-K217 VanDerWaalsContact CA-NZ 3.34Å; Q39-K217 WeakPolarHBondContact O-CD 3.04Å; Q39-K217 PolarHBondContact O-NZ 2.85Å; P41-K217 HydrophobicContact CG-CB 3.7Å; P41-K217 HydrophobicContact CG-CD 4.44Å; S214-K217 PolarHBondContact OG-N 2.86Å; S214-K217 VanDerWaalsContact OG-N 3.14Å; K217-T219 PolarHBondContact O-N 3.35Å
218	D	84.4	Confident	76.3	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.091	27%	0.27	C	S	.	.			trans	-62.4	128.6	-172.5	-175.4	-90.5	0	0	0	110.6	S214 L220 L221 K222 R694	S214-D218 WeakPolarHBondContact O-CB 3.46Å; S214-D218 PolarHBondContact O-N 2.9Å; S214-D218 VanDerWaalsContact O-N 3.08Å; D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 PolarHBondContact O-N 3.26Å; D218-L220 WeakPolarHBondContact OD1-CB 3.32Å; D218-L220 PolarHBondContact OD1-N 2.97Å; D218-L221 HydrophobicContact CB-CB 4.01Å; D218-L221 HydrophobicContact CB-CD1 4.27Å; D218-L221 HydrophobicContact CB-CG 4.04Å; D218-L221 PolarHBondContact O-N 3.36Å; D218-L221 PolarHBondContact OD1-N 2.71Å; D218-K222 WeakPolarHBondContact O-CB 3.29Å; D218-K222 PolarHBondContact O-N 2.88Å; D218-R694 IonicContact OD1-NE 3.57Å; D218-R694 IonicContact OD2-CZ 3.13Å; D218-R694 IonicContact OD2-NE 2.71Å; D218-R694 PolarHBondContact OD2-NE 2.69Å; D218-R694 IonicContact OD2-NH2 2.78Å; D218-R694 PolarHBondContact OD2-NH2 3.43Å
219	T	84.1	Confident	78.6	Confident	67 Å²	67	50 Å²	50	41%	0.411	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-37	-172.8	49.7	0	0	0	0	112.5	K217 S223 P775	K217-T219 PolarHBondContact O-N 3.35Å; T219-S223 PolarHBondContact O-OG 3.25Å; T219-P775 VanDerWaalsContact OG1-CG 3.3Å; T219-P775 WeakPolarHBondContact OG1-CG 3.35Å
220	L	87.6	Confident	81	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-74.1	-53.5	176.8	177.6	70.3	0	0	0	109.9	D218 K222 S223 V224 I690 R694 P773 L774	D218-L220 VanDerWaalsContact C-N 3.27Å; D218-L220 PolarHBondContact O-N 3.26Å; D218-L220 WeakPolarHBondContact OD1-CB 3.32Å; D218-L220 PolarHBondContact OD1-N 2.97Å; L220-K222 PolarHBondContact O-N 3.32Å; L220-S223 WeakPolarHBondContact O-CB 3.43Å; L220-S223 PolarHBondContact O-N 3.27Å; L220-S223 VanDerWaalsContact O-N 3.13Å; L220-V224 WeakPolarHBondContact O-CG2 3.23Å; L220-V224 PolarHBondContact O-N 3.19Å; L220-I690 HydrophobicContact CD1-CG2 4.47Å; L220-I690 HydrophobicContact CD2-CG2 3.95Å; L220-I690 HydrophobicContact CG-CG2 4.07Å; L220-R694 HydrophobicContact CD2-CB 4.19Å; L220-R694 HydrophobicContact CD2-CG 4.49Å; L220-P773 WeakPolarHBondContact CD1-O 3.38Å; L220-L774 HydrophobicContact CD1-CD2 4.34Å; L220-L774 HydrophobicContact CD2-CD2 3.44Å; L220-L774 VanDerWaalsContact CD2-CD2 3.44Å; L220-L774 HydrophobicContact CG-CD2 4.44Å
221	L	90.9	Very high	83.3	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-37.9	-173.7	-56.6	-174	0	0	0	112.6	A213 L215 D218 S223 V224 F225 I690 I691 R694	A213-L221 HydrophobicContact CB-CD1 3.52Å; A213-L221 HydrophobicContact CB-CG 4.49Å; A213-L221 WeakPolarHBondContact O-CD1 3.36Å; L215-L221 HydrophobicContact CD2-CB 4.41Å; L215-L221 HydrophobicContact CD2-CD1 4.19Å; D218-L221 HydrophobicContact CB-CB 4.01Å; D218-L221 HydrophobicContact CB-CD1 4.27Å; D218-L221 HydrophobicContact CB-CG 4.04Å; D218-L221 PolarHBondContact O-N 3.36Å; D218-L221 PolarHBondContact OD1-N 2.71Å; L221-S223 PolarHBondContact O-N 3.05Å; L221-V224 PolarHBondContact O-N 2.98Å; L221-F225 HydrophobicContact CB-CD2 4.18Å; L221-F225 HydrophobicContact CD2-CD2 4.18Å; L221-F225 HydrophobicContact CD2-CE2 3.97Å; L221-F225 WeakPolarHBondContact O-CA 3.24Å; L221-F225 WeakPolarHBondContact O-CB 3.1Å; L221-F225 PolarHBondContact O-N 3.47Å; L221-I690 HydrophobicContact CD2-CG2 4.26Å; L221-I691 HydrophobicContact CD1-CD1 3.63Å; L221-I691 HydrophobicContact CD2-CD1 3.56Å; L221-I691 HydrophobicContact CG-CD1 4.21Å; L221-R694 HydrophobicContact CD1-CG 4.05Å; L221-R694 HydrophobicContact CD2-CB 3.98Å; L221-R694 HydrophobicContact CD2-CG 3.95Å; L221-R694 HydrophobicContact CG-CG 3.95Å
222	K	89.6	Confident	85.2	Confident	139 Å²	139	32.8 Å²	32.8	60%	0.604	18%	0.176	S	C	*	.	H	α-helix	trans	-64	-28.4	175.9	-174.7	-174	-177.2	175	0	112.7	R216 D218 L220 V224	R216-K222 WeakPolarHBondContact O-CD 3.26Å; D218-K222 WeakPolarHBondContact O-CB 3.29Å; D218-K222 PolarHBondContact O-N 2.88Å; L220-K222 PolarHBondContact O-N 3.32Å; K222-V224 VanDerWaalsContact C-N 3.35Å
223	S	89.4	Confident	86.8	Confident	18 Å²	18	30.5 Å²	30.5	13%	0.126	17%	0.167	C	C	.	.	H	α-helix	trans	-77	-26.7	178	-59.1	0	0	0	0	112.1	T219 L220 L221 S754	T219-S223 PolarHBondContact O-OG 3.25Å; L220-S223 WeakPolarHBondContact O-CB 3.43Å; L220-S223 PolarHBondContact O-N 3.27Å; L220-S223 VanDerWaalsContact O-N 3.13Å; L221-S223 PolarHBondContact O-N 3.05Å; S223-S754 WeakPolarHBondContact OG-CA 3.25Å
224	V	92.5	Very high	87.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-101.6	-33	-173.8	179	0	0	0	0	112.1	L220 L221 K222 V253 L254 I690	L220-V224 WeakPolarHBondContact O-CG2 3.23Å; L220-V224 PolarHBondContact O-N 3.19Å; L221-V224 PolarHBondContact O-N 2.98Å; K222-V224 VanDerWaalsContact C-N 3.35Å; V224-V253 WeakPolarHBondContact O-CB 3.26Å; V224-V253 PolarHBondContact O-N 3.41Å; V224-L254 HydrophobicContact CG1-CD1 3.57Å; V224-L254 HydrophobicContact CG1-CD2 4.15Å; V224-L254 HydrophobicContact CG1-CG 3.67Å; V224-I690 HydrophobicContact CG1-CD1 4.24Å; V224-I690 HydrophobicContact CG1-CG2 4.48Å; V224-I690 HydrophobicContact CG2-CD1 4.23Å; V224-I690 HydrophobicContact CG2-CG2 4.35Å
225	F	93.2	Very high	88.5	Confident	6 Å²	6	31.5 Å²	31.5	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.3	-175.1	-56.7	-64.1	0	0	0	111.7	L215 L221 A250 E251 I340 C687 I691	L215-F225 HydrophobicContact CD2-CB 4.35Å; L215-F225 HydrophobicContact CD2-CD2 4.01Å; L215-F225 HydrophobicContact CD2-CG 4.35Å; L221-F225 HydrophobicContact CB-CD2 4.18Å; L221-F225 HydrophobicContact CD2-CD2 4.18Å; L221-F225 HydrophobicContact CD2-CE2 3.97Å; L221-F225 WeakPolarHBondContact O-CA 3.24Å; L221-F225 WeakPolarHBondContact O-CB 3.1Å; L221-F225 PolarHBondContact O-N 3.47Å; F225-A250 HydrophobicContact CB-CB 4.15Å; F225-E251 CarbonylContact C-O 3.49Å; F225-E251 VanDerWaalsContact CA-O 3.26Å; F225-E251 WeakPolarHBondContact CA-O 3.43Å; F225-I340 HydrophobicContact CD1-CG1 3.68Å; F225-I340 HydrophobicContact CE1-CB 4.41Å; F225-I340 HydrophobicContact CE1-CD1 3.9Å; F225-I340 HydrophobicContact CE1-CG1 3.16Å; F225-I340 HydrophobicContact CE2-CG1 4.41Å; F225-I340 HydrophobicContact CG-CG1 4.5Å; F225-I340 HydrophobicContact CZ-CD1 4.05Å; F225-I340 HydrophobicContact CZ-CG1 3.58Å; F225-C687 HydrophobicContact CE1-CB 4.29Å; F225-C687 HydrophobicContact CZ-CB 4.43Å; F225-I691 HydrophobicContact CD2-CD1 4.36Å; F225-I691 HydrophobicContact CE2-CB 4.24Å; F225-I691 HydrophobicContact CE2-CD1 3.87Å; F225-I691 HydrophobicContact CZ-CB 4.35Å
226	G	88.4	Confident	88.9	Confident	26 Å²	26	32.8 Å²	32.8	27%	0.268	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	172.4	-178.8	0	0	0	0	0	112.6	A228 E251	G226-A228 VanDerWaalsContact C-N 3.27Å; G226-A228 PolarHBondContact O-N 3.31Å; G226-E251 PolarHBondContact N-O 2.71Å; G226-E251 PolarHBondContact O-N 2.97Å
227	G	85.8	Confident	89.6	Confident	49 Å²	49	30.6 Å²	30.6	51%	0.505	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	61.3	31.8	174.3	0	0	0	0	0	114.7	I229	G227-I229 PolarHBondContact O-N 2.87Å
228	A	88.6	Confident	90	Very high	20 Å²	20	29.9 Å²	29.9	17%	0.165	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.8	-174.6	0	0	0	0	0	112.6	R216 G226 M249 A250	R216-A228 PolarHBondContact NH2-O 3.05Å; G226-A228 VanDerWaalsContact C-N 3.27Å; G226-A228 PolarHBondContact O-N 3.31Å; A228-M249 CarbonylContact C-O 3.53Å; A228-M249 WeakPolarHBondContact CA-O 3.47Å; A228-A250 HydrophobicContact CB-CB 4.12Å
229	I	90	Very high	90	Very high	35 Å²	35	35.5 Å²	35.5	18%	0.179	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	137.8	173.9	-63	159.4	0	0	0	108.4	G227 Q248 M249 C937 E940 K944	G227-I229 PolarHBondContact O-N 2.87Å; I229-Q248 CarbonylContact O-C 3.58Å; I229-Q248 WeakPolarHBondContact O-CA 3.17Å; I229-M249 HydrophobicContact CD1-CE 3.89Å; I229-M249 PolarHBondContact N-O 3.25Å; I229-M249 PolarHBondContact O-N 3.38Å; I229-C937 HydrophobicContact CG2-CB 4.5Å; I229-C937 PolarHBondContact O-SG 2.83Å; I229-E940 HydrophobicContact CD1-CB 3.77Å; I229-E940 HydrophobicContact CD1-CG 4.45Å; I229-E940 HydrophobicContact CG2-CG 4.26Å; I229-K944 HydrophobicContact CD1-CD 4.45Å
230	C	90.8	Very high	89.8	Confident	15 Å²	15	35 Å²	35	10%	0.101	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.6	-178.1	-59.4	0	0	0	0	111.5	F104 L246 E247 Q248	F104-C230 HydrophobicContact CE1-CB 4.29Å; F104-C230 HydrophobicContact CE2-CB 3.77Å; F104-C230 HydrophobicContact CZ-CB 3.59Å; C230-L246 HydrophobicContact CB-CD1 3.95Å; C230-E247 CarbonylContact C-O 3.59Å; C230-E247 VanDerWaalsContact CA-O 3.31Å; C230-E247 WeakPolarHBondContact CA-O 3.45Å; C230-Q248 PolarHBondContact SG-NE2 2.95Å; C230-Q248 VanDerWaalsContact SG-NE2 3.4Å
231	R	92.9	Very high	89.7	Confident	66 Å²	66	38.4 Å²	38.4	25%	0.249	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.3	170.9	-67.2	-66.7	-169.7	-157	-3.9	109.4	Y233 E247 E935 E940	R231-Y233 HydrophobicContact CB-CE2 3.95Å; R231-Y233 WeakPolarHBondContact CB-OH 3.12Å; R231-E247 HydrophobicContact CB-CB 4.41Å; R231-E247 PolarHBondContact N-O 3.49Å; R231-E247 PolarHBondContact O-N 2.69Å; R231-E935 VanDerWaalsContact CD-O 3.29Å; R231-E935 WeakPolarHBondContact CD-O 3.04Å; R231-E935 PolarHBondContact NE-O 2.91Å; R231-E940 IonicContact NH2-OE1 3.27Å; R231-E940 PolarHBondContact NH2-OE1 3.02Å
232	M	92.2	Very high	89.5	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.4	-177	-65.4	-165.6	73.7	0	0	111.9	P44 E47 S100 A102 F104 R244 I245 L246	P44-M232 HydrophobicContact CB-SD 4.02Å; P44-M232 HydrophobicContact CG-CE 3.97Å; P44-M232 HydrophobicContact CG-SD 3.56Å; P44-M232 VanDerWaalsContact CG-SD 3.56Å; E47-M232 HydrophobicContact CG-CE 4.48Å; E47-M232 HydrophobicContact CG-SD 4.47Å; E47-M232 VanDerWaalsContact OE2-CE 3.29Å; E47-M232 WeakPolarHBondContact OE2-CE 3.5Å; S100-M232 PolarHBondContact N-O 3.44Å; A102-M232 HydrophobicContact CB-CB 4.2Å; A102-M232 HydrophobicContact CB-CG 3.9Å; A102-M232 HydrophobicContact CB-SD 3.51Å; A102-M232 VanDerWaalsContact CB-SD 3.51Å; F104-M232 HydrophobicContact CE1-SD 4.32Å; F104-M232 HydrophobicContact CZ-CG 4.15Å; F104-M232 HydrophobicContact CZ-SD 3.99Å; M232-R244 HydrophobicContact CE-CG 4.16Å; M232-I245 CarbonylContact C-O 3.51Å; M232-I245 VanDerWaalsContact CA-O 3.28Å; M232-I245 WeakPolarHBondContact CA-O 3.3Å; M232-L246 HydrophobicContact CG-CD1 3.75Å; M232-L246 HydrophobicContact SD-CD1 4.34Å
233	Y	94.3	Very high	89.6	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.4	-178	-47.7	-85.4	0	0	0	111.5	L98 R231 F235 I245 E247 M932 G936	L98-Y233 WeakPolarHBondContact O-CA 3.42Å; R231-Y233 HydrophobicContact CB-CE2 3.95Å; R231-Y233 WeakPolarHBondContact CB-OH 3.12Å; Y233-F235 VanDerWaalsContact CB-CE1 3.49Å; Y233-F235 HydrophobicContact CD1-CE1 4.06Å; Y233-F235 HydrophobicContact CD1-CZ 4.07Å; Y233-F235 HydrophobicContact CG-CE1 4Å; Y233-F235 AromaticContact CG-CZ 3.85Å; Y233-F235 HydrophobicContact CG-CZ 3.85Å; Y233-I245 HydrophobicContact CD2-CB 4.26Å; Y233-I245 HydrophobicContact CD2-CG2 4.23Å; Y233-I245 PolarHBondContact N-O 3.16Å; Y233-I245 PolarHBondContact O-N 2.82Å; Y233-E247 HydrophobicContact CE2-CB 3.78Å; Y233-E247 PolarHBondContact OH-OE2 2.86Å; Y233-E247 VanDerWaalsContact OH-OE2 3.09Å; Y233-M932 HydrophobicContact CE1-CG 4.34Å; Y233-M932 HydrophobicContact CE2-CE 4.47Å; Y233-M932 HydrophobicContact CE2-CG 4.3Å; Y233-G936 WeakPolarHBondContact OH-CA 3.11Å
234	R	92.7	Very high	89.7	Confident	25 Å²	25	35.4 Å²	35.4	9%	0.094	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	108	171.3	-69.2	-73.8	177.4	159.4	1.8	108.7	E47 L98 S100 L243 R244	E47-R234 VanDerWaalsContact CD-NH2 3.33Å; E47-R234 IonicContact OE1-CZ 3.6Å; E47-R234 IonicContact OE1-NE 3.35Å; E47-R234 PolarHBondContact OE1-NE 3.31Å; E47-R234 IonicContact OE1-NH2 3.64Å; E47-R234 PolarHBondContact OE1-NH2 2.87Å; E47-R234 VanDerWaalsContact OE1-NH2 3.1Å; E47-R234 IonicContact OE2-CZ 2.87Å; E47-R234 IonicContact OE2-NH2 3.44Å; E47-R234 PolarHBondContact OE2-NH2 3.32Å; L98-R234 PolarHBondContact O-N 2.86Å; S100-R234 VanDerWaalsContact OG-CG 3.28Å; S100-R234 WeakPolarHBondContact OG-CG 3.18Å; R234-L243 VanDerWaalsContact CA-O 3.28Å; R234-L243 WeakPolarHBondContact CA-O 3.37Å; R234-R244 VanDerWaalsContact NH2-CD 3.33Å
235	F	93.9	Very high	89.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	131.4	-178.1	-62.4	-19.4	0	0	0	111	L98 Y233 H242 L243 I245 L914 M920 A928 M932	L98-F235 HydrophobicContact CB-CD1 3.83Å; L98-F235 HydrophobicContact CB-CE1 3.69Å; L98-F235 HydrophobicContact CD1-CD1 3.96Å; L98-F235 HydrophobicContact CD1-CE1 3.96Å; L98-F235 HydrophobicContact CD2-CD1 4.31Å; L98-F235 HydrophobicContact CG-CD1 4.26Å; L98-F235 HydrophobicContact CG-CE1 4.39Å; Y233-F235 VanDerWaalsContact CB-CE1 3.49Å; Y233-F235 HydrophobicContact CD1-CE1 4.06Å; Y233-F235 HydrophobicContact CD1-CZ 4.07Å; Y233-F235 HydrophobicContact CG-CE1 4Å; Y233-F235 AromaticContact CG-CZ 3.85Å; Y233-F235 HydrophobicContact CG-CZ 3.85Å; F235-H242 CarbonylContact O-C 3.48Å; F235-H242 WeakPolarHBondContact O-CA 3.29Å; F235-L243 PolarHBondContact N-O 3.31Å; F235-L243 PolarHBondContact O-N 3.41Å; F235-I245 HydrophobicContact CB-CD1 3.95Å; F235-I245 HydrophobicContact CD1-CD1 4.47Å; F235-I245 HydrophobicContact CD2-CD1 3.49Å; F235-I245 VanDerWaalsContact CD2-CD1 3.49Å; F235-I245 HydrophobicContact CD2-CG1 4.3Å; F235-I245 HydrophobicContact CE2-CD1 4.04Å; F235-I245 HydrophobicContact CG-CD1 3.72Å; F235-L914 HydrophobicContact CD2-CD1 3.85Å; F235-L914 HydrophobicContact CE2-CD1 3.73Å; F235-M920 HydrophobicContact CB-CG 4.37Å; F235-M920 HydrophobicContact CB-SD 4.36Å; F235-M920 HydrophobicContact CD2-SD 3.77Å; F235-M920 HydrophobicContact CE2-SD 4.48Å; F235-M920 HydrophobicContact CG-SD 4.37Å; F235-A928 HydrophobicContact CD1-CB 4.38Å; F235-A928 HydrophobicContact CD2-CB 3.97Å; F235-A928 HydrophobicContact CE1-CB 4.07Å; F235-A928 HydrophobicContact CE2-CB 3.65Å; F235-A928 HydrophobicContact CG-CB 4.35Å; F235-A928 HydrophobicContact CZ-CB 3.71Å; F235-M932 HydrophobicContact CE2-SD 4.17Å; F235-M932 HydrophobicContact CZ-CG 4.06Å; F235-M932 HydrophobicContact CZ-SD 4.28Å
236	P	92	Very high	89.8	Confident	32 Å²	32	35.6 Å²	35.6	21%	0.208	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.3	178.4	29.3	-36.6	0	0	0	111.8	N241 A921 V924	P236-N241 WeakPolarHBondContact CA-O 3.3Å; P236-A921 WeakPolarHBondContact O-CB 3.44Å; P236-A921 PolarHBondContact O-N 3.37Å; P236-V924 HydrophobicContact CG-CB 4.19Å; P236-V924 HydrophobicContact CG-CG1 4.13Å; P236-V924 HydrophobicContact CG-CG2 3.51Å
237	T	90.7	Very high	90.1	Very high	17 Å²	17	34.4 Å²	34.4	10%	0.104	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-91.9	167.4	173.3	59.2	0	0	0	0	110.9	D239 G240 N241 L243 G919	T237-D239 PolarHBondContact O-N 2.88Å; T237-G240 PolarHBondContact O-N 2.69Å; T237-N241 PolarHBondContact N-O 3.39Å; T237-N241 VanDerWaalsContact OG1-C 3.31Å; T237-N241 WeakPolarHBondContact OG1-CA 3.24Å; T237-N241 PolarHBondContact OG1-N 3.43Å; T237-N241 VanDerWaalsContact OG1-N 3.08Å; T237-N241 PolarHBondContact OG1-O 3.37Å; T237-L243 HydrophobicContact CG2-CD1 4.3Å; T237-L243 HydrophobicContact CG2-CD2 3.54Å; T237-L243 HydrophobicContact CG2-CG 3.5Å; T237-L243 VanDerWaalsContact CG2-CG 3.5Å; T237-G919 WeakPolarHBondContact CA-O 3.33Å
238	T	87	Confident	90.5	Very high	88 Å²	88	32 Å²	32	54%	0.54	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.4	172.5	46.9	0	0	0	0	113.5	G240 G919	T238-G240 VanDerWaalsContact C-N 3.32Å; T238-G240 PolarHBondContact O-N 3.44Å; T238-G919 PolarHBondContact N-O 2.86Å; T238-G919 VanDerWaalsContact N-O 3.1Å; T238-G919 PolarHBondContact OG1-O 3.39Å
239	D	83.7	Confident	90.8	Very high	135 Å²	135	31.1 Å²	31.1	72%	0.722	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	1.8	-178.7	-57.7	-37.7	0	0	0	113.8	T237	T237-D239 PolarHBondContact O-N 2.88Å
240	G	79.4	Confident	91.1	Very high	57 Å²	57	29.5 Å²	29.5	59%	0.588	17%	0.167	S	C	*	.	S	Bend	trans	87.7	-2	-179.8	0	0	0	0	0	115.1	T237 T238	T237-G240 PolarHBondContact O-N 2.69Å; T238-G240 VanDerWaalsContact C-N 3.32Å; T238-G240 PolarHBondContact O-N 3.44Å
241	N	86.3	Confident	91.2	Very high	71 Å²	71	29.9 Å²	29.9	38%	0.38	17%	0.167	S	C	.	.			trans	-86.7	177.7	174.5	-65.1	-27.1	0	0	0	112.3	P236 T237 D348	P236-N241 WeakPolarHBondContact CA-O 3.3Å; T237-N241 PolarHBondContact N-O 3.39Å; T237-N241 VanDerWaalsContact OG1-C 3.31Å; T237-N241 WeakPolarHBondContact OG1-CA 3.24Å; T237-N241 PolarHBondContact OG1-N 3.43Å; T237-N241 VanDerWaalsContact OG1-N 3.08Å; T237-N241 PolarHBondContact OG1-O 3.37Å; N241-D348 WeakPolarHBondContact CB-OD2 3.22Å; N241-D348 PolarHBondContact ND2-OD2 3.19Å; N241-D348 PolarHBondContact OD1-OD2 3.38Å
242	H	87.3	Confident	91.3	Very high	74 Å²	74	26.8 Å²	26.8	34%	0.343	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.5	-179.1	-67.3	75.7	0	0	0	112.4	F235	F235-H242 CarbonylContact O-C 3.48Å; F235-H242 WeakPolarHBondContact O-CA 3.29Å
243	L	91.1	Very high	91.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	137.2	165.6	-60.3	-179.9	0	0	0	109.6	R234 F235 T237 I245 D347 L914 H918 M920	R234-L243 VanDerWaalsContact CA-O 3.28Å; R234-L243 WeakPolarHBondContact CA-O 3.37Å; F235-L243 PolarHBondContact N-O 3.31Å; F235-L243 PolarHBondContact O-N 3.41Å; T237-L243 HydrophobicContact CG2-CD1 4.3Å; T237-L243 HydrophobicContact CG2-CD2 3.54Å; T237-L243 HydrophobicContact CG2-CG 3.5Å; T237-L243 VanDerWaalsContact CG2-CG 3.5Å; L243-I245 HydrophobicContact CB-CD1 3.72Å; L243-D347 HydrophobicContact CD2-CB 4.31Å; L243-L914 HydrophobicContact CD1-CD2 4.14Å; L243-H918 HydrophobicContact CD1-CB 3.76Å; L243-H918 HydrophobicContact CD2-CB 4.07Å; L243-M920 HydrophobicContact CD1-CB 4.01Å
244	R	91.1	Very high	91.4	Very high	17 Å²	17	28.6 Å²	28.6	6%	0.064	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.5	167.8	-175.3	-170.6	-167.6	-152	5.7	109	E43 P44 E47 Q172 M232 R234 V345 Q346	E43-R244 IonicContact OE1-NH1 3.53Å; E43-R244 PolarHBondContact OE1-NH1 3.08Å; P44-R244 VanDerWaalsContact CG-NH2 3.29Å; E47-R244 IonicContact OE2-CZ 2.79Å; E47-R244 IonicContact OE2-NE 3.77Å; E47-R244 PolarHBondContact OE2-NE 2.98Å; E47-R244 IonicContact OE2-NH2 2.88Å; E47-R244 PolarHBondContact OE2-NH2 3.38Å; E47-R244 VanDerWaalsContact OE2-NH2 3.14Å; Q172-R244 VanDerWaalsContact OE1-NH1 3.09Å; M232-R244 HydrophobicContact CE-CG 4.16Å; R234-R244 VanDerWaalsContact NH2-CD 3.33Å; R244-V345 WeakPolarHBondContact O-CA 3.44Å; R244-Q346 HydrophobicContact CB-CB 4.15Å; R244-Q346 PolarHBondContact N-O 3.45Å; R244-Q346 PolarHBondContact O-N 3.49Å
245	I	93.8	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.8	-179.2	-54.4	90.6	0	0	0	109.3	M232 Y233 F235 L243 M343 R344 L914	M232-I245 CarbonylContact C-O 3.51Å; M232-I245 VanDerWaalsContact CA-O 3.28Å; M232-I245 WeakPolarHBondContact CA-O 3.3Å; Y233-I245 HydrophobicContact CD2-CB 4.26Å; Y233-I245 HydrophobicContact CD2-CG2 4.23Å; Y233-I245 PolarHBondContact N-O 3.16Å; Y233-I245 PolarHBondContact O-N 2.82Å; F235-I245 HydrophobicContact CB-CD1 3.95Å; F235-I245 HydrophobicContact CD1-CD1 4.47Å; F235-I245 HydrophobicContact CD2-CD1 3.49Å; F235-I245 VanDerWaalsContact CD2-CD1 3.49Å; F235-I245 HydrophobicContact CD2-CG1 4.3Å; F235-I245 HydrophobicContact CE2-CD1 4.04Å; F235-I245 HydrophobicContact CG-CD1 3.72Å; L243-I245 HydrophobicContact CB-CD1 3.72Å; I245-M343 HydrophobicContact CG2-CG 3.61Å; I245-M343 HydrophobicContact CG2-SD 4.01Å; I245-R344 WeakPolarHBondContact CA-O 3.39Å; I245-L914 HydrophobicContact CD1-CD2 4.4Å; I245-L914 HydrophobicContact CG1-CD1 4.23Å; I245-L914 HydrophobicContact CG1-CD2 3.71Å
246	L	93.1	Very high	91.5	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.058	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	107.4	167.6	172.5	68.1	0	0	0	108.6	D42 F104 C230 M232 Q248 M343 R344	D42-L246 HydrophobicContact CB-CD2 4.1Å; F104-L246 HydrophobicContact CE1-CD1 4.33Å; F104-L246 HydrophobicContact CZ-CD1 4.1Å; C230-L246 HydrophobicContact CB-CD1 3.95Å; M232-L246 HydrophobicContact CG-CD1 3.75Å; M232-L246 HydrophobicContact SD-CD1 4.34Å; L246-Q248 HydrophobicContact CD1-CG 4.18Å; L246-Q248 HydrophobicContact CD2-CG 4.15Å; L246-Q248 HydrophobicContact CG-CG 3.81Å; L246-M343 WeakPolarHBondContact O-CA 3.4Å; L246-R344 HydrophobicContact CB-CB 4.24Å; L246-R344 PolarHBondContact N-O 3.33Å; L246-R344 PolarHBondContact O-N 2.91Å
247	E	95.4	Very high	91.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.1	171.5	-174	-164.4	-171.7	0	0	109.1	C230 R231 Y233 Q341 R342 M932 G936 C937	C230-E247 CarbonylContact C-O 3.59Å; C230-E247 VanDerWaalsContact CA-O 3.31Å; C230-E247 WeakPolarHBondContact CA-O 3.45Å; R231-E247 HydrophobicContact CB-CB 4.41Å; R231-E247 PolarHBondContact N-O 3.49Å; R231-E247 PolarHBondContact O-N 2.69Å; Y233-E247 HydrophobicContact CE2-CB 3.78Å; Y233-E247 PolarHBondContact OH-OE2 2.86Å; Y233-E247 VanDerWaalsContact OH-OE2 3.09Å; E247-Q341 VanDerWaalsContact CD-NE2 3.31Å; E247-Q341 PolarHBondContact OE1-NE2 3.31Å; E247-R342 CarbonylContact C-O 3.51Å; E247-R342 WeakPolarHBondContact CA-O 3.4Å; E247-M932 HydrophobicContact CG-CE 4.46Å; E247-G936 VanDerWaalsContact OE2-CA 3.25Å; E247-G936 WeakPolarHBondContact OE2-CA 3.23Å; E247-C937 HydrophobicContact CG-CB 4.33Å; E247-C937 PolarHBondContact O-SG 2.9Å; E247-C937 VanDerWaalsContact O-SG 3.38Å; E247-C937 PolarHBondContact OE2-N 3.41Å
248	Q	94.5	Very high	92	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.3	177.3	-47.2	179.8	-82.1	0	0	111.2	D42 L215 I229 C230 L246 Q341 R342	D42-Q248 PolarHBondContact OD1-NE2 3.45Å; D42-Q248 VanDerWaalsContact OD1-NE2 3.1Å; L215-Q248 HydrophobicContact CD1-CB 4.21Å; I229-Q248 CarbonylContact O-C 3.58Å; I229-Q248 WeakPolarHBondContact O-CA 3.17Å; C230-Q248 PolarHBondContact SG-NE2 2.95Å; C230-Q248 VanDerWaalsContact SG-NE2 3.4Å; L246-Q248 HydrophobicContact CD1-CG 4.18Å; L246-Q248 HydrophobicContact CD2-CG 4.15Å; L246-Q248 HydrophobicContact CG-CG 3.81Å; Q248-Q341 CarbonylContact O-C 3.58Å; Q248-Q341 WeakPolarHBondContact O-CA 3.45Å; Q248-Q341 PolarHBondContact O-NE2 2.96Å; Q248-R342 HydrophobicContact CB-CB 4.25Å; Q248-R342 PolarHBondContact N-O 3.31Å; Q248-R342 PolarHBondContact O-N 3Å
249	M	95.3	Very high	92.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	125.7	170.2	-173.9	-175.4	74.3	0	0	109.6	A228 I229 H339 I340 C937 N941	A228-M249 CarbonylContact C-O 3.53Å; A228-M249 WeakPolarHBondContact CA-O 3.47Å; I229-M249 HydrophobicContact CD1-CE 3.89Å; I229-M249 PolarHBondContact N-O 3.25Å; I229-M249 PolarHBondContact O-N 3.38Å; M249-H339 HydrophobicContact CG-CB 4.01Å; M249-H339 HydrophobicContact SD-CB 4.49Å; M249-I340 CarbonylContact C-O 3.28Å; M249-I340 VanDerWaalsContact CA-O 3.29Å; M249-I340 WeakPolarHBondContact CA-O 3.4Å; M249-C937 HydrophobicContact CB-CB 3.7Å; M249-N941 HydrophobicContact CE-CB 3.87Å; M249-N941 HydrophobicContact SD-CB 3.84Å
250	A	95.1	Very high	93.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.7	180	0	0	0	0	0	112	L215 F225 A228 H339 I340	L215-A250 HydrophobicContact CD1-CB 4.22Å; F225-A250 HydrophobicContact CB-CB 4.15Å; A228-A250 HydrophobicContact CB-CB 4.12Å; A250-H339 VanDerWaalsContact O-CA 3.29Å; A250-H339 WeakPolarHBondContact O-CA 3.45Å; A250-H339 WeakPolarHBondContact O-CB 3.3Å; A250-I340 PolarHBondContact N-O 3.48Å; A250-I340 PolarHBondContact O-N 3.35Å
251	E	94.3	Very high	94.1	Very high	22 Å²	22	19.3 Å²	19.3	10%	0.103	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	149.3	172.6	-63.2	171.6	-159.4	0	0	109.6	F225 G226 F320 K944	F225-E251 CarbonylContact C-O 3.49Å; F225-E251 VanDerWaalsContact CA-O 3.26Å; F225-E251 WeakPolarHBondContact CA-O 3.43Å; G226-E251 PolarHBondContact N-O 2.71Å; G226-E251 PolarHBondContact O-N 2.97Å; E251-F320 VanDerWaalsContact CD-CD1 3.45Å; E251-F320 HydrophobicContact CG-CD1 3.82Å; E251-F320 HydrophobicContact CG-CE1 4.48Å; E251-F320 HydrophobicContact CG-CG 4.48Å; E251-K944 WeakPolarHBondContact OE1-CE 3.34Å; E251-K944 IonicContact OE1-NZ 3.78Å; E251-K944 PolarHBondContact OE1-NZ 3.17Å
252	S	93.8	Very high	94.6	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.007	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	119.3	178.3	-178.8	0	0	0	0	111.7	L254 S255 C687	S252-L254 PolarHBondContact O-N 3.31Å; S252-L254 VanDerWaalsContact O-N 3.11Å; S252-L254 VanDerWaalsContact OG-CB 3.32Å; S252-L254 WeakPolarHBondContact OG-CB 3.38Å; S252-L254 PolarHBondContact OG-N 2.84Å; S252-S255 VanDerWaalsContact O-CB 3.3Å; S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 3.36Å; S252-S255 PolarHBondContact O-OG 2.97Å; S252-C687 PolarHBondContact OG-SG 3.39Å
253	V	92.7	Very high	95.1	Very high	46 Å²	46	12.4 Å²	12.4	28%	0.279	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.9	172.6	-178.5	0	0	0	0	111.2	V224 S255 L256 H257	V224-V253 WeakPolarHBondContact O-CB 3.26Å; V224-V253 PolarHBondContact O-N 3.41Å; V253-S255 PolarHBondContact O-N 3.16Å; V253-L256 PolarHBondContact O-N 3.31Å; V253-H257 PolarHBondContact O-N 3.15Å
254	L	95.4	Very high	95.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.6	-22.5	176.7	-54	-177	0	0	0	113.4	V224 S252 L256 H257 V258 T683 I686 I690 L758 P759	V224-L254 HydrophobicContact CG1-CD1 3.57Å; V224-L254 HydrophobicContact CG1-CD2 4.15Å; V224-L254 HydrophobicContact CG1-CG 3.67Å; S252-L254 PolarHBondContact O-N 3.31Å; S252-L254 VanDerWaalsContact O-N 3.11Å; S252-L254 VanDerWaalsContact OG-CB 3.32Å; S252-L254 WeakPolarHBondContact OG-CB 3.38Å; S252-L254 PolarHBondContact OG-N 2.84Å; L254-L256 PolarHBondContact O-N 3.11Å; L254-L256 VanDerWaalsContact O-N 3.07Å; L254-H257 HydrophobicContact CD2-CB 4.47Å; L254-H257 PolarHBondContact O-N 3.35Å; L254-V258 HydrophobicContact CB-CG2 4.04Å; L254-V258 WeakPolarHBondContact O-CB 3.35Å; L254-V258 PolarHBondContact O-N 2.94Å; L254-T683 HydrophobicContact CB-CG2 4.14Å; L254-T683 VanDerWaalsContact O-CG2 3.32Å; L254-T683 WeakPolarHBondContact O-CG2 3.42Å; L254-I686 HydrophobicContact CD1-CB 4.38Å; L254-I686 HydrophobicContact CD1-CG2 3.75Å; L254-I690 HydrophobicContact CD1-CD1 3.93Å; L254-L758 HydrophobicContact CD2-CD2 4.31Å; L254-P759 HydrophobicContact CD1-CG 4.28Å; L254-P759 HydrophobicContact CD2-CG 3.54Å
255	S	95.5	Very high	95.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-53.6	-29.4	175.2	-51.5	0	0	0	0	112.4	S252 V253 P259 S319 V334	S252-S255 VanDerWaalsContact O-CB 3.3Å; S252-S255 WeakPolarHBondContact O-CB 3.39Å; S252-S255 PolarHBondContact O-N 3.36Å; S252-S255 PolarHBondContact O-OG 2.97Å; V253-S255 PolarHBondContact O-N 3.16Å; S255-P259 WeakPolarHBondContact O-CD 3.46Å; S255-P259 VanDerWaalsContact O-CG 3.26Å; S255-P259 WeakPolarHBondContact O-CG 3.43Å; S255-S319 VanDerWaalsContact CB-O 3.27Å; S255-S319 WeakPolarHBondContact CB-O 3.26Å; S255-S319 PolarHBondContact OG-O 3.12Å; S255-V334 WeakPolarHBondContact O-CG1 3.34Å
256	L	94.7	Very high	95.9	Very high	17 Å²	17	18.1 Å²	18.1	9%	0.089	9%	0.085	C	C	.	.	H	α-helix	trans	-106.9	-34.9	176.5	-62.6	171.8	0	0	0	112.4	V253 L254 R260 Y315 V334	V253-L256 PolarHBondContact O-N 3.31Å; L254-L256 PolarHBondContact O-N 3.11Å; L254-L256 VanDerWaalsContact O-N 3.07Å; L256-R260 WeakPolarHBondContact O-CD 3.3Å; L256-R260 VanDerWaalsContact O-CG 3.26Å; L256-R260 WeakPolarHBondContact O-CG 3.17Å; L256-R260 PolarHBondContact O-N 2.99Å; L256-Y315 HydrophobicContact CD1-CD1 3.75Å; L256-Y315 HydrophobicContact CD1-CE1 3.98Å; L256-Y315 HydrophobicContact CD2-CD1 3.8Å; L256-Y315 HydrophobicContact CD2-CE1 4.13Å; L256-Y315 HydrophobicContact CG-CD1 4.44Å; L256-V334 HydrophobicContact CD2-CG2 3.98Å
257	H	95.6	Very high	96.1	Very high	41 Å²	41	18.6 Å²	18.6	19%	0.19	9%	0.087	C	C	.	.	H	α-helix	trans	-67.8	-42.7	-176.6	-174.7	61.4	0	0	0	113.3	V253 L254 Q261 L758 P759	V253-H257 PolarHBondContact O-N 3.15Å; L254-H257 HydrophobicContact CD2-CB 4.47Å; L254-H257 PolarHBondContact O-N 3.35Å; H257-Q261 PolarHBondContact CD2-NE2 3.18Å; H257-Q261 PolarHBondContact CE1-NE2 2.98Å; H257-Q261 VanDerWaalsContact CE1-NE2 3.32Å; H257-Q261 PolarHBondContact NE2-NE2 2.95Å; H257-Q261 PolarHBondContact O-N 3.48Å; H257-L758 WeakPolarHBondContact NE2-CB 3.31Å; H257-P759 PolarHBondContact NE2-O 2.62Å
258	V	97.7	Very high	96.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.8	-49.7	-179.3	166	0	0	0	0	111.2	L254 R260 Q261 F262 T683 I686 I761	L254-V258 HydrophobicContact CB-CG2 4.04Å; L254-V258 WeakPolarHBondContact O-CB 3.35Å; L254-V258 PolarHBondContact O-N 2.94Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 PolarHBondContact O-N 3.12Å; V258-Q261 PolarHBondContact O-N 2.9Å; V258-F262 VanDerWaalsContact O-CB 3.3Å; V258-F262 WeakPolarHBondContact O-CB 3.44Å; V258-F262 PolarHBondContact O-N 3.4Å; V258-T683 HydrophobicContact CB-CG2 4.02Å; V258-T683 HydrophobicContact CG1-CG2 4.4Å; V258-T683 WeakPolarHBondContact CG1-OG1 3.33Å; V258-T683 HydrophobicContact CG2-CG2 4.3Å; V258-I686 HydrophobicContact CG1-CD1 4.31Å; V258-I686 HydrophobicContact CG2-CD1 3.8Å; V258-I761 HydrophobicContact CB-CD1 4.18Å; V258-I761 HydrophobicContact CG1-CD1 3.6Å; V258-I761 HydrophobicContact CG2-CD1 4.18Å
259	P	97.9	Very high	96.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.3	-40.1	175.8	-32.7	39.9	0	0	0	114.9	S255 F262 V263 L312 F333 V334	S255-P259 WeakPolarHBondContact O-CD 3.46Å; S255-P259 VanDerWaalsContact O-CG 3.26Å; S255-P259 WeakPolarHBondContact O-CG 3.43Å; P259-F262 PolarHBondContact O-N 2.84Å; P259-V263 WeakPolarHBondContact O-CB 2.96Å; P259-V263 VanDerWaalsContact O-CG2 3.27Å; P259-V263 WeakPolarHBondContact O-CG2 2.8Å; P259-V263 PolarHBondContact O-N 3.03Å; P259-L312 HydrophobicContact CB-CD1 3.79Å; P259-L312 HydrophobicContact CB-CD2 4.47Å; P259-F333 HydrophobicContact CB-CB 3.91Å; P259-F333 HydrophobicContact CG-CB 4.46Å; P259-V334 HydrophobicContact CG-CG2 4.33Å
260	R	97.1	Very high	96.1	Very high	66 Å²	66	24.5 Å²	24.5	25%	0.249	12%	0.115	C	C	.	.	H	α-helix	trans	-61	-46.8	178.4	-73.1	169.8	-178.7	166.3	-0.1	112.1	L256 V258 K264 L309 L312	L256-R260 WeakPolarHBondContact O-CD 3.3Å; L256-R260 VanDerWaalsContact O-CG 3.26Å; L256-R260 WeakPolarHBondContact O-CG 3.17Å; L256-R260 PolarHBondContact O-N 2.99Å; V258-R260 VanDerWaalsContact C-N 3.31Å; V258-R260 PolarHBondContact O-N 3.12Å; R260-K264 WeakPolarHBondContact O-CB 3.29Å; R260-K264 PolarHBondContact O-N 3.01Å; R260-L309 HydrophobicContact CB-CD1 4.26Å; R260-L309 HydrophobicContact CG-CD1 4.43Å; R260-L309 WeakPolarHBondContact O-CD1 3.44Å; R260-L312 HydrophobicContact CG-CB 3.94Å; R260-L312 HydrophobicContact CG-CD1 4.42Å; R260-L312 PolarHBondContact NE-O 2.94Å; R260-L312 VanDerWaalsContact NE-O 3.1Å; R260-L312 PolarHBondContact NH2-O 3.3Å
261	Q	97.8	Very high	96.1	Very high	34 Å²	34	26.3 Å²	26.3	16%	0.159	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-43.9	177.1	-71.2	-176.4	73.4	0	0	111.9	H257 V258 K264 L265 P759 V760 I761	H257-Q261 PolarHBondContact CD2-NE2 3.18Å; H257-Q261 PolarHBondContact CE1-NE2 2.98Å; H257-Q261 VanDerWaalsContact CE1-NE2 3.32Å; H257-Q261 PolarHBondContact NE2-NE2 2.95Å; H257-Q261 PolarHBondContact O-N 3.48Å; V258-Q261 PolarHBondContact O-N 2.9Å; Q261-K264 WeakPolarHBondContact O-CB 3.48Å; Q261-K264 PolarHBondContact O-N 2.71Å; Q261-L265 WeakPolarHBondContact O-CG 3.47Å; Q261-L265 PolarHBondContact O-N 3.21Å; Q261-L265 VanDerWaalsContact O-N 3.09Å; Q261-P759 PolarHBondContact NE2-O 3.46Å; Q261-V760 VanDerWaalsContact OE1-CA 3.29Å; Q261-I761 HydrophobicContact CB-CB 4.48Å; Q261-I761 HydrophobicContact CB-CD1 4.42Å
262	F	98.3	Very high	96.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.1	-51.1	-176.8	-175.1	-102.1	0	0	0	111.6	V258 P259 K264 L265 L266 F333 D675 F678 C679 L682 F768	V258-F262 VanDerWaalsContact O-CB 3.3Å; V258-F262 WeakPolarHBondContact O-CB 3.44Å; V258-F262 PolarHBondContact O-N 3.4Å; P259-F262 PolarHBondContact O-N 2.84Å; F262-K264 PolarHBondContact O-N 3.3Å; F262-L265 WeakPolarHBondContact O-CB 3.35Å; F262-L265 PolarHBondContact O-N 2.97Å; F262-L266 HydrophobicContact CD1-CD1 3.93Å; F262-L266 HydrophobicContact CD1-CG 4.27Å; F262-L266 HydrophobicContact CE1-CD1 3.54Å; F262-L266 HydrophobicContact CE1-CD2 4.13Å; F262-L266 HydrophobicContact CE1-CG 4.02Å; F262-L266 HydrophobicContact CZ-CD1 4.21Å; F262-L266 HydrophobicContact CZ-CD2 3.96Å; F262-L266 HydrophobicContact CZ-CG 4.33Å; F262-L266 WeakPolarHBondContact O-CG 3.47Å; F262-L266 PolarHBondContact O-N 3.44Å; F262-L266 VanDerWaalsContact O-N 3.09Å; F262-F333 HydrophobicContact CD1-CD1 4.42Å; F262-D675 HydrophobicContact CE1-CB 4.27Å; F262-D675 WeakPolarHBondContact CE1-O 3.47Å; F262-F678 AromaticContact CE2-CD1 3.63Å; F262-F678 HydrophobicContact CE2-CD1 3.63Å; F262-F678 AromaticContact CE2-CE1 3.75Å; F262-F678 HydrophobicContact CE2-CE1 3.75Å; F262-F678 AromaticContact CZ-CD1 3.58Å; F262-F678 HydrophobicContact CZ-CD1 3.58Å; F262-F678 HydrophobicContact CZ-CE1 4.18Å; F262-C679 HydrophobicContact CD1-CB 3.53Å; F262-C679 HydrophobicContact CE1-CB 3.68Å; F262-C679 HydrophobicContact CG-CB 4.2Å; F262-C679 HydrophobicContact CZ-CB 4.5Å; F262-L682 HydrophobicContact CD2-CD2 4.13Å; F262-L682 HydrophobicContact CE2-CD2 4.43Å; F262-F768 HydrophobicContact CD2-CE1 4.12Å; F262-F768 HydrophobicContact CD2-CZ 4.13Å; F262-F768 HydrophobicContact CE2-CD1 4.42Å; F262-F768 HydrophobicContact CE2-CD2 4.31Å; F262-F768 AromaticContact CE2-CE1 3.77Å; F262-F768 HydrophobicContact CE2-CE1 3.77Å; F262-F768 AromaticContact CE2-CE2 3.63Å; F262-F768 HydrophobicContact CE2-CE2 3.63Å; F262-F768 AromaticContact CE2-CZ 3.33Å; F262-F768 HydrophobicContact CE2-CZ 3.33Å; F262-F768 HydrophobicContact CZ-CE2 4.29Å; F262-F768 HydrophobicContact CZ-CZ 4.04Å
263	V	98	Very high	95.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-35.3	178.3	175.6	0	0	0	0	111.4	P259 L266 L267 Y305 L309 F333	P259-V263 WeakPolarHBondContact O-CB 2.96Å; P259-V263 VanDerWaalsContact O-CG2 3.27Å; P259-V263 WeakPolarHBondContact O-CG2 2.8Å; P259-V263 PolarHBondContact O-N 3.03Å; V263-L266 PolarHBondContact O-N 3.35Å; V263-L267 HydrophobicContact CG1-CD1 4.31Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 3.37Å; V263-Y305 HydrophobicContact CG1-CD1 4.04Å; V263-Y305 HydrophobicContact CG1-CG 4.33Å; V263-Y305 WeakPolarHBondContact CG1-O 3.45Å; V263-L309 HydrophobicContact CG1-CB 4.02Å; V263-F333 HydrophobicContact CG2-CB 4.48Å; V263-F333 HydrophobicContact CG2-CD1 3.77Å; V263-F333 HydrophobicContact CG2-CD2 3.98Å; V263-F333 HydrophobicContact CG2-CE1 4.03Å; V263-F333 HydrophobicContact CG2-CE2 4.24Å; V263-F333 HydrophobicContact CG2-CG 3.78Å; V263-F333 HydrophobicContact CG2-CZ 4.29Å
264	K	97.7	Very high	96	Very high	115 Å²	115	29 Å²	29	50%	0.5	15%	0.145	S	C	.	.	H	α-helix	trans	-61.3	-43.7	174.1	-169.8	-170.7	-179.6	-149.8	0	112.2	R260 Q261 F262 L266 L267 E268 L309	R260-K264 WeakPolarHBondContact O-CB 3.29Å; R260-K264 PolarHBondContact O-N 3.01Å; Q261-K264 WeakPolarHBondContact O-CB 3.48Å; Q261-K264 PolarHBondContact O-N 2.71Å; F262-K264 PolarHBondContact O-N 3.3Å; K264-L266 VanDerWaalsContact C-N 3.35Å; K264-L267 WeakPolarHBondContact O-CB 3.47Å; K264-L267 PolarHBondContact O-N 3.33Å; K264-E268 WeakPolarHBondContact CE-OE1 3.19Å; K264-E268 IonicContact NZ-OE1 3.14Å; K264-E268 PolarHBondContact NZ-OE1 3.41Å; K264-E268 WeakPolarHBondContact O-CG 3.27Å; K264-E268 PolarHBondContact O-N 3.43Å; K264-L309 HydrophobicContact CB-CD2 4.49Å
265	L	97.8	Very high	95.8	Very high	26 Å²	26	32 Å²	32	14%	0.136	17%	0.165	C	C	.	.	H	α-helix	trans	-64.1	-39.8	176.6	-66.3	171.8	0	0	0	111.9	Q261 F262 L267 E268 E269 I761 F768	Q261-L265 WeakPolarHBondContact O-CG 3.47Å; Q261-L265 PolarHBondContact O-N 3.21Å; Q261-L265 VanDerWaalsContact O-N 3.09Å; F262-L265 WeakPolarHBondContact O-CB 3.35Å; F262-L265 PolarHBondContact O-N 2.97Å; L265-L267 VanDerWaalsContact C-N 3.32Å; L265-L267 PolarHBondContact O-N 3.37Å; L265-E268 PolarHBondContact O-N 2.91Å; L265-E269 WeakPolarHBondContact O-CB 3.05Å; L265-E269 PolarHBondContact O-N 2.87Å; L265-I761 HydrophobicContact CD1-CB 4.15Å; L265-I761 HydrophobicContact CD1-CG2 3.71Å; L265-F768 HydrophobicContact CD1-CD1 4.25Å; L265-F768 HydrophobicContact CD1-CE1 4.14Å
266	L	97.4	Very high	95.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-39.5	176	-57.8	-178.1	0	0	0	112	F262 V263 K264 E269 D270 Y305 F333 D675 R765	F262-L266 HydrophobicContact CD1-CD1 3.93Å; F262-L266 HydrophobicContact CD1-CG 4.27Å; F262-L266 HydrophobicContact CE1-CD1 3.54Å; F262-L266 HydrophobicContact CE1-CD2 4.13Å; F262-L266 HydrophobicContact CE1-CG 4.02Å; F262-L266 HydrophobicContact CZ-CD1 4.21Å; F262-L266 HydrophobicContact CZ-CD2 3.96Å; F262-L266 HydrophobicContact CZ-CG 4.33Å; F262-L266 WeakPolarHBondContact O-CG 3.47Å; F262-L266 PolarHBondContact O-N 3.44Å; F262-L266 VanDerWaalsContact O-N 3.09Å; V263-L266 PolarHBondContact O-N 3.35Å; K264-L266 VanDerWaalsContact C-N 3.35Å; L266-E269 PolarHBondContact O-N 3.22Å; L266-D270 WeakPolarHBondContact O-CB 3.44Å; L266-D270 PolarHBondContact O-N 3.44Å; L266-Y305 HydrophobicContact CB-CD2 4.45Å; L266-Y305 HydrophobicContact CB-CE2 4.22Å; L266-Y305 HydrophobicContact CD1-CD1 4.31Å; L266-Y305 HydrophobicContact CD1-CE1 3.62Å; L266-Y305 HydrophobicContact CD1-CE2 4.47Å; L266-F333 HydrophobicContact CD1-CE1 4.44Å; L266-D675 HydrophobicContact CD1-CB 3.74Å; L266-R765 HydrophobicContact CD2-CG 4.03Å
267	L	96.9	Very high	95.4	Very high	21 Å²	21	34.2 Å²	34.2	11%	0.11	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-47.3	174.8	-78.4	168.8	0	0	0	111.9	V263 K264 L265 E269 D270 A271 I302 Y305 Q306 L309	V263-L267 HydrophobicContact CG1-CD1 4.31Å; V263-L267 WeakPolarHBondContact O-CG 3.44Å; V263-L267 PolarHBondContact O-N 3.37Å; K264-L267 WeakPolarHBondContact O-CB 3.47Å; K264-L267 PolarHBondContact O-N 3.33Å; L265-L267 VanDerWaalsContact C-N 3.32Å; L265-L267 PolarHBondContact O-N 3.37Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.04Å; L267-D270 PolarHBondContact O-N 3.25Å; L267-A271 WeakPolarHBondContact O-CB 3.33Å; L267-A271 PolarHBondContact O-N 3.47Å; L267-I302 HydrophobicContact CD2-CB 4.45Å; L267-I302 HydrophobicContact CD2-CG2 3.92Å; L267-I302 WeakPolarHBondContact CD2-O 3.1Å; L267-Y305 VanDerWaalsContact CD2-CB 3.4Å; L267-Y305 HydrophobicContact CD2-CD2 4.49Å; L267-Y305 HydrophobicContact CD2-CG 4.41Å; L267-Q306 HydrophobicContact CD1-CG 4.13Å; L267-Q306 HydrophobicContact CD2-CG 3.69Å; L267-L309 HydrophobicContact CD1-CD2 3.87Å
268	E	95.3	Very high	95.1	Very high	99 Å²	99	37.3 Å²	37.3	46%	0.463	19%	0.19	S	C	.	.	H	α-helix	trans	-60.9	-42.4	177.4	-71.2	169.9	-172.1	0	0	110.8	K264 L265 A272	K264-E268 WeakPolarHBondContact CE-OE1 3.19Å; K264-E268 IonicContact NZ-OE1 3.14Å; K264-E268 PolarHBondContact NZ-OE1 3.41Å; K264-E268 WeakPolarHBondContact O-CG 3.27Å; K264-E268 PolarHBondContact O-N 3.43Å; L265-E268 PolarHBondContact O-N 2.91Å; E268-A272 WeakPolarHBondContact O-CB 3.1Å; E268-A272 PolarHBondContact O-N 2.92Å
269	E	94.7	Very high	94.8	Very high	24 Å²	24	42 Å²	42	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-47.8	177.9	-168	-170.8	131.6	0	0	112.6	L265 L266 L267 A272 R273 N764 R765	L265-E269 WeakPolarHBondContact O-CB 3.05Å; L265-E269 PolarHBondContact O-N 2.87Å; L266-E269 PolarHBondContact O-N 3.22Å; L267-E269 VanDerWaalsContact C-N 3.32Å; L267-E269 PolarHBondContact O-N 3.04Å; E269-A272 PolarHBondContact O-N 3.24Å; E269-R273 PolarHBondContact O-N 2.97Å; E269-R273 VanDerWaalsContact O-N 3.17Å; E269-R273 IonicContact OE1-CZ 2.69Å; E269-R273 IonicContact OE1-NH1 3.98Å; E269-R273 PolarHBondContact OE1-NH1 3.49Å; E269-R273 IonicContact OE1-NH2 2.74Å; E269-R273 PolarHBondContact OE1-NH2 3.38Å; E269-N764 WeakPolarHBondContact OE2-CB 3.32Å; E269-R765 WeakPolarHBondContact OE1-CD 3.44Å; E269-R765 IonicContact OE1-CZ 3.35Å; E269-R765 IonicContact OE1-NH1 3.39Å; E269-R765 PolarHBondContact OE1-NH1 3.05Å; E269-R765 WeakPolarHBondContact OE2-CG 3.49Å; E269-R765 PolarHBondContact OE2-N 2.84Å; E269-R765 IonicContact OE2-NH1 2.82Å
270	D	95.3	Very high	94.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-74.4	-32.6	-177.7	-68.9	-23.2	0	0	0	112.1	L266 L267 R273 V274 Y298 I302 Y305 R765	L266-D270 WeakPolarHBondContact O-CB 3.44Å; L266-D270 PolarHBondContact O-N 3.44Å; L267-D270 PolarHBondContact O-N 3.25Å; D270-R273 PolarHBondContact O-N 2.97Å; D270-R273 IonicContact OD1-NH1 3.02Å; D270-R273 PolarHBondContact OD1-NH1 2.83Å; D270-V274 PolarHBondContact O-N 3.14Å; D270-Y298 HydrophobicContact CB-CD1 4.21Å; D270-I302 HydrophobicContact CB-CD1 4.22Å; D270-I302 HydrophobicContact CB-CG1 3.88Å; D270-Y305 WeakPolarHBondContact OD2-CE2 3.46Å; D270-R765 IonicContact OD1-CZ 3.42Å; D270-R765 IonicContact OD1-NH1 3.57Å; D270-R765 PolarHBondContact OD1-NH1 3.29Å; D270-R765 IonicContact OD1-NH2 2.69Å; D270-R765 IonicContact OD2-CZ 2.73Å; D270-R765 IonicContact OD2-NH1 3.39Å; D270-R765 PolarHBondContact OD2-NH1 2.79Å; D270-R765 IonicContact OD2-NH2 3.45Å; D270-R765 PolarHBondContact OD2-NH2 3.03Å
271	A	95.3	Very high	93.8	Very high	39 Å²	39	40.5 Å²	40.5	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-65.1	-42.3	171.2	0	0	0	0	0	111.6	L267 R273 V274 C275	L267-A271 WeakPolarHBondContact O-CB 3.33Å; L267-A271 PolarHBondContact O-N 3.47Å; A271-R273 VanDerWaalsContact C-N 3.29Å; A271-R273 PolarHBondContact O-N 3.18Å; A271-V274 PolarHBondContact O-N 2.83Å; A271-V274 VanDerWaalsContact O-N 3.13Å; A271-C275 PolarHBondContact O-N 3.05Å; A271-C275 PolarHBondContact O-SG 3.26Å; A271-C275 VanDerWaalsContact O-SG 3.42Å
272	A	92.5	Very high	93.2	Very high	47 Å²	47	45.9 Å²	45.9	39%	0.388	24%	0.242	S	C	.	.	H	α-helix	trans	-59.6	-39.4	175.2	0	0	0	0	0	111.9	E268 E269 V274 C275 E276	E268-A272 WeakPolarHBondContact O-CB 3.1Å; E268-A272 PolarHBondContact O-N 2.92Å; E269-A272 PolarHBondContact O-N 3.24Å; A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 3.05Å; A272-C275 PolarHBondContact O-N 3.44Å; A272-E276 WeakPolarHBondContact O-CG 3.47Å; A272-E276 PolarHBondContact O-N 3.35Å
273	R	90.9	Very high	92.7	Very high	68 Å²	68	46.4 Å²	46.4	26%	0.257	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-38.3	174.5	-73.1	-174.5	176.7	113.6	8.7	113.2	E269 D270 A271 E276 L277 Y298 R765	E269-R273 PolarHBondContact O-N 2.97Å; E269-R273 VanDerWaalsContact O-N 3.17Å; E269-R273 IonicContact OE1-CZ 2.69Å; E269-R273 IonicContact OE1-NH1 3.98Å; E269-R273 PolarHBondContact OE1-NH1 3.49Å; E269-R273 IonicContact OE1-NH2 2.74Å; E269-R273 PolarHBondContact OE1-NH2 3.38Å; D270-R273 PolarHBondContact O-N 2.97Å; D270-R273 IonicContact OD1-NH1 3.02Å; D270-R273 PolarHBondContact OD1-NH1 2.83Å; A271-R273 VanDerWaalsContact C-N 3.29Å; A271-R273 PolarHBondContact O-N 3.18Å; R273-E276 PolarHBondContact O-N 3.03Å; R273-L277 WeakPolarHBondContact O-CG 3.45Å; R273-L277 PolarHBondContact O-N 3.44Å; R273-L277 VanDerWaalsContact O-N 3.17Å; R273-Y298 HydrophobicContact CB-CE1 4.42Å; R273-Y298 WeakPolarHBondContact CD-OH 3.41Å; R273-R765 VanDerWaalsContact NH1-NH1 3.18Å
274	V	93.5	Very high	91.9	Very high	12 Å²	12	46.6 Å²	46.6	7%	0.073	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-45.9	175.5	172.9	0	0	0	0	110.3	D270 A271 A272 E276 L277 E278 V295 Y298 I302	D270-V274 PolarHBondContact O-N 3.14Å; A271-V274 PolarHBondContact O-N 2.83Å; A271-V274 VanDerWaalsContact O-N 3.13Å; A272-V274 VanDerWaalsContact C-N 3.34Å; A272-V274 PolarHBondContact O-N 3.05Å; V274-E276 VanDerWaalsContact C-N 3.32Å; V274-E276 PolarHBondContact O-N 2.91Å; V274-L277 PolarHBondContact O-N 3.49Å; V274-L277 VanDerWaalsContact O-N 3.15Å; V274-E278 HydrophobicContact CG1-CG 4.48Å; V274-E278 WeakPolarHBondContact O-CG 3.36Å; V274-E278 PolarHBondContact O-N 3.35Å; V274-V295 HydrophobicContact CG1-CG1 3.96Å; V274-Y298 HydrophobicContact CG2-CG 4.27Å; V274-I302 HydrophobicContact CG2-CD1 3.93Å
275	C	92.9	Very high	91.2	Very high	61 Å²	61	46.3 Å²	46.3	41%	0.412	26%	0.256	S	S	.	.	H	α-helix	trans	-58.4	-43.5	175.5	-63.8	0	0	0	0	111.8	A271 A272 L277 E278 E279	A271-C275 PolarHBondContact O-N 3.05Å; A271-C275 PolarHBondContact O-SG 3.26Å; A271-C275 VanDerWaalsContact O-SG 3.42Å; A272-C275 PolarHBondContact O-N 3.44Å; C275-L277 VanDerWaalsContact C-N 3.29Å; C275-L277 PolarHBondContact O-N 3.11Å; C275-E278 PolarHBondContact O-N 3.16Å; C275-E278 VanDerWaalsContact O-N 3.17Å; C275-E279 WeakPolarHBondContact O-CB 3.17Å; C275-E279 VanDerWaalsContact O-CG 3.3Å; C275-E279 WeakPolarHBondContact O-CG 3.27Å; C275-E279 PolarHBondContact O-N 2.87Å
276	E	90.3	Very high	90.4	Very high	54 Å²	54	47.6 Å²	47.6	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-61	-35.1	177.4	-73.5	-179.8	164.2	0	0	113.2	A272 R273 V274 K649 V653	A272-E276 WeakPolarHBondContact O-CG 3.47Å; A272-E276 PolarHBondContact O-N 3.35Å; R273-E276 PolarHBondContact O-N 3.03Å; V274-E276 VanDerWaalsContact C-N 3.32Å; V274-E276 PolarHBondContact O-N 2.91Å; E276-K649 WeakPolarHBondContact OE1-CE 3.26Å; E276-K649 IonicContact OE1-NZ 3.43Å; E276-K649 PolarHBondContact OE1-NZ 3.26Å; E276-V653 HydrophobicContact CB-CG1 4.48Å; E276-V653 HydrophobicContact CB-CG2 4.46Å
277	L	90.4	Very high	89.7	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.058	28%	0.279	C	S	.	.	H	α-helix	trans	-71.9	-39	175.4	-70.4	168.8	0	0	0	111.8	R273 V274 C275 E279 L280 R291 I294 V295 V653 M657	R273-L277 WeakPolarHBondContact O-CG 3.45Å; R273-L277 PolarHBondContact O-N 3.44Å; R273-L277 VanDerWaalsContact O-N 3.17Å; V274-L277 PolarHBondContact O-N 3.49Å; V274-L277 VanDerWaalsContact O-N 3.15Å; C275-L277 VanDerWaalsContact C-N 3.29Å; C275-L277 PolarHBondContact O-N 3.11Å; L277-E279 VanDerWaalsContact C-N 3.35Å; L277-L280 HydrophobicContact CD2-CD1 4.36Å; L277-L280 WeakPolarHBondContact O-CB 3.42Å; L277-L280 WeakPolarHBondContact O-CG 3.48Å; L277-L280 PolarHBondContact O-N 3.23Å; L277-R291 HydrophobicContact CB-CG 4.37Å; L277-R291 WeakPolarHBondContact O-CD 3.34Å; L277-R291 PolarHBondContact O-NH1 3.03Å; L277-I294 HydrophobicContact CD1-CB 4.5Å; L277-I294 HydrophobicContact CD1-CG2 3.61Å; L277-V295 HydrophobicContact CB-CG2 4.11Å; L277-V295 HydrophobicContact CD1-CG2 3.92Å; L277-V653 HydrophobicContact CD2-CG1 4.08Å; L277-M657 HydrophobicContact CD2-CB 4.12Å; L277-M657 HydrophobicContact CD2-CG 3.99Å; L277-M657 HydrophobicContact CD2-SD 4.14Å
278	E	90.1	Very high	89.2	Confident	105 Å²	105	51.1 Å²	51.1	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-37.2	176.2	-69.5	173.7	169.6	0	0	111.5	V274 C275 L280 G281 R291	V274-E278 HydrophobicContact CG1-CG 4.48Å; V274-E278 WeakPolarHBondContact O-CG 3.36Å; V274-E278 PolarHBondContact O-N 3.35Å; C275-E278 PolarHBondContact O-N 3.16Å; C275-E278 VanDerWaalsContact O-N 3.17Å; E278-L280 PolarHBondContact O-N 2.98Å; E278-L280 VanDerWaalsContact O-N 3.11Å; E278-G281 PolarHBondContact O-N 3.47Å; E278-R291 PolarHBondContact O-NH1 3.48Å
279	E	90.2	Very high	88.7	Confident	98 Å²	98	49.1 Å²	49.1	46%	0.458	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.8	176.4	-77.4	174.4	-178	0	0	114.2	C275 L277 G281 K650	C275-E279 WeakPolarHBondContact O-CB 3.17Å; C275-E279 VanDerWaalsContact O-CG 3.3Å; C275-E279 WeakPolarHBondContact O-CG 3.27Å; C275-E279 PolarHBondContact O-N 2.87Å; L277-E279 VanDerWaalsContact C-N 3.35Å; E279-G281 PolarHBondContact O-N 3.44Å; E279-G281 VanDerWaalsContact O-N 3.08Å; E279-K650 WeakPolarHBondContact O-CE 3.41Å
280	L	87.9	Confident	88.2	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.6	173.8	-67.9	178	0	0	0	113.3	L277 E278 L283 K650 V653 F654 M657	L277-L280 HydrophobicContact CD2-CD1 4.36Å; L277-L280 WeakPolarHBondContact O-CB 3.42Å; L277-L280 WeakPolarHBondContact O-CG 3.48Å; L277-L280 PolarHBondContact O-N 3.23Å; E278-L280 PolarHBondContact O-N 2.98Å; E278-L280 VanDerWaalsContact O-N 3.11Å; L280-L283 HydrophobicContact CB-CD1 4.34Å; L280-L283 HydrophobicContact CD1-CD1 4.29Å; L280-K650 HydrophobicContact CD2-CB 4.11Å; L280-K650 WeakPolarHBondContact CD2-O 3.49Å; L280-V653 HydrophobicContact CD1-CG1 4.25Å; L280-V653 HydrophobicContact CD2-CB 4.08Å; L280-V653 HydrophobicContact CD2-CG1 3.95Å; L280-V653 HydrophobicContact CG-CG1 4.21Å; L280-F654 HydrophobicContact CD1-CD2 4.46Å; L280-F654 HydrophobicContact CD2-CB 4.11Å; L280-M657 HydrophobicContact CD1-SD 3.89Å
281	G	86.4	Confident	87.9	Confident	35 Å²	35	50.8 Å²	50.8	36%	0.361	28%	0.284	S	S	.	.			trans	82.5	-152.5	179.7	0	0	0	0	0	112.5	E278 E279 R291	E278-G281 PolarHBondContact O-N 3.47Å; E279-G281 PolarHBondContact O-N 3.44Å; E279-G281 VanDerWaalsContact O-N 3.08Å; G281-R291 PolarHBondContact O-NH1 2.89Å
282	E	85	Confident	87.6	Confident	147 Å²	147	55.4 Å²	55.4	69%	0.687	29%	0.293	S	S	*	.			trans	-77.9	125.8	179.5	-63.9	-169.6	176.1	0	0	111.5	P479	E282-P479 HydrophobicContact CB-CG 4.35Å; E282-P479 WeakPolarHBondContact O-CD 3.36Å
283	L	87.8	Confident	87.4	Confident	11 Å²	11	57.5 Å²	57.5	6%	0.058	30%	0.295	C	S	.	.			trans	-118.5	153	177.4	-62.3	173.9	0	0	0	109.6	L280 W287 E288 L474 A477 F654 M657	L280-L283 HydrophobicContact CB-CD1 4.34Å; L280-L283 HydrophobicContact CD1-CD1 4.29Å; L283-W287 HydrophobicContact CB-CB 3.96Å; L283-W287 HydrophobicContact CD1-CB 4.3Å; L283-E288 HydrophobicContact CB-CB 4.46Å; L283-L474 HydrophobicContact CD2-CD1 3.96Å; L283-A477 HydrophobicContact CD2-CB 4.22Å; L283-F654 HydrophobicContact CD2-CD2 4.49Å; L283-F654 HydrophobicContact CD2-CE2 4.34Å; L283-M657 HydrophobicContact CD1-CE 4.22Å
284	S	81.8	Confident	87.4	Confident	4 Å²	4	54.3 Å²	54.3	3%	0.028	28%	0.283	C	S	.	.			trans	-59.1	157.7	173.6	74.3	0	0	0	0	111.7	C286 W287 E288 A477 I482	S284-C286 VanDerWaalsContact C-N 3.27Å; S284-C286 PolarHBondContact O-N 3.31Å; S284-C286 PolarHBondContact OG-SG 3.06Å; S284-C286 VanDerWaalsContact OG-SG 3.39Å; S284-W287 PolarHBondContact O-N 3.28Å; S284-W287 VanDerWaalsContact O-N 3.11Å; S284-E288 WeakPolarHBondContact O-CB 3.44Å; S284-E288 PolarHBondContact O-N 3.16Å; S284-A477 WeakPolarHBondContact CB-O 3.36Å; S284-A477 PolarHBondContact N-O 2.85Å; S284-I482 VanDerWaalsContact CB-CD1 3.43Å
285	P	82.5	Confident	87.4	Confident	109 Å²	109	54.3 Å²	54.3	71%	0.708	28%	0.283	S	S	*	.	H	α-helix	trans	-53.7	-34.6	-171.1	-29.7	35.8	0	0	0	116	S289	P285-S289 WeakPolarHBondContact O-CB 3.41Å; P285-S289 PolarHBondContact O-N 2.93Å
286	C	80.9	Confident	87.4	Confident	53 Å²	53	54.7 Å²	54.7	36%	0.358	28%	0.283	S	S	.	.	H	α-helix	trans	-70.7	-46.3	179.1	59.1	0	0	0	0	112.4	S284 E288 S289 L290	S284-C286 VanDerWaalsContact C-N 3.27Å; S284-C286 PolarHBondContact O-N 3.31Å; S284-C286 PolarHBondContact OG-SG 3.06Å; S284-C286 VanDerWaalsContact OG-SG 3.39Å; C286-E288 VanDerWaalsContact C-N 3.34Å; C286-S289 WeakPolarHBondContact O-CB 3.25Å; C286-S289 PolarHBondContact O-N 3.33Å; C286-L290 PolarHBondContact O-N 3.02Å; C286-L290 VanDerWaalsContact O-N 3.13Å
287	W	82.6	Confident	87.5	Confident	65 Å²	65	55.1 Å²	55.1	25%	0.246	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-35.5	176.7	-66.7	123.7	0	0	0	111.9	L283 S284 L290 R291 A477 F654 M657 Q658	L283-W287 HydrophobicContact CB-CB 3.96Å; L283-W287 HydrophobicContact CD1-CB 4.3Å; S284-W287 PolarHBondContact O-N 3.28Å; S284-W287 VanDerWaalsContact O-N 3.11Å; W287-L290 HydrophobicContact CE3-CD2 3.86Å; W287-L290 HydrophobicContact CZ3-CD2 3.83Å; W287-L290 WeakPolarHBondContact O-CB 3.38Å; W287-L290 PolarHBondContact O-N 3.26Å; W287-R291 WeakPolarHBondContact O-CB 3.28Å; W287-R291 PolarHBondContact O-N 2.93Å; W287-A477 HydrophobicContact CG-CB 4.03Å; W287-F654 HydrophobicContact CB-CE2 4.49Å; W287-F654 HydrophobicContact CD2-CE2 4.01Å; W287-F654 AromaticContact CD2-CZ 3.85Å; W287-F654 HydrophobicContact CD2-CZ 3.85Å; W287-F654 AromaticContact CE2-CZ 3.9Å; W287-F654 HydrophobicContact CE3-CE2 4.1Å; W287-F654 HydrophobicContact CE3-CZ 4.1Å; W287-F654 HydrophobicContact CG-CE2 4.19Å; W287-F654 HydrophobicContact CG-CZ 4.27Å; W287-F654 HydrophobicContact CH2-CZ 4.44Å; W287-F654 HydrophobicContact CZ2-CZ 4.2Å; W287-F654 HydrophobicContact CZ3-CZ 4.41Å; W287-M657 HydrophobicContact CE3-CE 4.2Å; W287-Q658 HydrophobicContact CE3-CG 4.49Å; W287-Q658 HydrophobicContact CH2-CG 3.85Å; W287-Q658 HydrophobicContact CZ3-CG 3.58Å
288	E	87	Confident	87.8	Confident	29 Å²	29	55.6 Å²	55.6	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-40	174.5	-173.4	57.4	-147.9	0	0	112.1	L283 S284 C286 L290 R291 R292	L283-E288 HydrophobicContact CB-CB 4.46Å; S284-E288 WeakPolarHBondContact O-CB 3.44Å; S284-E288 PolarHBondContact O-N 3.16Å; C286-E288 VanDerWaalsContact C-N 3.34Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 2.69Å; E288-R291 PolarHBondContact O-N 3.07Å; E288-R291 IonicContact OE1-CZ 3.84Å; E288-R291 IonicContact OE1-NE 2.9Å; E288-R291 PolarHBondContact OE1-NE 3.29Å; E288-R291 VanDerWaalsContact OE1-NE 3.16Å; E288-R291 IonicContact OE1-NH2 2.88Å; E288-R291 PolarHBondContact OE1-NH2 3.19Å; E288-R291 IonicContact OE2-CZ 3.1Å; E288-R291 IonicContact OE2-NE 2.91Å; E288-R291 PolarHBondContact OE2-NE 3.03Å; E288-R291 VanDerWaalsContact OE2-NE 3.12Å; E288-R291 IonicContact OE2-NH1 3.53Å; E288-R291 IonicContact OE2-NH2 3Å; E288-R291 PolarHBondContact OE2-NH2 3Å; E288-R292 VanDerWaalsContact CG-NH1 3.27Å; E288-R292 WeakPolarHBondContact O-CB 3.35Å; E288-R292 WeakPolarHBondContact O-CG 3.41Å; E288-R292 PolarHBondContact O-N 3.14Å; E288-R292 IonicContact OE1-NH1 3.13Å
289	S	84.2	Confident	88	Confident	58 Å²	58	54.8 Å²	54.8	41%	0.406	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-43.4	172.6	-166.6	0	0	0	0	111.5	P285 C286 R292 Q293	P285-S289 WeakPolarHBondContact O-CB 3.41Å; P285-S289 PolarHBondContact O-N 2.93Å; C286-S289 WeakPolarHBondContact O-CB 3.25Å; C286-S289 PolarHBondContact O-N 3.33Å; S289-R292 PolarHBondContact O-N 3.06Å; S289-Q293 PolarHBondContact O-N 3.21Å
290	L	84.6	Confident	88.3	Confident	25 Å²	25	53.6 Å²	53.6	13%	0.131	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-47.6	176.9	-160.2	69.9	0	0	0	112.1	C286 W287 E288 R292 Q293 I294 M657 A661	C286-L290 PolarHBondContact O-N 3.02Å; C286-L290 VanDerWaalsContact O-N 3.13Å; W287-L290 HydrophobicContact CE3-CD2 3.86Å; W287-L290 HydrophobicContact CZ3-CD2 3.83Å; W287-L290 WeakPolarHBondContact O-CB 3.38Å; W287-L290 PolarHBondContact O-N 3.26Å; E288-L290 VanDerWaalsContact C-N 3.32Å; E288-L290 PolarHBondContact O-N 2.69Å; L290-R292 PolarHBondContact O-N 2.91Å; L290-Q293 WeakPolarHBondContact O-CB 3.31Å; L290-Q293 PolarHBondContact O-N 3.03Å; L290-I294 PolarHBondContact O-N 3.17Å; L290-M657 HydrophobicContact CD2-CE 4.45Å; L290-A661 HydrophobicContact CD1-CB 3.26Å; L290-A661 HydrophobicContact CD2-CB 3.78Å; L290-A661 HydrophobicContact CG-CB 3.56Å
291	R	89.4	Confident	88.6	Confident	34 Å²	34	54.5 Å²	54.5	13%	0.128	29%	0.287	C	S	.	.	H	α-helix	trans	-55.9	-51.4	175.2	-179	174.8	70.7	175.8	4.2	110.5	L277 E278 G281 W287 E288 Q293 I294 V295 M657	L277-R291 HydrophobicContact CB-CG 4.37Å; L277-R291 WeakPolarHBondContact O-CD 3.34Å; L277-R291 PolarHBondContact O-NH1 3.03Å; E278-R291 PolarHBondContact O-NH1 3.48Å; G281-R291 PolarHBondContact O-NH1 2.89Å; W287-R291 WeakPolarHBondContact O-CB 3.28Å; W287-R291 PolarHBondContact O-N 2.93Å; E288-R291 PolarHBondContact O-N 3.07Å; E288-R291 IonicContact OE1-CZ 3.84Å; E288-R291 IonicContact OE1-NE 2.9Å; E288-R291 PolarHBondContact OE1-NE 3.29Å; E288-R291 VanDerWaalsContact OE1-NE 3.16Å; E288-R291 IonicContact OE1-NH2 2.88Å; E288-R291 PolarHBondContact OE1-NH2 3.19Å; E288-R291 IonicContact OE2-CZ 3.1Å; E288-R291 IonicContact OE2-NE 2.91Å; E288-R291 PolarHBondContact OE2-NE 3.03Å; E288-R291 VanDerWaalsContact OE2-NE 3.12Å; E288-R291 IonicContact OE2-NH1 3.53Å; E288-R291 IonicContact OE2-NH2 3Å; E288-R291 PolarHBondContact OE2-NH2 3Å; R291-Q293 VanDerWaalsContact C-N 3.29Å; R291-Q293 PolarHBondContact O-N 3.22Å; R291-I294 PolarHBondContact O-N 2.99Å; R291-V295 HydrophobicContact CG-CG2 4.16Å; R291-V295 WeakPolarHBondContact O-CB 3.41Å; R291-V295 VanDerWaalsContact O-CG2 3.32Å; R291-V295 WeakPolarHBondContact O-CG2 3.14Å; R291-V295 PolarHBondContact O-N 3.35Å; R291-M657 HydrophobicContact CB-SD 3.76Å; R291-M657 HydrophobicContact CG-SD 4.21Å
292	R	89.4	Confident	89.1	Confident	136 Å²	136	53.9 Å²	53.9	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-39.9	178.3	-78.9	-168.8	-70.6	-108.9	0.1	112.4	E288 S289 L290 T296	E288-R292 VanDerWaalsContact CG-NH1 3.27Å; E288-R292 WeakPolarHBondContact O-CB 3.35Å; E288-R292 WeakPolarHBondContact O-CG 3.41Å; E288-R292 PolarHBondContact O-N 3.14Å; E288-R292 IonicContact OE1-NH1 3.13Å; S289-R292 PolarHBondContact O-N 3.06Å; L290-R292 PolarHBondContact O-N 2.91Å; R292-T296 VanDerWaalsContact O-CB 3.31Å; R292-T296 WeakPolarHBondContact O-CB 3.38Å; R292-T296 PolarHBondContact O-N 3.29Å; R292-T296 PolarHBondContact O-OG1 2.93Å
293	Q	88.6	Confident	89.7	Confident	91 Å²	91	52.2 Å²	52.2	43%	0.425	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-49.7	175.8	-177.7	-178.7	-13.1	0	0	111.2	S289 L290 R291 T296 Q297	S289-Q293 PolarHBondContact O-N 3.21Å; L290-Q293 WeakPolarHBondContact O-CB 3.31Å; L290-Q293 PolarHBondContact O-N 3.03Å; R291-Q293 VanDerWaalsContact C-N 3.29Å; R291-Q293 PolarHBondContact O-N 3.22Å; Q293-T296 PolarHBondContact O-N 2.96Å; Q293-Q297 WeakPolarHBondContact O-CG 3.43Å; Q293-Q297 PolarHBondContact O-N 3.46Å
294	I	89.9	Confident	90.1	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-48.4	178.8	-68.4	165.2	0	0	0	110.9	L277 L290 R291 T296 Q297 Y298 M657 A661 I664	L277-I294 HydrophobicContact CD1-CB 4.5Å; L277-I294 HydrophobicContact CD1-CG2 3.61Å; L290-I294 PolarHBondContact O-N 3.17Å; R291-I294 PolarHBondContact O-N 2.99Å; I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 3.37Å; I294-Q297 PolarHBondContact O-N 2.98Å; I294-Q297 VanDerWaalsContact O-N 3.1Å; I294-Y298 HydrophobicContact CG2-CD2 3.73Å; I294-Y298 HydrophobicContact CG2-CE2 3.64Å; I294-Y298 WeakPolarHBondContact O-CD2 3.38Å; I294-Y298 PolarHBondContact O-N 3.02Å; I294-M657 HydrophobicContact CD1-CB 4.41Å; I294-M657 HydrophobicContact CD1-CG 3.45Å; I294-M657 VanDerWaalsContact CD1-CG 3.45Å; I294-M657 WeakPolarHBondContact CD1-O 3.37Å; I294-A661 HydrophobicContact CD1-CB 3.99Å; I294-A661 HydrophobicContact CG1-CB 4.4Å; I294-I664 HydrophobicContact CG1-CG2 4.27Å; I294-I664 HydrophobicContact CG2-CG1 4.28Å
295	V	93.1	Very high	90.9	Very high	12 Å²	12	53.3 Å²	53.3	7%	0.073	28%	0.277	C	S	.	.	H	α-helix	trans	-58.5	-42.6	178.9	168.8	0	0	0	0	111	V274 L277 R291 Q297 Y298 Q299	V274-V295 HydrophobicContact CG1-CG1 3.96Å; L277-V295 HydrophobicContact CB-CG2 4.11Å; L277-V295 HydrophobicContact CD1-CG2 3.92Å; R291-V295 HydrophobicContact CG-CG2 4.16Å; R291-V295 WeakPolarHBondContact O-CB 3.41Å; R291-V295 VanDerWaalsContact O-CG2 3.32Å; R291-V295 WeakPolarHBondContact O-CG2 3.14Å; R291-V295 PolarHBondContact O-N 3.35Å; V295-Q297 VanDerWaalsContact C-N 3.29Å; V295-Q297 PolarHBondContact O-N 2.96Å; V295-Y298 PolarHBondContact O-N 3.09Å; V295-Q299 HydrophobicContact CG1-CG 4.13Å; V295-Q299 WeakPolarHBondContact O-CB 3.45Å; V295-Q299 VanDerWaalsContact O-CG 3.28Å; V295-Q299 WeakPolarHBondContact O-CG 3.37Å; V295-Q299 PolarHBondContact O-N 3.47Å
296	T	93.3	Very high	91.6	Very high	68 Å²	68	52.5 Å²	52.5	42%	0.417	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-38.6	177.3	-57.8	0	0	0	0	111.8	R292 Q293 I294 T300	R292-T296 VanDerWaalsContact O-CB 3.31Å; R292-T296 WeakPolarHBondContact O-CB 3.38Å; R292-T296 PolarHBondContact O-N 3.29Å; R292-T296 PolarHBondContact O-OG1 2.93Å; Q293-T296 PolarHBondContact O-N 2.96Å; I294-T296 VanDerWaalsContact C-N 3.3Å; I294-T296 PolarHBondContact O-N 3.37Å; T296-T300 PolarHBondContact O-N 2.78Å; T296-T300 PolarHBondContact O-OG1 2.75Å
297	Q	93.2	Very high	92.4	Very high	64 Å²	64	54.6 Å²	54.6	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-68.5	-43.1	177.2	-62.5	-60.3	-49.9	0	0	111.7	Q293 I294 V295 T300 I301 I664 A665 L668	Q293-Q297 WeakPolarHBondContact O-CG 3.43Å; Q293-Q297 PolarHBondContact O-N 3.46Å; I294-Q297 PolarHBondContact O-N 2.98Å; I294-Q297 VanDerWaalsContact O-N 3.1Å; V295-Q297 VanDerWaalsContact C-N 3.29Å; V295-Q297 PolarHBondContact O-N 2.96Å; Q297-T300 WeakPolarHBondContact O-CB 3.39Å; Q297-T300 PolarHBondContact O-N 2.88Å; Q297-I301 PolarHBondContact O-N 2.91Å; Q297-I664 HydrophobicContact CB-CG1 4.4Å; Q297-I664 HydrophobicContact CG-CG2 4.11Å; Q297-A665 HydrophobicContact CG-CB 4.41Å; Q297-L668 HydrophobicContact CB-CD1 3.75Å
298	Y	95.1	Very high	93	Very high	21 Å²	21	51.6 Å²	51.6	8%	0.082	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-45.8	173.2	-83.5	-72.6	0	0	0	112	D270 R273 V274 I294 V295 T300 I301 I302 I664 L668	D270-Y298 HydrophobicContact CB-CD1 4.21Å; R273-Y298 HydrophobicContact CB-CE1 4.42Å; R273-Y298 WeakPolarHBondContact CD-OH 3.41Å; V274-Y298 HydrophobicContact CG2-CG 4.27Å; I294-Y298 HydrophobicContact CG2-CD2 3.73Å; I294-Y298 HydrophobicContact CG2-CE2 3.64Å; I294-Y298 WeakPolarHBondContact O-CD2 3.38Å; I294-Y298 PolarHBondContact O-N 3.02Å; V295-Y298 PolarHBondContact O-N 3.09Å; Y298-T300 VanDerWaalsContact C-N 3.26Å; Y298-T300 PolarHBondContact O-N 3.29Å; Y298-I301 PolarHBondContact O-N 3.32Å; Y298-I301 VanDerWaalsContact O-N 3.1Å; Y298-I302 WeakPolarHBondContact O-CB 3.46Å; Y298-I302 VanDerWaalsContact O-CG1 3.26Å; Y298-I302 WeakPolarHBondContact O-CG1 3.42Å; Y298-I302 PolarHBondContact O-N 3.46Å; Y298-I664 HydrophobicContact CE2-CD1 3.94Å; Y298-L668 HydrophobicContact CD1-CD1 4.17Å; Y298-L668 HydrophobicContact CD1-CD2 4.04Å; Y298-L668 HydrophobicContact CD2-CD1 4.42Å; Y298-L668 HydrophobicContact CE1-CD1 4.33Å; Y298-L668 HydrophobicContact CE1-CD2 3.6Å; Y298-L668 HydrophobicContact CG-CD1 4.21Å
299	Q	95.7	Very high	93.5	Very high	88 Å²	88	51.6 Å²	51.6	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-57	-40.4	177	-75.2	173.8	-12.1	0	0	111.8	V295 I301 I302 L303	V295-Q299 HydrophobicContact CG1-CG 4.13Å; V295-Q299 WeakPolarHBondContact O-CB 3.45Å; V295-Q299 VanDerWaalsContact O-CG 3.28Å; V295-Q299 WeakPolarHBondContact O-CG 3.37Å; V295-Q299 PolarHBondContact O-N 3.47Å; Q299-I301 PolarHBondContact O-N 3.27Å; Q299-I302 PolarHBondContact O-N 3.07Å; Q299-L303 WeakPolarHBondContact O-CB 3.34Å; Q299-L303 VanDerWaalsContact O-CG 3.28Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 2.97Å
300	T	95.8	Very high	94.1	Very high	73 Å²	73	52.2 Å²	52.2	45%	0.448	26%	0.259	S	S	.	.	H	α-helix	trans	-60.9	-43.6	176.2	-57.8	0	0	0	0	111.9	T296 Q297 Y298 T304	T296-T300 PolarHBondContact O-N 2.78Å; T296-T300 PolarHBondContact O-OG1 2.75Å; Q297-T300 WeakPolarHBondContact O-CB 3.39Å; Q297-T300 PolarHBondContact O-N 2.88Å; Y298-T300 VanDerWaalsContact C-N 3.26Å; Y298-T300 PolarHBondContact O-N 3.29Å; T300-T304 PolarHBondContact O-N 2.67Å; T300-T304 VanDerWaalsContact O-N 3.15Å; T300-T304 PolarHBondContact O-OG1 3.21Å
301	I	95.5	Very high	94.6	Very high	20 Å²	20	52.2 Å²	52.2	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-70.1	-41.9	176.8	-73.6	-149.4	0	0	0	112	Q297 Y298 Q299 L303 T304 Y305 L668	Q297-I301 PolarHBondContact O-N 2.91Å; Y298-I301 PolarHBondContact O-N 3.32Å; Y298-I301 VanDerWaalsContact O-N 3.1Å; Q299-I301 PolarHBondContact O-N 3.27Å; I301-L303 VanDerWaalsContact C-N 3.31Å; I301-L303 PolarHBondContact O-N 3.02Å; I301-T304 CarbonylContact O-C 3.11Å; I301-T304 WeakPolarHBondContact O-CA 3.25Å; I301-T304 VanDerWaalsContact O-CB 3.32Å; I301-T304 WeakPolarHBondContact O-CB 3.3Å; I301-T304 PolarHBondContact O-N 2.84Å; I301-Y305 HydrophobicContact CG2-CD2 3.51Å; I301-Y305 HydrophobicContact CG2-CE2 3.13Å; I301-Y305 WeakPolarHBondContact O-CD2 3.5Å; I301-Y305 PolarHBondContact O-N 2.83Å; I301-L668 HydrophobicContact CD1-CB 3.49Å; I301-L668 VanDerWaalsContact CD1-CB 3.49Å; I301-L668 HydrophobicContact CD1-CD1 4.41Å; I301-L668 HydrophobicContact CD1-CD2 4.27Å; I301-L668 HydrophobicContact CD1-CG 4.25Å; I301-L668 VanDerWaalsContact CD1-O 3.28Å; I301-L668 WeakPolarHBondContact CD1-O 3.26Å; I301-L668 HydrophobicContact CG1-CB 4.39Å
302	I	96.8	Very high	94.9	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-46.6	176.8	-71.5	165.8	0	0	0	109.9	L267 D270 V274 Y298 Q299 T304 Y305 Q306	L267-I302 HydrophobicContact CD2-CB 4.45Å; L267-I302 HydrophobicContact CD2-CG2 3.92Å; L267-I302 WeakPolarHBondContact CD2-O 3.1Å; D270-I302 HydrophobicContact CB-CD1 4.22Å; D270-I302 HydrophobicContact CB-CG1 3.88Å; V274-I302 HydrophobicContact CG2-CD1 3.93Å; Y298-I302 WeakPolarHBondContact O-CB 3.46Å; Y298-I302 VanDerWaalsContact O-CG1 3.26Å; Y298-I302 WeakPolarHBondContact O-CG1 3.42Å; Y298-I302 PolarHBondContact O-N 3.46Å; Q299-I302 PolarHBondContact O-N 3.07Å; I302-T304 VanDerWaalsContact C-N 3.27Å; I302-T304 PolarHBondContact O-N 3.46Å; I302-Y305 PolarHBondContact O-N 3.46Å; I302-Q306 HydrophobicContact CG2-CG 4.43Å; I302-Q306 WeakPolarHBondContact O-CB 3.34Å; I302-Q306 VanDerWaalsContact O-CG 3.32Å; I302-Q306 WeakPolarHBondContact O-CG 3.36Å; I302-Q306 PolarHBondContact O-N 3.08Å
303	L	97.3	Very high	95.1	Very high	112 Å²	112	49.8 Å²	49.8	59%	0.586	26%	0.255	S	S	*	.	H	α-helix	trans	-59.6	-39.6	175	-71.8	171.2	0	0	0	111.8	Q299 I301 Q306 E307	Q299-L303 WeakPolarHBondContact O-CB 3.34Å; Q299-L303 VanDerWaalsContact O-CG 3.28Å; Q299-L303 WeakPolarHBondContact O-CG 3.46Å; Q299-L303 PolarHBondContact O-N 2.97Å; I301-L303 VanDerWaalsContact C-N 3.31Å; I301-L303 PolarHBondContact O-N 3.02Å; L303-Q306 PolarHBondContact O-N 3.2Å; L303-E307 WeakPolarHBondContact O-CB 3.49Å; L303-E307 PolarHBondContact O-N 2.84Å
304	T	96.3	Very high	95.4	Very high	38 Å²	38	51.6 Å²	51.6	23%	0.233	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-43.5	176.7	-56.5	0	0	0	0	111.7	T300 I301 I302 E307 N308 Y672	T300-T304 PolarHBondContact O-N 2.67Å; T300-T304 VanDerWaalsContact O-N 3.15Å; T300-T304 PolarHBondContact O-OG1 3.21Å; I301-T304 CarbonylContact O-C 3.11Å; I301-T304 WeakPolarHBondContact O-CA 3.25Å; I301-T304 VanDerWaalsContact O-CB 3.32Å; I301-T304 WeakPolarHBondContact O-CB 3.3Å; I301-T304 PolarHBondContact O-N 2.84Å; I302-T304 VanDerWaalsContact C-N 3.27Å; I302-T304 PolarHBondContact O-N 3.46Å; T304-E307 PolarHBondContact O-N 3.4Å; T304-N308 PolarHBondContact O-N 3.23Å; T304-N308 PolarHBondContact O-ND2 3.49Å; T304-Y672 HydrophobicContact CG2-CE2 3.86Å
305	Y	97.8	Very high	95.5	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-38.2	174.8	-73.9	-50.2	0	0	0	112.4	V263 L266 L267 D270 I301 I302 N308 L309 F333 Y672 D675 R765	V263-Y305 HydrophobicContact CG1-CD1 4.04Å; V263-Y305 HydrophobicContact CG1-CG 4.33Å; V263-Y305 WeakPolarHBondContact CG1-O 3.45Å; L266-Y305 HydrophobicContact CB-CD2 4.45Å; L266-Y305 HydrophobicContact CB-CE2 4.22Å; L266-Y305 HydrophobicContact CD1-CD1 4.31Å; L266-Y305 HydrophobicContact CD1-CE1 3.62Å; L266-Y305 HydrophobicContact CD1-CE2 4.47Å; L267-Y305 VanDerWaalsContact CD2-CB 3.4Å; L267-Y305 HydrophobicContact CD2-CD2 4.49Å; L267-Y305 HydrophobicContact CD2-CG 4.41Å; D270-Y305 WeakPolarHBondContact OD2-CE2 3.46Å; I301-Y305 HydrophobicContact CG2-CD2 3.51Å; I301-Y305 HydrophobicContact CG2-CE2 3.13Å; I301-Y305 WeakPolarHBondContact O-CD2 3.5Å; I301-Y305 PolarHBondContact O-N 2.83Å; I302-Y305 PolarHBondContact O-N 3.46Å; Y305-N308 PolarHBondContact O-N 3.19Å; Y305-L309 WeakPolarHBondContact O-CB 3.46Å; Y305-L309 PolarHBondContact O-N 3.26Å; Y305-F333 HydrophobicContact CD1-CE2 4.41Å; Y305-F333 AromaticContact CD1-CZ 3.96Å; Y305-F333 HydrophobicContact CD1-CZ 3.96Å; Y305-F333 HydrophobicContact CE1-CE1 4.22Å; Y305-F333 HydrophobicContact CE1-CE2 4.43Å; Y305-F333 AromaticContact CE1-CZ 3.59Å; Y305-F333 HydrophobicContact CE1-CZ 3.59Å; Y305-Y672 HydrophobicContact CD1-CD2 4.25Å; Y305-Y672 AromaticContact CD1-CE2 3.98Å; Y305-Y672 HydrophobicContact CD1-CE2 3.98Å; Y305-Y672 AromaticContact CE1-CD2 3.49Å; Y305-Y672 HydrophobicContact CE1-CD2 3.49Å; Y305-Y672 VanDerWaalsContact CE1-CD2 3.49Å; Y305-Y672 AromaticContact CE1-CE2 3.59Å; Y305-Y672 HydrophobicContact CE1-CE2 3.59Å; Y305-Y672 AromaticContact CZ-CD2 3.61Å; Y305-Y672 WeakPolarHBondContact OH-CD2 3.36Å; Y305-D675 PolarHBondContact OH-OD2 2.93Å; Y305-R765 PolarHBondContact OH-NH2 3.16Å
306	Q	97.6	Very high	95.3	Very high	92 Å²	92	63.1 Å²	63.1	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-42.6	175.6	-74.4	174.8	-11.9	0	0	111.9	L267 I302 L303 L309 T310	L267-Q306 HydrophobicContact CD1-CG 4.13Å; L267-Q306 HydrophobicContact CD2-CG 3.69Å; I302-Q306 HydrophobicContact CG2-CG 4.43Å; I302-Q306 WeakPolarHBondContact O-CB 3.34Å; I302-Q306 VanDerWaalsContact O-CG 3.32Å; I302-Q306 WeakPolarHBondContact O-CG 3.36Å; I302-Q306 PolarHBondContact O-N 3.08Å; L303-Q306 PolarHBondContact O-N 3.2Å; Q306-L309 PolarHBondContact O-N 2.95Å; Q306-T310 WeakPolarHBondContact O-CB 3.25Å; Q306-T310 PolarHBondContact O-N 2.87Å; Q306-T310 PolarHBondContact O-OG1 3.37Å
307	E	96.9	Very high	95	Very high	96 Å²	96	61.7 Å²	61.7	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-59.5	-52.2	174.1	-173.6	-175.5	-153.6	0	0	110.4	L303 T304 L309 T310 D311 K329	L303-E307 WeakPolarHBondContact O-CB 3.49Å; L303-E307 PolarHBondContact O-N 2.84Å; T304-E307 PolarHBondContact O-N 3.4Å; E307-L309 PolarHBondContact O-N 2.96Å; E307-T310 WeakPolarHBondContact O-CB 3.45Å; E307-T310 PolarHBondContact O-N 2.81Å; E307-T310 VanDerWaalsContact O-N 3.13Å; E307-D311 PolarHBondContact O-N 3.22Å; E307-K329 IonicContact OE2-NZ 3.73Å; E307-K329 PolarHBondContact OE2-NZ 3.3Å
308	N	96.1	Very high	94.8	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.011	32%	0.317	C	S	.	.	H	α-helix	trans	-58.5	-43.5	178.4	-79.4	-60.8	0	0	0	112.7	T304 Y305 T310 D311 L312 K329 F333 Y672	T304-N308 PolarHBondContact O-N 3.23Å; T304-N308 PolarHBondContact O-ND2 3.49Å; Y305-N308 PolarHBondContact O-N 3.19Å; N308-T310 VanDerWaalsContact C-N 3.3Å; N308-T310 PolarHBondContact O-N 2.85Å; N308-D311 PolarHBondContact O-N 2.96Å; N308-L312 WeakPolarHBondContact O-CB 3.33Å; N308-L312 VanDerWaalsContact O-CG 3.27Å; N308-L312 WeakPolarHBondContact O-CG 3.49Å; N308-L312 PolarHBondContact O-N 3.05Å; N308-K329 PolarHBondContact OD1-O 3.08Å; N308-F333 HydrophobicContact CB-CD2 4.35Å; N308-F333 HydrophobicContact CB-CE2 4.3Å; N308-Y672 PolarHBondContact ND2-OH 3.14Å
309	L	96.8	Very high	94.4	Very high	29 Å²	29	62.5 Å²	62.5	15%	0.152	33%	0.325	C	S	.	.	H	α-helix	trans	-63.2	-40	177.9	-177.6	58.7	0	0	0	111.3	R260 V263 K264 L267 Y305 Q306 E307 L312 H313	R260-L309 HydrophobicContact CB-CD1 4.26Å; R260-L309 HydrophobicContact CG-CD1 4.43Å; R260-L309 WeakPolarHBondContact O-CD1 3.44Å; V263-L309 HydrophobicContact CG1-CB 4.02Å; K264-L309 HydrophobicContact CB-CD2 4.49Å; L267-L309 HydrophobicContact CD1-CD2 3.87Å; Y305-L309 WeakPolarHBondContact O-CB 3.46Å; Y305-L309 PolarHBondContact O-N 3.26Å; Q306-L309 PolarHBondContact O-N 2.95Å; E307-L309 PolarHBondContact O-N 2.96Å; L309-L312 PolarHBondContact O-N 3.19Å; L309-H313 PolarHBondContact O-CD2 2.81Å; L309-H313 PolarHBondContact O-N 3.49Å
310	T	97.1	Very high	94.2	Very high	71 Å²	71	58.7 Å²	58.7	44%	0.436	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-47.3	176.2	-58.3	0	0	0	0	111.1	Q306 E307 N308 L312 H313 Q314	Q306-T310 WeakPolarHBondContact O-CB 3.25Å; Q306-T310 PolarHBondContact O-N 2.87Å; Q306-T310 PolarHBondContact O-OG1 3.37Å; E307-T310 WeakPolarHBondContact O-CB 3.45Å; E307-T310 PolarHBondContact O-N 2.81Å; E307-T310 VanDerWaalsContact O-N 3.13Å; N308-T310 VanDerWaalsContact C-N 3.3Å; N308-T310 PolarHBondContact O-N 2.85Å; T310-L312 VanDerWaalsContact C-N 3.33Å; T310-L312 PolarHBondContact O-N 2.88Å; T310-H313 PolarHBondContact O-N 3.1Å; T310-Q314 VanDerWaalsContact CG2-NE2 3.35Å; T310-Q314 WeakPolarHBondContact O-CG 3.44Å; T310-Q314 PolarHBondContact O-N 3.46Å
311	D	95.7	Very high	94.1	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.134	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-43.8	175.6	-84.3	-37.8	0	0	0	111.8	E307 N308 H313 Q314 Y315 K330	E307-D311 PolarHBondContact O-N 3.22Å; N308-D311 PolarHBondContact O-N 2.96Å; D311-H313 VanDerWaalsContact C-N 3.32Å; D311-H313 PolarHBondContact O-N 3.16Å; D311-Q314 PolarHBondContact O-N 3.46Å; D311-Y315 PolarHBondContact O-N 3.05Å; D311-K330 HydrophobicContact CB-CB 4.05Å; D311-K330 HydrophobicContact CB-CG 4.31Å; D311-K330 IonicContact OD1-NZ 3.86Å; D311-K330 PolarHBondContact OD1-NZ 3.37Å
312	L	95.2	Very high	94	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-35.3	176.8	-72.7	172.7	0	0	0	112.8	P259 R260 N308 L309 T310 L331 V334	P259-L312 HydrophobicContact CB-CD1 3.79Å; P259-L312 HydrophobicContact CB-CD2 4.47Å; R260-L312 HydrophobicContact CG-CB 3.94Å; R260-L312 HydrophobicContact CG-CD1 4.42Å; R260-L312 PolarHBondContact NE-O 2.94Å; R260-L312 VanDerWaalsContact NE-O 3.1Å; R260-L312 PolarHBondContact NH2-O 3.3Å; N308-L312 WeakPolarHBondContact O-CB 3.33Å; N308-L312 VanDerWaalsContact O-CG 3.27Å; N308-L312 WeakPolarHBondContact O-CG 3.49Å; N308-L312 PolarHBondContact O-N 3.05Å; L309-L312 PolarHBondContact O-N 3.19Å; T310-L312 VanDerWaalsContact C-N 3.33Å; T310-L312 PolarHBondContact O-N 2.88Å; L312-L331 HydrophobicContact CD2-CD2 4.46Å; L312-V334 HydrophobicContact CD2-CG2 3.53Å
313	H	94.4	Very high	93.7	Very high	118 Å²	118	54 Å²	54	55%	0.546	28%	0.281	S	S	.	.	H	α-helix	trans	-74.3	-32.2	175.7	-83	-66.1	0	0	0	112.9	L309 T310 D311 Y315	L309-H313 PolarHBondContact O-CD2 2.81Å; L309-H313 PolarHBondContact O-N 3.49Å; T310-H313 PolarHBondContact O-N 3.1Å; D311-H313 VanDerWaalsContact C-N 3.32Å; D311-H313 PolarHBondContact O-N 3.16Å; H313-Y315 VanDerWaalsContact C-N 3.35Å
314	Q	94.1	Very high	93.4	Very high	130 Å²	130	51.9 Å²	51.9	61%	0.607	28%	0.276	S	S	*	.	H	α-helix	trans	-79.7	-16.6	178.5	-68.7	179.9	14	0	0	113.5	T310 D311 K316	T310-Q314 VanDerWaalsContact CG2-NE2 3.35Å; T310-Q314 WeakPolarHBondContact O-CG 3.44Å; T310-Q314 PolarHBondContact O-N 3.46Å; D311-Q314 PolarHBondContact O-N 3.46Å; Q314-K316 PolarHBondContact O-N 2.82Å
315	Y	92.9	Very high	93.2	Very high	49 Å²	49	53 Å²	53	19%	0.192	28%	0.28	C	S	.	.			trans	-64.8	121.8	-180	-174.4	-100.9	0	0	0	112.7	L256 D311 H313 G317 P318 L331	L256-Y315 HydrophobicContact CD1-CD1 3.75Å; L256-Y315 HydrophobicContact CD1-CE1 3.98Å; L256-Y315 HydrophobicContact CD2-CD1 3.8Å; L256-Y315 HydrophobicContact CD2-CE1 4.13Å; L256-Y315 HydrophobicContact CG-CD1 4.44Å; D311-Y315 PolarHBondContact O-N 3.05Å; H313-Y315 VanDerWaalsContact C-N 3.35Å; Y315-G317 VanDerWaalsContact CE1-CA 3.47Å; Y315-G317 VanDerWaalsContact CZ-CA 3.44Å; Y315-P318 WeakPolarHBondContact CE1-O 3.33Å; Y315-P318 WeakPolarHBondContact OH-CD 3.43Å; Y315-L331 HydrophobicContact CD2-CD1 4.47Å; Y315-L331 HydrophobicContact CD2-CD2 3.85Å; Y315-L331 HydrophobicContact CE2-CD1 3.88Å; Y315-L331 HydrophobicContact CE2-CD2 4.02Å; Y315-L331 HydrophobicContact CE2-CG 4.47Å; Y315-L331 HydrophobicContact CG-CD2 4.12Å
316	K	88.9	Confident	92.9	Very high	206 Å²	206	55.1 Å²	55.1	90%	0.896	29%	0.289	S	S	*	.			trans	-115.2	15.9	178.7	-63	-176.1	-179.5	-179.3	0	113.6	Q314	Q314-K316 PolarHBondContact O-N 2.82Å
317	G	86.8	Confident	92.6	Very high	38 Å²	38	53.9 Å²	53.9	39%	0.392	30%	0.295	S	S	.	.	S	Bend	trans	-82.1	-168.5	-179	0	0	0	0	0	113.7	Y315	Y315-G317 VanDerWaalsContact CE1-CA 3.47Å; Y315-G317 VanDerWaalsContact CZ-CA 3.44Å
318	P	87.5	Confident	92.4	Very high	67 Å²	67	52 Å²	52	44%	0.435	29%	0.288	S	S	.	.			trans	-61	163.6	177.9	26.9	-36.9	0	0	0	112.9	Y315 F320	Y315-P318 WeakPolarHBondContact CE1-O 3.33Å; Y315-P318 WeakPolarHBondContact OH-CD 3.43Å; P318-F320 HydrophobicContact CB-CD1 3.88Å; P318-F320 HydrophobicContact CB-CE1 3.81Å; P318-F320 HydrophobicContact CG-CD1 4.31Å; P318-F320 HydrophobicContact CG-CE1 4.07Å; P318-F320 PolarHBondContact O-N 3.24Å
319	S	87.6	Confident	92.3	Very high	36 Å²	36	56.6 Å²	56.6	25%	0.252	31%	0.308	S	S	.	.	S	Bend	trans	-76.8	21	-178.5	-64.3	0	0	0	0	113.6	S255	S255-S319 VanDerWaalsContact CB-O 3.27Å; S255-S319 WeakPolarHBondContact CB-O 3.26Å; S255-S319 PolarHBondContact OG-O 3.12Å
320	F	91.4	Very high	92.2	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.035	32%	0.322	C	S	.	.	S	Bend	trans	-148.8	155.1	176.2	79.7	-79	0	0	0	111.1	E251 P318 A322 H339 K944	E251-F320 VanDerWaalsContact CD-CD1 3.45Å; E251-F320 HydrophobicContact CG-CD1 3.82Å; E251-F320 HydrophobicContact CG-CE1 4.48Å; E251-F320 HydrophobicContact CG-CG 4.48Å; P318-F320 HydrophobicContact CB-CD1 3.88Å; P318-F320 HydrophobicContact CB-CE1 3.81Å; P318-F320 HydrophobicContact CG-CD1 4.31Å; P318-F320 HydrophobicContact CG-CE1 4.07Å; P318-F320 PolarHBondContact O-N 3.24Å; F320-A322 HydrophobicContact CE2-CB 4.09Å; F320-H339 AromaticContact CD2-CE1 3.71Å; F320-H339 AromaticContact CG-CE1 3.97Å; F320-K944 HydrophobicContact CE1-CD 4.33Å; F320-K944 HydrophobicContact CZ-CB 3.93Å; F320-K944 HydrophobicContact CZ-CD 4.45Å
321	K	94.5	Very high	92.1	Very high	2 Å²	2	57 Å²	57	1%	0.009	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-89.4	111.6	174.6	178.1	-176.5	-171.5	-177.1	0	110.7	L325 K326 L331 V334 N337	K321-L325 WeakPolarHBondContact CE-O 2.9Å; K321-L325 HydrophobicContact CG-CB 4.28Å; K321-K326 PolarHBondContact NZ-O 2.74Å; K321-K326 VanDerWaalsContact NZ-O 3.1Å; K321-L331 HydrophobicContact CD-CB 3.96Å; K321-L331 WeakPolarHBondContact CD-O 3.45Å; K321-L331 WeakPolarHBondContact CE-O 3.38Å; K321-L331 HydrophobicContact CG-CB 4.3Å; K321-L331 HydrophobicContact CG-CD1 4.25Å; K321-L331 PolarHBondContact NZ-O 3.31Å; K321-V334 HydrophobicContact CB-CB 4.25Å; K321-V334 HydrophobicContact CB-CG1 3.57Å; K321-V334 HydrophobicContact CD-CB 4.17Å; K321-V334 HydrophobicContact CD-CG1 4.38Å; K321-V334 VanDerWaalsContact CD-O 3.24Å; K321-V334 WeakPolarHBondContact CD-O 3.31Å; K321-N337 WeakPolarHBondContact O-CA 3.22Å; K321-N337 PolarHBondContact O-N 3.24Å
322	A	93.1	Very high	92.1	Very high	11 Å²	11	56.2 Å²	56.2	9%	0.091	30%	0.298	C	S	.	.			trans	-60.7	150.5	175.3	0	0	0	0	0	112.3	F320 S324 L325 N945	F320-A322 HydrophobicContact CE2-CB 4.09Å; A322-S324 PolarHBondContact O-N 3.04Å; A322-L325 HydrophobicContact CB-CD1 4.43Å; A322-L325 HydrophobicContact CB-CG 4.45Å; A322-L325 WeakPolarHBondContact O-CA 3.49Å; A322-L325 WeakPolarHBondContact O-CB 3.35Å; A322-L325 PolarHBondContact O-N 2.87Å; A322-N945 WeakPolarHBondContact CA-OD1 3.48Å
323	S	90.3	Very high	92.2	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.014	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-62.6	-27.6	-177.5	63.1	0	0	0	0	114	L325 K326 N945	S323-L325 VanDerWaalsContact C-N 3.25Å; S323-K326 WeakPolarHBondContact O-CB 3.4Å; S323-K326 WeakPolarHBondContact O-CD 3.02Å; S323-K326 VanDerWaalsContact O-CG 3.32Å; S323-K326 WeakPolarHBondContact O-CG 3.34Å; S323-K326 PolarHBondContact O-N 3.15Å; S323-N945 WeakPolarHBondContact CB-OD1 3.41Å; S323-N945 PolarHBondContact N-OD1 2.8Å; S323-N945 PolarHBondContact OG-OD1 3.19Å
324	S	89.9	Confident	92.4	Very high	67 Å²	67	50.7 Å²	50.7	47%	0.469	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68.2	-26.6	173.8	47.3	0	0	0	0	111.9	A322 N945	A322-S324 PolarHBondContact O-N 3.04Å; S324-N945 PolarHBondContact OG-O 3.46Å
325	L	92.4	Very high	92.5	Very high	61 Å²	61	44.5 Å²	44.5	32%	0.319	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-92.5	8.9	178.6	-56.6	177.5	0	0	0	112.9	K321 A322 S323 A327 D328 L331	K321-L325 WeakPolarHBondContact CE-O 2.9Å; K321-L325 HydrophobicContact CG-CB 4.28Å; A322-L325 HydrophobicContact CB-CD1 4.43Å; A322-L325 HydrophobicContact CB-CG 4.45Å; A322-L325 WeakPolarHBondContact O-CA 3.49Å; A322-L325 WeakPolarHBondContact O-CB 3.35Å; A322-L325 PolarHBondContact O-N 2.87Å; S323-L325 VanDerWaalsContact C-N 3.25Å; L325-A327 PolarHBondContact O-N 2.95Å; L325-A327 VanDerWaalsContact O-N 3.09Å; L325-D328 HydrophobicContact CB-CB 4.25Å; L325-D328 VanDerWaalsContact O-CB 3.25Å; L325-D328 WeakPolarHBondContact O-CB 3.4Å; L325-D328 PolarHBondContact O-N 2.84Å; L325-L331 HydrophobicContact CD1-CD1 4.14Å
326	K	91.8	Very high	92.7	Very high	47 Å²	47	42.2 Å²	42.2	20%	0.204	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-34.1	-177.1	68.7	-171.1	174.5	-128	0	113.6	K321 S323 T336 H366	K321-K326 PolarHBondContact NZ-O 2.74Å; K321-K326 VanDerWaalsContact NZ-O 3.1Å; S323-K326 WeakPolarHBondContact O-CB 3.4Å; S323-K326 WeakPolarHBondContact O-CD 3.02Å; S323-K326 VanDerWaalsContact O-CG 3.32Å; S323-K326 WeakPolarHBondContact O-CG 3.34Å; S323-K326 PolarHBondContact O-N 3.15Å; K326-T336 HydrophobicContact CB-CG2 4.23Å; K326-H366 WeakPolarHBondContact O-CB 3.36Å
327	A	90.6	Very high	93.1	Very high	66 Å²	66	32.4 Å²	32.4	55%	0.545	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	4.9	-179.9	0	0	0	0	0	114	L325 K329 C367	L325-A327 PolarHBondContact O-N 2.95Å; L325-A327 VanDerWaalsContact O-N 3.09Å; A327-K329 PolarHBondContact O-N 3.33Å; A327-C367 PolarHBondContact O-SG 2.98Å
328	D	94.3	Very high	93.6	Very high	56 Å²	56	30.6 Å²	30.6	30%	0.299	17%	0.173	S	C	.	.			trans	-71	120.4	175.3	-170.9	-16.1	0	0	0	110.3	L325 K330 L331 E332	L325-D328 HydrophobicContact CB-CB 4.25Å; L325-D328 VanDerWaalsContact O-CB 3.25Å; L325-D328 WeakPolarHBondContact O-CB 3.4Å; L325-D328 PolarHBondContact O-N 2.84Å; D328-K330 VanDerWaalsContact C-N 3.27Å; D328-K330 PolarHBondContact O-N 2.86Å; D328-K330 WeakPolarHBondContact OD1-CB 3.12Å; D328-K330 PolarHBondContact OD1-N 3.11Å; D328-L331 PolarHBondContact O-N 3.13Å; D328-E332 PolarHBondContact O-N 2.94Å
329	K	93.6	Very high	94.1	Very high	98 Å²	98	27.4 Å²	27.4	43%	0.426	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-59.9	-37.1	-179.4	-170.2	-173.5	175.8	-152.9	0	111.4	E307 N308 A327 L331 E332	E307-K329 IonicContact OE2-NZ 3.73Å; E307-K329 PolarHBondContact OE2-NZ 3.3Å; N308-K329 PolarHBondContact OD1-O 3.08Å; A327-K329 PolarHBondContact O-N 3.33Å; K329-L331 PolarHBondContact O-N 2.92Å; K329-L331 VanDerWaalsContact O-N 3.13Å; K329-E332 WeakPolarHBondContact O-CB 3.48Å; K329-E332 PolarHBondContact O-N 2.8Å; K329-E332 VanDerWaalsContact O-N 3.13Å
330	K	94.3	Very high	94.5	Very high	107 Å²	107	25.8 Å²	25.8	47%	0.465	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-63.9	-23.7	-177	-59.4	-164	170.9	-153.5	0	113.6	D311 D328	D311-K330 HydrophobicContact CB-CB 4.05Å; D311-K330 HydrophobicContact CB-CG 4.31Å; D311-K330 IonicContact OD1-NZ 3.86Å; D311-K330 PolarHBondContact OD1-NZ 3.37Å; D328-K330 VanDerWaalsContact C-N 3.27Å; D328-K330 PolarHBondContact O-N 2.86Å; D328-K330 WeakPolarHBondContact OD1-CB 3.12Å; D328-K330 PolarHBondContact OD1-N 3.11Å
331	L	95.3	Very high	94.7	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.016	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-116.3	23.7	-177.7	-59.5	177.4	0	0	0	110.9	L312 Y315 K321 L325 D328 K329 F333 V334	L312-L331 HydrophobicContact CD2-CD2 4.46Å; Y315-L331 HydrophobicContact CD2-CD1 4.47Å; Y315-L331 HydrophobicContact CD2-CD2 3.85Å; Y315-L331 HydrophobicContact CE2-CD1 3.88Å; Y315-L331 HydrophobicContact CE2-CD2 4.02Å; Y315-L331 HydrophobicContact CE2-CG 4.47Å; Y315-L331 HydrophobicContact CG-CD2 4.12Å; K321-L331 HydrophobicContact CD-CB 3.96Å; K321-L331 WeakPolarHBondContact CD-O 3.45Å; K321-L331 WeakPolarHBondContact CE-O 3.38Å; K321-L331 HydrophobicContact CG-CB 4.3Å; K321-L331 HydrophobicContact CG-CD1 4.25Å; K321-L331 PolarHBondContact NZ-O 3.31Å; L325-L331 HydrophobicContact CD1-CD1 4.14Å; D328-L331 PolarHBondContact O-N 3.13Å; K329-L331 PolarHBondContact O-N 2.92Å; K329-L331 VanDerWaalsContact O-N 3.13Å; L331-F333 VanDerWaalsContact C-N 3.32Å; L331-F333 PolarHBondContact O-N 2.83Å; L331-V334 HydrophobicContact CB-CB 4.26Å; L331-V334 HydrophobicContact CB-CG2 4.27Å; L331-V334 HydrophobicContact CD2-CG2 4.01Å; L331-V334 PolarHBondContact O-N 3.17Å
332	E	95.5	Very high	94.8	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.037	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-42.3	-175	-174.7	174.1	-159.1	0	0	111.8	D328 K329 V334 C367 Y672 V676 Q680	D328-E332 PolarHBondContact O-N 2.94Å; K329-E332 WeakPolarHBondContact O-CB 3.48Å; K329-E332 PolarHBondContact O-N 2.8Å; K329-E332 VanDerWaalsContact O-N 3.13Å; E332-V334 VanDerWaalsContact C-N 3.32Å; E332-V334 PolarHBondContact O-N 2.83Å; E332-C367 HydrophobicContact CG-CB 4.35Å; E332-Y672 WeakPolarHBondContact OE2-CE1 3.44Å; E332-Y672 PolarHBondContact OE2-OH 3.09Å; E332-V676 HydrophobicContact CG-CB 4.46Å; E332-V676 HydrophobicContact CG-CG1 3.72Å; E332-V676 HydrophobicContact CG-CG2 3.83Å; E332-V676 WeakPolarHBondContact O-CG1 3.39Å; E332-Q680 PolarHBondContact O-NE2 3.2Å
333	F	97.4	Very high	94.9	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.8	177.7	-72.2	-92.3	0	0	0	114.4	P259 F262 V263 L266 Y305 N308 L331 Y672 D675 V676 C679 Q680	P259-F333 HydrophobicContact CB-CB 3.91Å; P259-F333 HydrophobicContact CG-CB 4.46Å; F262-F333 HydrophobicContact CD1-CD1 4.42Å; V263-F333 HydrophobicContact CG2-CB 4.48Å; V263-F333 HydrophobicContact CG2-CD1 3.77Å; V263-F333 HydrophobicContact CG2-CD2 3.98Å; V263-F333 HydrophobicContact CG2-CE1 4.03Å; V263-F333 HydrophobicContact CG2-CE2 4.24Å; V263-F333 HydrophobicContact CG2-CG 3.78Å; V263-F333 HydrophobicContact CG2-CZ 4.29Å; L266-F333 HydrophobicContact CD1-CE1 4.44Å; Y305-F333 HydrophobicContact CD1-CE2 4.41Å; Y305-F333 AromaticContact CD1-CZ 3.96Å; Y305-F333 HydrophobicContact CD1-CZ 3.96Å; Y305-F333 HydrophobicContact CE1-CE1 4.22Å; Y305-F333 HydrophobicContact CE1-CE2 4.43Å; Y305-F333 AromaticContact CE1-CZ 3.59Å; Y305-F333 HydrophobicContact CE1-CZ 3.59Å; N308-F333 HydrophobicContact CB-CD2 4.35Å; N308-F333 HydrophobicContact CB-CE2 4.3Å; L331-F333 VanDerWaalsContact C-N 3.32Å; L331-F333 PolarHBondContact O-N 2.83Å; F333-Y672 HydrophobicContact CE2-CE2 4.04Å; F333-Y672 HydrophobicContact CZ-CD2 4.47Å; F333-Y672 AromaticContact CZ-CE2 3.82Å; F333-Y672 HydrophobicContact CZ-CE2 3.82Å; F333-D675 HydrophobicContact CE1-CB 4.42Å; F333-V676 HydrophobicContact CD1-CG2 4.24Å; F333-V676 HydrophobicContact CD2-CG2 4.38Å; F333-V676 HydrophobicContact CE1-CB 4.35Å; F333-V676 HydrophobicContact CE1-CG2 3.71Å; F333-V676 HydrophobicContact CE2-CG2 3.86Å; F333-V676 HydrophobicContact CZ-CG2 3.44Å; F333-V676 VanDerWaalsContact CZ-CG2 3.44Å; F333-C679 HydrophobicContact CD1-CB 3.82Å; F333-Q680 WeakPolarHBondContact O-CG 3.19Å
334	V	97.8	Very high	95	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.137	C	C	.	.	S	Bend	trans	-79.8	129.4	-176.2	178.8	0	0	0	0	109.7	S255 L256 P259 L312 K321 L331 E332 T336	S255-V334 WeakPolarHBondContact O-CG1 3.34Å; L256-V334 HydrophobicContact CD2-CG2 3.98Å; P259-V334 HydrophobicContact CG-CG2 4.33Å; L312-V334 HydrophobicContact CD2-CG2 3.53Å; K321-V334 HydrophobicContact CB-CB 4.25Å; K321-V334 HydrophobicContact CB-CG1 3.57Å; K321-V334 HydrophobicContact CD-CB 4.17Å; K321-V334 HydrophobicContact CD-CG1 4.38Å; K321-V334 VanDerWaalsContact CD-O 3.24Å; K321-V334 WeakPolarHBondContact CD-O 3.31Å; L331-V334 HydrophobicContact CB-CB 4.26Å; L331-V334 HydrophobicContact CB-CG2 4.27Å; L331-V334 HydrophobicContact CD2-CG2 4.01Å; L331-V334 PolarHBondContact O-N 3.17Å; E332-V334 VanDerWaalsContact C-N 3.32Å; E332-V334 PolarHBondContact O-N 2.83Å; V334-T336 PolarHBondContact O-N 2.8Å
335	P	97.6	Very high	95.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	P	Polyproline II helix	trans	-63.5	133	177.6	26.8	-35.7	0	0	0	111.2	N337 L338 I360 Q680 T683	P335-N337 PolarHBondContact O-N 3.14Å; P335-L338 HydrophobicContact CB-CB 4.14Å; P335-L338 HydrophobicContact CB-CD2 4.24Å; P335-L338 HydrophobicContact CG-CB 3.98Å; P335-L338 HydrophobicContact CG-CD2 3.58Å; P335-L338 HydrophobicContact CG-CG 4.42Å; P335-I360 HydrophobicContact CB-CD1 3.5Å; P335-I360 HydrophobicContact CB-CG1 3.99Å; P335-Q680 HydrophobicContact CB-CB 4.14Å; P335-Q680 HydrophobicContact CB-CG 4.45Å; P335-T683 HydrophobicContact CG-CG2 3.78Å
336	T	96.9	Very high	94.8	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.006	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-71.1	124.8	-179.9	-58.8	0	0	0	0	110.3	K326 V334 L338 G361	K326-T336 HydrophobicContact CB-CG2 4.23Å; V334-T336 PolarHBondContact O-N 2.8Å; T336-L338 VanDerWaalsContact C-N 3.31Å; T336-L338 PolarHBondContact O-N 2.91Å; T336-G361 WeakPolarHBondContact O-CA 3.4Å; T336-G361 PolarHBondContact O-N 3.16Å
337	N	96.2	Very high	94.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	36.1	169.1	-154.4	17.8	0	0	0	115	K321 P335 H339 S897 A898 N941 N945	K321-N337 WeakPolarHBondContact O-CA 3.22Å; K321-N337 PolarHBondContact O-N 3.24Å; P335-N337 PolarHBondContact O-N 3.14Å; N337-H339 PolarHBondContact O-N 2.99Å; N337-H339 PolarHBondContact O-ND1 3.27Å; N337-H339 PolarHBondContact OD1-CE1 3.23Å; N337-H339 PolarHBondContact OD1-ND1 3.01Å; N337-S897 VanDerWaalsContact CB-O 3.23Å; N337-S897 WeakPolarHBondContact CB-O 3.22Å; N337-S897 PolarHBondContact ND2-O 3.11Å; N337-A898 HydrophobicContact CB-CB 4.32Å; N337-A898 VanDerWaalsContact ND2-C 3.28Å; N337-A898 PolarHBondContact ND2-O 3.36Å; N337-N941 PolarHBondContact ND2-ND2 3.28Å; N337-N941 PolarHBondContact OD1-OD1 3.35Å; N337-N941 VanDerWaalsContact OD1-OD1 3.1Å; N337-N945 PolarHBondContact ND2-ND2 3.08Å; N337-N945 PolarHBondContact OD1-ND2 2.91Å
338	L	97.6	Very high	92.9	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	10%	0.103	C	C	.	.			trans	-70	121.3	-179.6	180	61.7	0	0	0	112.2	P335 T336 V358 T359 I360 T683 A684	P335-L338 HydrophobicContact CB-CB 4.14Å; P335-L338 HydrophobicContact CB-CD2 4.24Å; P335-L338 HydrophobicContact CG-CB 3.98Å; P335-L338 HydrophobicContact CG-CD2 3.58Å; P335-L338 HydrophobicContact CG-CG 4.42Å; T336-L338 VanDerWaalsContact C-N 3.31Å; T336-L338 PolarHBondContact O-N 2.91Å; L338-V358 HydrophobicContact CD1-CG1 3.61Å; L338-T359 VanDerWaalsContact CA-O 3.29Å; L338-T359 WeakPolarHBondContact CA-O 3.3Å; L338-I360 HydrophobicContact CD1-CB 3.97Å; L338-I360 HydrophobicContact CD1-CD1 4.44Å; L338-I360 HydrophobicContact CD1-CG1 4.19Å; L338-T683 HydrophobicContact CD2-CG2 3.74Å; L338-A684 HydrophobicContact CD1-CB 4Å
339	H	97.1	Very high	91.3	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.6	177.9	-64.2	84.4	0	0	0	111.5	M249 A250 F320 N337 T359	M249-H339 HydrophobicContact CG-CB 4.01Å; M249-H339 HydrophobicContact SD-CB 4.49Å; A250-H339 VanDerWaalsContact O-CA 3.29Å; A250-H339 WeakPolarHBondContact O-CA 3.45Å; A250-H339 WeakPolarHBondContact O-CB 3.3Å; F320-H339 AromaticContact CD2-CE1 3.71Å; F320-H339 AromaticContact CG-CE1 3.97Å; N337-H339 PolarHBondContact O-N 2.99Å; N337-H339 PolarHBondContact O-ND1 3.27Å; N337-H339 PolarHBondContact OD1-CE1 3.23Å; N337-H339 PolarHBondContact OD1-ND1 3.01Å; H339-T359 PolarHBondContact N-O 2.98Å; H339-T359 PolarHBondContact O-N 3.22Å
340	I	96.6	Very high	89.7	Confident	1 Å²	1	20 Å²	20	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	127.1	161.2	-61.3	-58	0	0	0	108.3	F225 M249 A250 V358 C687 I691	F225-I340 HydrophobicContact CD1-CG1 3.68Å; F225-I340 HydrophobicContact CE1-CB 4.41Å; F225-I340 HydrophobicContact CE1-CD1 3.9Å; F225-I340 HydrophobicContact CE1-CG1 3.16Å; F225-I340 HydrophobicContact CE2-CG1 4.41Å; F225-I340 HydrophobicContact CG-CG1 4.5Å; F225-I340 HydrophobicContact CZ-CD1 4.05Å; F225-I340 HydrophobicContact CZ-CG1 3.58Å; M249-I340 CarbonylContact C-O 3.28Å; M249-I340 VanDerWaalsContact CA-O 3.29Å; M249-I340 WeakPolarHBondContact CA-O 3.4Å; A250-I340 PolarHBondContact N-O 3.48Å; A250-I340 PolarHBondContact O-N 3.35Å; I340-V358 HydrophobicContact CD1-CB 4.26Å; I340-V358 HydrophobicContact CD1-CG1 4.2Å; I340-V358 HydrophobicContact CD1-CG2 3.65Å; I340-C687 HydrophobicContact CD1-CB 4.18Å; I340-I691 HydrophobicContact CD1-CG2 4.36Å
341	Q	96.8	Very high	88.1	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.4	166.8	-174.4	82.6	37.8	0	0	109	E247 Q248 D356 I357 T359 V906	E247-Q341 VanDerWaalsContact CD-NE2 3.31Å; E247-Q341 PolarHBondContact OE1-NE2 3.31Å; Q248-Q341 CarbonylContact O-C 3.58Å; Q248-Q341 WeakPolarHBondContact O-CA 3.45Å; Q248-Q341 PolarHBondContact O-NE2 2.96Å; Q341-D356 CarbonylContact O-C 3.57Å; Q341-D356 WeakPolarHBondContact O-CA 3.18Å; Q341-I357 HydrophobicContact CB-CB 4.49Å; Q341-I357 WeakPolarHBondContact CB-O 3.43Å; Q341-I357 PolarHBondContact N-O 3.05Å; Q341-I357 PolarHBondContact O-N 3.02Å; Q341-T359 HydrophobicContact CB-CG2 4.4Å; Q341-V906 HydrophobicContact CB-CG1 4.27Å; Q341-V906 HydrophobicContact CG-CG1 3.64Å
342	R	95.8	Very high	87.1	Confident	0 Å²	0	18 Å²	18	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.8	176.7	175.8	167	-73.8	-168.4	-13.4	110.7	A213 E247 Q248 Y355 D356 I691 N695	A213-R342 PolarHBondContact O-NH1 3Å; E247-R342 CarbonylContact C-O 3.51Å; E247-R342 WeakPolarHBondContact CA-O 3.4Å; Q248-R342 HydrophobicContact CB-CB 4.25Å; Q248-R342 PolarHBondContact N-O 3.31Å; Q248-R342 PolarHBondContact O-N 3Å; R342-Y355 CarbonylContact C-O 3.47Å; R342-Y355 WeakPolarHBondContact CA-O 3.37Å; R342-D356 WeakPolarHBondContact CB-OD1 3.39Å; R342-D356 VanDerWaalsContact CG-OD1 3.27Å; R342-D356 WeakPolarHBondContact CG-OD1 3.23Å; R342-D356 IonicContact CZ-OD1 3.51Å; R342-D356 IonicContact CZ-OD2 2.63Å; R342-D356 IonicContact NE-OD1 3.54Å; R342-D356 PolarHBondContact NE-OD1 3.46Å; R342-D356 IonicContact NE-OD2 3.58Å; R342-D356 PolarHBondContact NE-OD2 2.94Å; R342-D356 IonicContact NH2-OD1 3.34Å; R342-D356 PolarHBondContact NH2-OD1 2.79Å; R342-D356 IonicContact NH2-OD2 2.78Å; R342-D356 PolarHBondContact NH2-OD2 3.2Å; R342-I691 VanDerWaalsContact NH2-CG1 3.29Å; R342-N695 PolarHBondContact NH2-ND2 2.78Å; R342-N695 VanDerWaalsContact NH2-ND2 3.15Å; R342-N695 PolarHBondContact NH2-OD1 3.48Å
343	M	95.3	Very high	86.7	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.2	165.1	-178.5	176.9	68.6	0	0	108.2	I245 L246 V345 Y355 Q910 I913 L914	I245-M343 HydrophobicContact CG2-CG 3.61Å; I245-M343 HydrophobicContact CG2-SD 4.01Å; L246-M343 WeakPolarHBondContact O-CA 3.4Å; M343-V345 HydrophobicContact CE-CG2 3.85Å; M343-V345 HydrophobicContact CG-CG2 3.86Å; M343-V345 HydrophobicContact SD-CG2 4.12Å; M343-Y355 HydrophobicContact CE-CD2 3.81Å; M343-Y355 HydrophobicContact CE-CE2 4.44Å; M343-Y355 HydrophobicContact CE-CG 4.27Å; M343-Y355 PolarHBondContact N-O 2.82Å; M343-Y355 PolarHBondContact O-N 3.05Å; M343-Q910 HydrophobicContact CB-CG 4.23Å; M343-Q910 HydrophobicContact CE-CB 4.08Å; M343-Q910 HydrophobicContact CE-CG 4.16Å; M343-Q910 HydrophobicContact SD-CB 3.64Å; M343-Q910 HydrophobicContact SD-CG 3.8Å; M343-I913 HydrophobicContact CE-CB 4.07Å; M343-I913 HydrophobicContact CE-CG2 3.85Å; M343-L914 HydrophobicContact CE-CD2 4.22Å; M343-L914 HydrophobicContact CE-CG 4.03Å; M343-L914 HydrophobicContact SD-CD1 3.87Å; M343-L914 HydrophobicContact SD-CD2 4.1Å; M343-L914 HydrophobicContact SD-CG 3.92Å
344	R	91.9	Very high	86.4	Confident	17 Å²	17	23.8 Å²	23.8	6%	0.064	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.1	169.3	-173.5	-177	-59.2	174.3	4.7	108.6	D40 D42 I245 L246 Q353 N354	D40-R344 IonicContact OD2-CZ 2.9Å; D40-R344 IonicContact OD2-NH1 3.33Å; D40-R344 PolarHBondContact OD2-NH1 3.01Å; D40-R344 IonicContact OD2-NH2 3.33Å; D42-R344 IonicContact OD2-NH2 2.69Å; I245-R344 WeakPolarHBondContact CA-O 3.39Å; L246-R344 HydrophobicContact CB-CB 4.24Å; L246-R344 PolarHBondContact N-O 3.33Å; L246-R344 PolarHBondContact O-N 2.91Å; R344-Q353 CarbonylContact C-O 3.52Å; R344-Q353 VanDerWaalsContact CA-O 3.31Å; R344-Q353 WeakPolarHBondContact CA-O 3.41Å; R344-N354 WeakPolarHBondContact CB-OD1 3.43Å; R344-N354 VanDerWaalsContact CG-OD1 3.29Å; R344-N354 WeakPolarHBondContact CG-OD1 3.35Å; R344-N354 PolarHBondContact NE-OD1 3.42Å
345	V	91.6	Very high	86.2	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.1	179.5	-171.1	0	0	0	0	108.4	R244 M343 D352 Q353 Y355 L914 H918	R244-V345 WeakPolarHBondContact O-CA 3.44Å; M343-V345 HydrophobicContact CE-CG2 3.85Å; M343-V345 HydrophobicContact CG-CG2 3.86Å; M343-V345 HydrophobicContact SD-CG2 4.12Å; V345-D352 CarbonylContact O-C 3.58Å; V345-D352 WeakPolarHBondContact O-CA 3.3Å; V345-Q353 PolarHBondContact N-O 3.47Å; V345-Q353 PolarHBondContact O-N 2.74Å; V345-Y355 HydrophobicContact CG2-CD2 4.19Å; V345-Y355 HydrophobicContact CG2-CE2 4.06Å; V345-L914 HydrophobicContact CB-CD2 4.39Å; V345-L914 HydrophobicContact CG1-CD2 3.85Å; V345-L914 HydrophobicContact CG2-CD2 3.58Å; V345-H918 HydrophobicContact CG1-CB 4.28Å
346	Q	87.2	Confident	86.2	Confident	39 Å²	39	27.4 Å²	27.4	18%	0.182	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.7	173.9	170.3	166.8	65.9	0	0	108.2	R244 D352	R244-Q346 HydrophobicContact CB-CB 4.15Å; R244-Q346 PolarHBondContact N-O 3.45Å; R244-Q346 PolarHBondContact O-N 3.49Å; Q346-D352 WeakPolarHBondContact CB-OD1 3.45Å; Q346-D352 WeakPolarHBondContact CG-OD1 3.26Å; Q346-D352 PolarHBondContact NE2-OD1 2.94Å
347	D	77.8	Confident	86.2	Confident	16 Å²	16	27.6 Å²	27.6	9%	0.086	17%	0.17	C	C	.	.			trans	-95.4	167	173.6	70.3	0.3	0	0	0	112	L243 G349 G350 S351 R850	L243-D347 HydrophobicContact CD2-CB 4.31Å; D347-G349 PolarHBondContact O-N 2.91Å; D347-G349 VanDerWaalsContact O-N 3.14Å; D347-G349 PolarHBondContact OD1-N 3.37Å; D347-G350 PolarHBondContact O-N 2.89Å; D347-G350 PolarHBondContact OD1-N 3.13Å; D347-S351 PolarHBondContact OD1-N 3.39Å; D347-S351 PolarHBondContact OD1-OG 2.91Å; D347-S351 PolarHBondContact OD2-OG 2.9Å; D347-S351 VanDerWaalsContact OD2-OG 3.1Å; D347-R850 IonicContact OD2-CZ 3.14Å; D347-R850 IonicContact OD2-NH1 3.57Å; D347-R850 IonicContact OD2-NH2 2.7Å; D347-R850 PolarHBondContact OD2-NH2 3.23Å
348	D	64.8	Low	86.3	Confident	106 Å²	106	27.6 Å²	27.6	57%	0.567	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.5	178.1	-86.9	25.5	0	0	0	113.2	N241 G350	N241-D348 WeakPolarHBondContact CB-OD2 3.22Å; N241-D348 PolarHBondContact ND2-OD2 3.19Å; N241-D348 PolarHBondContact OD1-OD2 3.38Å; D348-G350 PolarHBondContact O-N 3.03Å
349	G	59.9	Low	86.4	Confident	71 Å²	71	27.6 Å²	27.6	73%	0.732	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.7	171.4	0	0	0	0	0	113.9	D347 S351	D347-G349 PolarHBondContact O-N 2.91Å; D347-G349 VanDerWaalsContact O-N 3.14Å; D347-G349 PolarHBondContact OD1-N 3.37Å; G349-S351 PolarHBondContact O-N 3.18Å
350	G	59.3	Low	86.4	Confident	48 Å²	48	27.6 Å²	27.6	50%	0.495	17%	0.17	S	C	.	.			trans	70.5	18.6	-178	0	0	0	0	0	113.5	D347 D348	D347-G350 PolarHBondContact O-N 2.89Å; D347-G350 PolarHBondContact OD1-N 3.13Å; D348-G350 PolarHBondContact O-N 3.03Å
351	S	62.2	Low	86.5	Confident	42 Å²	42	27.6 Å²	27.6	29%	0.294	17%	0.17	S	C	.	.			trans	-94.2	110	176.9	73.4	0	0	0	0	110.3	D347 G349	D347-S351 PolarHBondContact OD1-N 3.39Å; D347-S351 PolarHBondContact OD1-OG 2.91Å; D347-S351 PolarHBondContact OD2-OG 2.9Å; D347-S351 VanDerWaalsContact OD2-OG 3.1Å; G349-S351 PolarHBondContact O-N 3.18Å
352	D	74.7	Confident	86.5	Confident	25 Å²	25	27.6 Å²	27.6	13%	0.134	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.1	177.4	-48.9	-33.1	0	0	0	109.8	Y212 V345 Q346	Y212-D352 HydrophobicContact CD1-CB 4.44Å; Y212-D352 HydrophobicContact CE1-CB 3.64Å; Y212-D352 HydrophobicContact CE2-CB 4.34Å; Y212-D352 WeakPolarHBondContact CE2-OD2 3.2Å; Y212-D352 WeakPolarHBondContact OH-CB 3.43Å; Y212-D352 VanDerWaalsContact OH-CG 3.26Å; Y212-D352 PolarHBondContact OH-OD2 3.24Å; V345-D352 CarbonylContact O-C 3.58Å; V345-D352 WeakPolarHBondContact O-CA 3.3Å; Q346-D352 WeakPolarHBondContact CB-OD1 3.45Å; Q346-D352 WeakPolarHBondContact CG-OD1 3.26Å; Q346-D352 PolarHBondContact NE2-OD1 2.94Å
353	Q	86.6	Confident	86.6	Confident	96 Å²	96	27.6 Å²	27.6	45%	0.449	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	135.5	179.1	-64.4	-63.4	-19.6	0	0	110.7	R344 V345 Y355	R344-Q353 CarbonylContact C-O 3.52Å; R344-Q353 VanDerWaalsContact CA-O 3.31Å; R344-Q353 WeakPolarHBondContact CA-O 3.41Å; V345-Q353 PolarHBondContact N-O 3.47Å; V345-Q353 PolarHBondContact O-N 2.74Å; Q353-Y355 HydrophobicContact CB-CE2 3.85Å
354	N	90.6	Very high	86.7	Confident	36 Å²	36	27.6 Å²	27.6	19%	0.193	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.9	176	-71.2	-40.4	0	0	0	110.5	R344	R344-N354 WeakPolarHBondContact CB-OD1 3.43Å; R344-N354 VanDerWaalsContact CG-OD1 3.29Å; R344-N354 WeakPolarHBondContact CG-OD1 3.35Å; R344-N354 PolarHBondContact NE-OD1 3.42Å
355	Y	94.5	Very high	86.8	Confident	45 Å²	45	26.8 Å²	26.8	18%	0.176	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.4	172.1	-58.9	-84.9	0	0	0	109.5	R342 M343 V345 Q353 I913 H918	R342-Y355 CarbonylContact C-O 3.47Å; R342-Y355 WeakPolarHBondContact CA-O 3.37Å; M343-Y355 HydrophobicContact CE-CD2 3.81Å; M343-Y355 HydrophobicContact CE-CE2 4.44Å; M343-Y355 HydrophobicContact CE-CG 4.27Å; M343-Y355 PolarHBondContact N-O 2.82Å; M343-Y355 PolarHBondContact O-N 3.05Å; V345-Y355 HydrophobicContact CG2-CD2 4.19Å; V345-Y355 HydrophobicContact CG2-CE2 4.06Å; Q353-Y355 HydrophobicContact CB-CE2 3.85Å; Y355-I913 HydrophobicContact CD1-CD1 4.01Å; Y355-I913 HydrophobicContact CD1-CG2 3.93Å; Y355-I913 HydrophobicContact CD2-CG2 4.01Å; Y355-I913 HydrophobicContact CE1-CG2 3.61Å; Y355-I913 HydrophobicContact CE2-CG2 3.7Å; Y355-I913 HydrophobicContact CG-CD1 4.25Å; Y355-I913 HydrophobicContact CG-CG2 4.11Å; Y355-I913 VanDerWaalsContact CZ-CG2 3.47Å; Y355-H918 AromaticContact CE2-NE2 3.17Å; Y355-H918 WeakPolarHBondContact CE2-NE2 3.48Å; Y355-H918 AromaticContact CZ-NE2 3.35Å; Y355-H918 VanDerWaalsContact CZ-NE2 3.35Å; Y355-H918 PolarHBondContact OH-NE2 2.87Å
356	D	96.3	Very high	86.9	Confident	31 Å²	31	27.8 Å²	27.8	17%	0.166	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	134	-178.8	-68.2	-42.2	0	0	0	111.5	Q341 R342 I691 N695	Q341-D356 CarbonylContact O-C 3.57Å; Q341-D356 WeakPolarHBondContact O-CA 3.18Å; R342-D356 WeakPolarHBondContact CB-OD1 3.39Å; R342-D356 VanDerWaalsContact CG-OD1 3.27Å; R342-D356 WeakPolarHBondContact CG-OD1 3.23Å; R342-D356 IonicContact CZ-OD1 3.51Å; R342-D356 IonicContact CZ-OD2 2.63Å; R342-D356 IonicContact NE-OD1 3.54Å; R342-D356 PolarHBondContact NE-OD1 3.46Å; R342-D356 IonicContact NE-OD2 3.58Å; R342-D356 PolarHBondContact NE-OD2 2.94Å; R342-D356 IonicContact NH2-OD1 3.34Å; R342-D356 PolarHBondContact NH2-OD1 2.79Å; R342-D356 IonicContact NH2-OD2 2.78Å; R342-D356 PolarHBondContact NH2-OD2 3.2Å; D356-I691 HydrophobicContact CB-CG2 4.42Å; D356-I691 WeakPolarHBondContact OD2-CG1 3.32Å; D356-N695 PolarHBondContact OD2-ND2 2.61Å
357	I	98.1	Very high	87.2	Confident	5 Å²	5	28.3 Å²	28.3	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.2	174.3	-57.2	168.1	0	0	0	107.8	Q341 R891 T893 V906 E909	Q341-I357 HydrophobicContact CB-CB 4.49Å; Q341-I357 WeakPolarHBondContact CB-O 3.43Å; Q341-I357 PolarHBondContact N-O 3.05Å; Q341-I357 PolarHBondContact O-N 3.02Å; I357-R891 HydrophobicContact CG1-CB 4.32Å; I357-T893 VanDerWaalsContact CG2-OG1 3.3Å; I357-T893 WeakPolarHBondContact CG2-OG1 3.36Å; I357-V906 HydrophobicContact CD1-CG1 4.35Å; I357-V906 HydrophobicContact CG2-CG2 4.24Å; I357-E909 HydrophobicContact CD1-CB 4.36Å; I357-E909 HydrophobicContact CD1-CG 4.08Å
358	V	98.5	Very high	87.9	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.1	172.6	-172.8	0	0	0	0	108.6	L338 I340 A684 V890 R891 F892 T893	L338-V358 HydrophobicContact CD1-CG1 3.61Å; I340-V358 HydrophobicContact CD1-CB 4.26Å; I340-V358 HydrophobicContact CD1-CG1 4.2Å; I340-V358 HydrophobicContact CD1-CG2 3.65Å; V358-A684 HydrophobicContact CG1-CB 4.38Å; V358-V890 HydrophobicContact CG2-CG1 4.45Å; V358-R891 PolarHBondContact N-O 2.92Å; V358-F892 HydrophobicContact CB-CD1 3.43Å; V358-F892 VanDerWaalsContact CB-CD1 3.43Å; V358-F892 HydrophobicContact CB-CE1 3.65Å; V358-F892 HydrophobicContact CB-CG 4.28Å; V358-F892 HydrophobicContact CG1-CD1 3.74Å; V358-F892 HydrophobicContact CG1-CE1 3.84Å; V358-F892 HydrophobicContact CG2-CD1 3.94Å; V358-F892 HydrophobicContact CG2-CE1 3.65Å; V358-F892 HydrophobicContact CG2-CZ 4.32Å; V358-F892 CarbonylContact O-C 3.58Å; V358-F892 VanDerWaalsContact O-CA 3.25Å; V358-F892 WeakPolarHBondContact O-CA 3.41Å; V358-T893 PolarHBondContact O-N 3.07Å
359	T	98.3	Very high	89.2	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.9	175.8	70.6	0	0	0	0	110.3	L338 H339 Q341 T893 T902 V906 R938	L338-T359 VanDerWaalsContact CA-O 3.29Å; L338-T359 WeakPolarHBondContact CA-O 3.3Å; H339-T359 PolarHBondContact N-O 2.98Å; H339-T359 PolarHBondContact O-N 3.22Å; Q341-T359 HydrophobicContact CB-CG2 4.4Å; T359-T893 WeakPolarHBondContact CA-O 3.24Å; T359-T902 HydrophobicContact CG2-CG2 3.72Å; T359-V906 HydrophobicContact CG2-CG2 3.75Å; T359-R938 PolarHBondContact OG1-NH1 2.96Å; T359-R938 VanDerWaalsContact OG1-NH1 3.16Å
360	I	98.1	Very high	90.8	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	138.4	179.4	-169.3	-179.6	0	0	0	110.8	P335 L338 P363 Q680 A684 T893 S894 A898	P335-I360 HydrophobicContact CB-CD1 3.5Å; P335-I360 HydrophobicContact CB-CG1 3.99Å; L338-I360 HydrophobicContact CD1-CB 3.97Å; L338-I360 HydrophobicContact CD1-CD1 4.44Å; L338-I360 HydrophobicContact CD1-CG1 4.19Å; I360-P363 HydrophobicContact CD1-CG 4.34Å; I360-Q680 WeakPolarHBondContact CD1-O 3.22Å; I360-A684 HydrophobicContact CB-CB 4.4Å; I360-A684 HydrophobicContact CD1-CB 3.65Å; I360-A684 HydrophobicContact CG2-CB 4.38Å; I360-T893 PolarHBondContact N-O 3.15Å; I360-T893 VanDerWaalsContact N-O 3.16Å; I360-S894 WeakPolarHBondContact O-CA 3.41Å; I360-S894 WeakPolarHBondContact O-CB 3.18Å; I360-S894 PolarHBondContact O-OG 3.11Å; I360-A898 WeakPolarHBondContact O-CB 3.33Å
361	G	97.5	Very high	92.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	159.8	169.8	0	0	0	0	0	110.7	T336 P363 C895	T336-G361 WeakPolarHBondContact O-CA 3.4Å; T336-G361 PolarHBondContact O-N 3.16Å; G361-P363 WeakPolarHBondContact O-CD 3.32Å; G361-P363 VanDerWaalsContact O-N 3.09Å; G361-C895 CarbonylContact C-O 3.59Å; G361-C895 WeakPolarHBondContact CA-O 3.16Å
362	A	97.3	Very high	93.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.			trans	-55.4	119.8	-179.1	0	0	0	0	0	110.2	A364 L719 M728 M732 S894 C895	A362-A364 PolarHBondContact O-N 2.74Å; A362-L719 HydrophobicContact CB-CD1 3.78Å; A362-L719 HydrophobicContact CB-CD2 4.02Å; A362-L719 HydrophobicContact CB-CG 4.35Å; A362-M728 HydrophobicContact CB-CB 4.21Å; A362-M732 HydrophobicContact CB-SD 4.49Å; A362-S894 PolarHBondContact N-OG 2.97Å; A362-C895 PolarHBondContact N-O 3.4Å
363	P	97.8	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.			trans	-59.8	110.5	173.8	-25.3	36.1	0	0	0	109.8	I360 G361 V677 Q680 T681 M732	I360-P363 HydrophobicContact CD1-CG 4.34Å; G361-P363 WeakPolarHBondContact O-CD 3.32Å; G361-P363 VanDerWaalsContact O-N 3.09Å; P363-V677 HydrophobicContact CB-CG1 4Å; P363-Q680 HydrophobicContact CB-CB 4.19Å; P363-T681 VanDerWaalsContact CB-OG1 3.29Å; P363-T681 WeakPolarHBondContact CB-OG1 3.47Å; P363-M732 HydrophobicContact CG-CG 4.35Å; P363-M732 PolarHBondContact O-N 3.14Å
364	A	97.1	Very high	94.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.			trans	-158.9	147.3	-170.8	0	0	0	0	0	111.8	A362 H366 F370 Q680 M728 D731	A362-A364 PolarHBondContact O-N 2.74Å; A364-H366 VanDerWaalsContact C-N 3.35Å; A364-H366 PolarHBondContact O-N 3.35Å; A364-H366 VanDerWaalsContact O-N 3.11Å; A364-F370 HydrophobicContact CB-CE1 4.18Å; A364-F370 HydrophobicContact CB-CZ 3.98Å; A364-Q680 PolarHBondContact O-NE2 2.97Å; A364-M728 HydrophobicContact CB-CB 4.18Å; A364-M728 HydrophobicContact CB-CG 3.92Å; A364-D731 HydrophobicContact CB-CB 4.38Å
365	A	95.4	Very high	94.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.148	C	C	.	.			trans	-87.2	73.4	176	0	0	0	0	0	111	C367 Q368 R673 V676 D731	A365-C367 VanDerWaalsContact C-N 3.26Å; A365-C367 PolarHBondContact O-N 3.47Å; A365-Q368 HydrophobicContact CB-CB 4.34Å; A365-Q368 HydrophobicContact CB-CG 4.28Å; A365-Q368 PolarHBondContact O-N 3.32Å; A365-Q368 VanDerWaalsContact O-N 3.17Å; A365-R673 HydrophobicContact CB-CG 3.64Å; A365-V676 HydrophobicContact CB-CG1 4.21Å; A365-D731 PolarHBondContact N-OD2 3.03Å
366	H	93.8	Very high	94.7	Very high	22 Å²	22	28.8 Å²	28.8	10%	0.102	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-57.1	-37.2	-176.8	-69	-72.3	0	0	0	113.4	K326 A364 Q368 G369 F370 M728	K326-H366 WeakPolarHBondContact O-CB 3.36Å; A364-H366 VanDerWaalsContact C-N 3.35Å; A364-H366 PolarHBondContact O-N 3.35Å; A364-H366 VanDerWaalsContact O-N 3.11Å; H366-Q368 PolarHBondContact O-N 3.09Å; H366-G369 PolarHBondContact O-N 3.31Å; H366-G369 VanDerWaalsContact O-N 3.1Å; H366-F370 AromaticContact ND1-CE2 3.69Å; H366-F370 AromaticContact ND1-CZ 3.75Å; H366-M728 VanDerWaalsContact CE1-CE 3.45Å; H366-M728 WeakPolarHBondContact CE1-CE 3.29Å
367	C	92.6	Very high	94.6	Very high	49 Å²	49	33.3 Å²	33.3	33%	0.331	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-66.4	-23.9	-177.9	-57.5	0	0	0	0	112.9	A327 E332 A365	A327-C367 PolarHBondContact O-SG 2.98Å; E332-C367 HydrophobicContact CG-CB 4.35Å; A365-C367 VanDerWaalsContact C-N 3.26Å; A365-C367 PolarHBondContact O-N 3.47Å
368	Q	91.8	Very high	94.4	Very high	59 Å²	59	35 Å²	35	28%	0.276	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-89.4	-6.4	177	-61.9	177.9	37.5	0	0	113.3	A365 H366 Y672	A365-Q368 HydrophobicContact CB-CB 4.34Å; A365-Q368 HydrophobicContact CB-CG 4.28Å; A365-Q368 PolarHBondContact O-N 3.32Å; A365-Q368 VanDerWaalsContact O-N 3.17Å; H366-Q368 PolarHBondContact O-N 3.09Å; Q368-Y672 VanDerWaalsContact NE2-CD1 3.27Å
369	G	92.4	Very high	94.1	Very high	28 Å²	28	36.7 Å²	36.7	29%	0.289	19%	0.187	S	C	.	.			trans	65.1	-178.2	-178.2	0	0	0	0	0	114.9	H366 R673	H366-G369 PolarHBondContact O-N 3.31Å; H366-G369 VanDerWaalsContact O-N 3.1Å; G369-R673 PolarHBondContact O-NH1 3.32Å
370	F	94.4	Very high	93.7	Very high	20 Å²	20	41.8 Å²	41.8	9%	0.088	21%	0.211	C	C	.	.	S	Bend	trans	-133.2	8.1	-169.1	-56.7	-72	0	0	0	114.2	A364 H366 S372 G373 R673 E724 A727 M728	A364-F370 HydrophobicContact CB-CE1 4.18Å; A364-F370 HydrophobicContact CB-CZ 3.98Å; H366-F370 AromaticContact ND1-CE2 3.69Å; H366-F370 AromaticContact ND1-CZ 3.75Å; F370-S372 PolarHBondContact O-N 3.45Å; F370-G373 PolarHBondContact O-N 2.97Å; F370-G373 VanDerWaalsContact O-N 3.08Å; F370-R673 VanDerWaalsContact CD1-NH2 3.27Å; F370-E724 HydrophobicContact CB-CB 4.4Å; F370-E724 HydrophobicContact CB-CG 4.45Å; F370-E724 HydrophobicContact CD2-CB 4.11Å; F370-E724 HydrophobicContact CD2-CG 4.38Å; F370-E724 HydrophobicContact CG-CB 4.44Å; F370-A727 HydrophobicContact CB-CB 3.65Å; F370-A727 HydrophobicContact CD1-CB 3.46Å; F370-A727 VanDerWaalsContact CD1-CB 3.46Å; F370-A727 HydrophobicContact CE1-CB 4.45Å; F370-A727 HydrophobicContact CG-CB 3.87Å; F370-M728 HydrophobicContact CD1-CG 4.49Å; F370-M728 HydrophobicContact CD2-CE 4.07Å; F370-M728 HydrophobicContact CE1-CG 3.83Å; F370-M728 HydrophobicContact CE2-CE 3.46Å; F370-M728 VanDerWaalsContact CE2-CE 3.46Å; F370-M728 HydrophobicContact CE2-CG 4.22Å; F370-M728 HydrophobicContact CZ-CE 3.81Å; F370-M728 HydrophobicContact CZ-CG 3.68Å
371	K	89.3	Confident	93.4	Very high	223 Å²	223	48.5 Å²	48.5	97%	0.97	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.3	-176.5	-67.2	-177.1	179.9	178.1	0	113.2
372	S	86.6	Confident	92.9	Very high	80 Å²	80	49.9 Å²	49.9	56%	0.559	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.4	19	179.7	52.4	0	0	0	0	113.9	F370 K378	F370-S372 PolarHBondContact O-N 3.45Å; S372-K378 WeakPolarHBondContact OG-CE 3.3Å
373	G	91.6	Very high	92.4	Very high	12 Å²	12	55 Å²	55	12%	0.124	27%	0.27	C	S	.	.			trans	85	179.4	-172.3	0	0	0	0	0	113	F370 K378	F370-G373 PolarHBondContact O-N 2.97Å; F370-G373 VanDerWaalsContact O-N 3.08Å; G373-K378 VanDerWaalsContact O-CE 3.28Å; G373-K378 WeakPolarHBondContact O-CE 3.23Å
374	G	94.1	Very high	91.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.29	C	S	.	.			trans	-95.4	-170.9	176.4	0	0	0	0	0	112.5	R376 K377 K378 A727 E730 D731	G374-R376 PolarHBondContact O-N 3.45Å; G374-K377 PolarHBondContact O-N 3.04Å; G374-K378 WeakPolarHBondContact O-CB 3.11Å; G374-K378 VanDerWaalsContact O-CG 3.25Å; G374-K378 WeakPolarHBondContact O-CG 3.28Å; G374-K378 PolarHBondContact O-N 2.71Å; G374-A727 WeakPolarHBondContact CA-O 3.19Å; G374-E730 WeakPolarHBondContact CA-OE2 3.36Å; G374-E730 PolarHBondContact N-OE2 2.62Å; G374-D731 WeakPolarHBondContact CA-OD1 3.5Å
375	L	94.8	Very high	91.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-62.5	-42.8	-169.5	-175.4	64.5	0	0	0	112.6	K377 K378 L379 R673 R674 D731 L734	L375-K377 PolarHBondContact O-N 3.05Å; L375-K378 PolarHBondContact O-N 3.39Å; L375-L379 HydrophobicContact CD1-CD1 4.12Å; L375-L379 HydrophobicContact CD1-CG 4.17Å; L375-L379 HydrophobicContact CG-CD1 3.91Å; L375-L379 HydrophobicContact CG-CG 4.38Å; L375-L379 WeakPolarHBondContact O-CB 3.28Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L375-L379 PolarHBondContact O-N 3.08Å; L375-R673 HydrophobicContact CD1-CB 4.21Å; L375-R673 HydrophobicContact CD1-CG 4.25Å; L375-R674 HydrophobicContact CD1-CB 4.33Å; L375-R674 HydrophobicContact CD2-CB 3.73Å; L375-R674 HydrophobicContact CD2-CG 3.87Å; L375-D731 WeakPolarHBondContact CB-OD1 3.48Å; L375-D731 PolarHBondContact N-OD1 3.19Å; L375-L734 HydrophobicContact CB-CD1 3.98Å; L375-L734 HydrophobicContact CD2-CB 4.15Å; L375-L734 HydrophobicContact CD2-CD1 3.76Å; L375-L734 HydrophobicContact CG-CD1 3.58Å
376	R	94.3	Very high	90.2	Very high	73 Å²	73	65.4 Å²	65.4	28%	0.275	32%	0.324	S	S	.	.	H	α-helix	trans	-59.3	-48.9	-179.4	-170	175.5	-180	134.6	-2.6	112.1	G374 H380 E730 L734 E825	G374-R376 PolarHBondContact O-N 3.45Å; R376-H380 PolarHBondContact O-N 3Å; R376-H380 VanDerWaalsContact O-N 3.14Å; R376-E730 HydrophobicContact CB-CB 3.87Å; R376-E730 HydrophobicContact CB-CG 4.14Å; R376-L734 HydrophobicContact CB-CD1 3.89Å; R376-L734 HydrophobicContact CB-CG 4.13Å; R376-E825 IonicContact NH1-OE1 2.62Å; R376-E825 IonicContact NH2-OE1 3.79Å; R376-E825 PolarHBondContact NH2-OE1 3.12Å; R376-E825 VanDerWaalsContact NH2-OE1 3.16Å
377	K	93.4	Very high	89.2	Confident	126 Å²	126	70.2 Å²	70.2	55%	0.548	35%	0.345	S	S	.	.	H	α-helix	trans	-66.5	-39.8	177.4	-176.2	173.3	-177.3	171.3	0	112.2	G374 L375 H380 K381 E730	G374-K377 PolarHBondContact O-N 3.04Å; L375-K377 PolarHBondContact O-N 3.05Å; K377-H380 PolarHBondContact O-N 3.26Å; K377-K381 WeakPolarHBondContact O-CB 3.37Å; K377-K381 PolarHBondContact O-N 3.46Å; K377-E730 WeakPolarHBondContact CB-OE2 3.26Å
378	K	93.8	Very high	88.2	Confident	40 Å²	40	73.8 Å²	73.8	17%	0.174	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-40	178.8	-74.6	177	174.9	-178.6	0	112.7	S372 G373 G374 L375 K381 F382 L670	S372-K378 WeakPolarHBondContact OG-CE 3.3Å; G373-K378 VanDerWaalsContact O-CE 3.28Å; G373-K378 WeakPolarHBondContact O-CE 3.23Å; G374-K378 WeakPolarHBondContact O-CB 3.11Å; G374-K378 VanDerWaalsContact O-CG 3.25Å; G374-K378 WeakPolarHBondContact O-CG 3.28Å; G374-K378 PolarHBondContact O-N 2.71Å; L375-K378 PolarHBondContact O-N 3.39Å; K378-K381 PolarHBondContact O-N 3.3Å; K378-F382 WeakPolarHBondContact O-CB 3Å; K378-F382 PolarHBondContact O-N 3.02Å; K378-L670 HydrophobicContact CB-CD2 3.54Å; K378-L670 HydrophobicContact CD-CD2 4.02Å; K378-L670 HydrophobicContact CG-CD2 4.34Å
379	L	92.6	Very high	87	Confident	37 Å²	37	75.7 Å²	75.7	19%	0.194	36%	0.363	C	S	.	.	H	α-helix	trans	-65.4	-45	175.2	-78.5	169.9	0	0	0	111.6	L375 K381 F382 E383 L670 L734	L375-L379 HydrophobicContact CD1-CD1 4.12Å; L375-L379 HydrophobicContact CD1-CG 4.17Å; L375-L379 HydrophobicContact CG-CD1 3.91Å; L375-L379 HydrophobicContact CG-CG 4.38Å; L375-L379 WeakPolarHBondContact O-CB 3.28Å; L375-L379 WeakPolarHBondContact O-CG 3.46Å; L375-L379 PolarHBondContact O-N 3.08Å; L379-K381 VanDerWaalsContact C-N 3.33Å; L379-K381 PolarHBondContact O-N 3.37Å; L379-F382 WeakPolarHBondContact O-CB 3.32Å; L379-F382 PolarHBondContact O-N 2.81Å; L379-F382 VanDerWaalsContact O-N 3.13Å; L379-E383 WeakPolarHBondContact O-CG 3.42Å; L379-E383 PolarHBondContact O-N 3.45Å; L379-L670 HydrophobicContact CD2-CB 4.45Å; L379-L670 HydrophobicContact CD2-CD1 4.22Å; L379-L734 HydrophobicContact CD1-CD1 3.58Å
380	H	90.3	Very high	85.7	Confident	107 Å²	107	76.8 Å²	76.8	50%	0.495	36%	0.361	S	S	.	.	H	α-helix	trans	-57.3	-47.6	175.2	-171	-87.8	0	0	0	111.7	R376 K377 F382 E383 E384	R376-H380 PolarHBondContact O-N 3Å; R376-H380 VanDerWaalsContact O-N 3.14Å; K377-H380 PolarHBondContact O-N 3.26Å; H380-F382 VanDerWaalsContact C-N 3.29Å; H380-F382 PolarHBondContact O-N 3.34Å; H380-E383 PolarHBondContact O-N 2.83Å; H380-E384 IonicContact CE1-OE1 3.68Å; H380-E384 PolarHBondContact CE1-OE1 3.17Å; H380-E384 IonicContact CE1-OE2 3.16Å; H380-E384 IonicContact ND1-OE1 3.39Å; H380-E384 PolarHBondContact ND1-OE1 3.43Å; H380-E384 IonicContact ND1-OE2 3.88Å; H380-E384 PolarHBondContact ND1-OE2 3.06Å; H380-E384 WeakPolarHBondContact O-CG 3.34Å; H380-E384 PolarHBondContact O-N 3.05Å
381	K	90.4	Very high	84.2	Confident	142 Å²	142	81.9 Å²	81.9	62%	0.617	39%	0.385	S	S	*	.	H	α-helix	trans	-61.4	-38.9	177.1	-173.4	177.6	-179.9	-177.7	0	112	K377 K378 L379 T385	K377-K381 WeakPolarHBondContact O-CB 3.37Å; K377-K381 PolarHBondContact O-N 3.46Å; K378-K381 PolarHBondContact O-N 3.3Å; L379-K381 VanDerWaalsContact C-N 3.33Å; L379-K381 PolarHBondContact O-N 3.37Å; K381-T385 WeakPolarHBondContact O-CB 3.49Å; K381-T385 PolarHBondContact O-N 3.33Å; K381-T385 PolarHBondContact O-OG1 3.48Å
382	F	88.3	Confident	82.8	Confident	30 Å²	30	74.9 Å²	74.9	13%	0.132	36%	0.364	C	S	.	.	H	α-helix	trans	-63.9	-46.5	176.6	176.3	-99.6	0	0	0	111.8	K378 L379 H380 E384 T385 K386 T663 T666 Y667 L670	K378-F382 WeakPolarHBondContact O-CB 3Å; K378-F382 PolarHBondContact O-N 3.02Å; L379-F382 WeakPolarHBondContact O-CB 3.32Å; L379-F382 PolarHBondContact O-N 2.81Å; L379-F382 VanDerWaalsContact O-N 3.13Å; H380-F382 VanDerWaalsContact C-N 3.29Å; H380-F382 PolarHBondContact O-N 3.34Å; F382-E384 PolarHBondContact O-N 2.88Å; F382-T385 PolarHBondContact O-N 3.15Å; F382-K386 WeakPolarHBondContact O-CB 3.45Å; F382-K386 PolarHBondContact O-N 3.45Å; F382-T663 HydrophobicContact CE2-CG2 4.4Å; F382-T666 HydrophobicContact CD2-CG2 3.63Å; F382-T666 HydrophobicContact CE2-CG2 4.04Å; F382-Y667 HydrophobicContact CE1-CD2 4.34Å; F382-Y667 HydrophobicContact CZ-CD2 4.29Å; F382-L670 HydrophobicContact CB-CD1 3.62Å; F382-L670 HydrophobicContact CD1-CD1 4.38Å; F382-L670 HydrophobicContact CD2-CD1 3.97Å; F382-L670 HydrophobicContact CG-CD1 3.74Å
383	E	85.8	Confident	81.2	Confident	106 Å²	106	72.3 Å²	72.3	50%	0.495	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-41.7	176.1	-71.3	173.6	-172.6	0	0	112	L379 H380 T385 K386 K387	L379-E383 WeakPolarHBondContact O-CG 3.42Å; L379-E383 PolarHBondContact O-N 3.45Å; H380-E383 PolarHBondContact O-N 2.83Å; E383-T385 VanDerWaalsContact C-N 3.35Å; E383-T385 PolarHBondContact O-N 3.24Å; E383-K386 PolarHBondContact O-N 2.99Å; E383-K387 WeakPolarHBondContact O-CG 3.32Å; E383-K387 PolarHBondContact O-N 3.37Å
384	E	84.8	Confident	79.2	Confident	91 Å²	91	76.2 Å²	76.2	43%	0.425	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-41.1	174.8	-73.4	175.1	140.5	0	0	112.4	H380 F382 H388	H380-E384 IonicContact CE1-OE1 3.68Å; H380-E384 PolarHBondContact CE1-OE1 3.17Å; H380-E384 IonicContact CE1-OE2 3.16Å; H380-E384 IonicContact ND1-OE1 3.39Å; H380-E384 PolarHBondContact ND1-OE1 3.43Å; H380-E384 IonicContact ND1-OE2 3.88Å; H380-E384 PolarHBondContact ND1-OE2 3.06Å; H380-E384 WeakPolarHBondContact O-CG 3.34Å; H380-E384 PolarHBondContact O-N 3.05Å; F382-E384 PolarHBondContact O-N 2.88Å; E384-H388 PolarHBondContact O-N 2.78Å; E384-H388 PolarHBondContact O-ND1 3.17Å
385	T	82	Confident	76.8	Confident	83 Å²	83	80.8 Å²	80.8	51%	0.509	40%	0.399	S	S	.	.	H	α-helix	trans	-70.4	-40.2	179.4	-53.3	0	0	0	0	110.7	K381 F382 E383 H388 F389	K381-T385 WeakPolarHBondContact O-CB 3.49Å; K381-T385 PolarHBondContact O-N 3.33Å; K381-T385 PolarHBondContact O-OG1 3.48Å; F382-T385 PolarHBondContact O-N 3.15Å; E383-T385 VanDerWaalsContact C-N 3.35Å; E383-T385 PolarHBondContact O-N 3.24Å; T385-H388 PolarHBondContact O-N 2.72Å; T385-F389 PolarHBondContact O-N 2.7Å
386	K	76.4	Confident	74.3	Confident	46 Å²	46	84.9 Å²	84.9	20%	0.2	43%	0.427	C	S	.	.	H	α-helix	trans	-61.3	-45.7	175.2	-177.2	169.8	174.8	160.8	0	110.9	F382 E383 H388 F389 E390 D659	F382-K386 WeakPolarHBondContact O-CB 3.45Å; F382-K386 PolarHBondContact O-N 3.45Å; E383-K386 PolarHBondContact O-N 2.99Å; K386-H388 PolarHBondContact O-N 2.9Å; K386-F389 PolarHBondContact O-N 3.37Å; K386-E390 WeakPolarHBondContact CE-OE1 3.23Å; K386-E390 WeakPolarHBondContact CG-OE1 3.42Å; K386-E390 WeakPolarHBondContact O-CG 3.44Å; K386-E390 PolarHBondContact O-N 2.91Å; K386-D659 VanDerWaalsContact NZ-CG 3.31Å; K386-D659 IonicContact NZ-OD1 3.05Å; K386-D659 PolarHBondContact NZ-OD1 3.23Å; K386-D659 IonicContact NZ-OD2 3.36Å; K386-D659 PolarHBondContact NZ-OD2 2.68Å
387	K	74.4	Confident	71.4	Confident	123 Å²	123	84 Å²	84	54%	0.535	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-44.8	175.2	-72.9	175	-176.3	176.7	0	112.9	E383 F389 E390 E391	E383-K387 WeakPolarHBondContact O-CG 3.32Å; E383-K387 PolarHBondContact O-N 3.37Å; K387-F389 VanDerWaalsContact C-N 3.31Å; K387-F389 PolarHBondContact O-N 3.12Å; K387-E390 PolarHBondContact O-N 3.16Å; K387-E391 WeakPolarHBondContact O-CG 3.35Å; K387-E391 PolarHBondContact O-N 2.82Å
388	H	70.9	Confident	68.5	Low	123 Å²	123	79.1 Å²	79.1	57%	0.569	42%	0.422	S	S	*	.	H	α-helix	trans	-62.6	-38.4	176.7	-84.2	75.2	0	0	0	112.4	E384 T385 K386 C392	E384-H388 PolarHBondContact O-N 2.78Å; E384-H388 PolarHBondContact O-ND1 3.17Å; T385-H388 PolarHBondContact O-N 2.72Å; K386-H388 PolarHBondContact O-N 2.9Å; H388-C392 WeakPolarHBondContact O-CB 3.33Å; H388-C392 PolarHBondContact O-N 3.02Å; H388-C392 PolarHBondContact O-SG 2.96Å; H388-C392 VanDerWaalsContact O-SG 3.35Å
389	F	67.3	Low	65.7	Low	99 Å²	99	82.5 Å²	82.5	43%	0.434	44%	0.439	S	S	.	.	H	α-helix	trans	-64.7	-45.3	175.9	-174.3	-95.6	0	0	0	111.2	T385 K386 K387 C392 C393 P662	T385-F389 PolarHBondContact O-N 2.7Å; K386-F389 PolarHBondContact O-N 3.37Å; K387-F389 VanDerWaalsContact C-N 3.31Å; K387-F389 PolarHBondContact O-N 3.12Å; F389-C392 PolarHBondContact O-N 3.37Å; F389-C393 VanDerWaalsContact CE1-SG 3.6Å; F389-C393 WeakPolarHBondContact O-CB 3.45Å; F389-C393 PolarHBondContact O-N 3.38Å; F389-C393 PolarHBondContact O-SG 3.28Å; F389-P662 HydrophobicContact CD1-CG 4.34Å; F389-P662 HydrophobicContact CE1-CB 3.98Å; F389-P662 HydrophobicContact CE1-CG 3.71Å; F389-P662 HydrophobicContact CE2-CB 4.35Å; F389-P662 HydrophobicContact CZ-CB 3.81Å; F389-P662 HydrophobicContact CZ-CG 4.04Å
390	E	65.3	Low	63.1	Low	52 Å²	52	83.5 Å²	83.5	24%	0.243	45%	0.449	C	S	.	.	H	α-helix	trans	-59.2	-46.7	175.8	-71.3	170.4	-172.1	0	0	111.8	K386 K387 C393 T394 P405	K386-E390 WeakPolarHBondContact CE-OE1 3.23Å; K386-E390 WeakPolarHBondContact CG-OE1 3.42Å; K386-E390 WeakPolarHBondContact O-CG 3.44Å; K386-E390 PolarHBondContact O-N 2.91Å; K387-E390 PolarHBondContact O-N 3.16Å; E390-C393 PolarHBondContact O-N 3.45Å; E390-T394 WeakPolarHBondContact O-CG2 3.3Å; E390-T394 PolarHBondContact O-N 3.13Å; E390-P405 VanDerWaalsContact OE2-CG 3.26Å; E390-P405 WeakPolarHBondContact OE2-CG 3.4Å
391	E	63	Low	61.3	Low	126 Å²	126	82 Å²	82	59%	0.589	44%	0.444	S	S	*	.	H	α-helix	trans	-62.4	-45.9	177.4	-74	176.4	-173	0	0	112.1	K387 C393 T394 S395	K387-E391 WeakPolarHBondContact O-CG 3.35Å; K387-E391 PolarHBondContact O-N 2.82Å; E391-C393 VanDerWaalsContact C-N 3.35Å; E391-C393 PolarHBondContact O-N 2.92Å; E391-T394 PolarHBondContact O-N 3.42Å; E391-T394 PolarHBondContact O-OG1 3.39Å; E391-S395 PolarHBondContact O-N 2.9Å
392	C	57.9	Low	59.5	Low	77 Å²	77	79.4 Å²	79.4	52%	0.52	44%	0.436	S	S	.	.	H	α-helix	trans	-60.6	-42	176.3	-77.6	0	0	0	0	112.3	H388 F389 T394 S395 S396	H388-C392 WeakPolarHBondContact O-CB 3.33Å; H388-C392 PolarHBondContact O-N 3.02Å; H388-C392 PolarHBondContact O-SG 2.96Å; H388-C392 VanDerWaalsContact O-SG 3.35Å; F389-C392 PolarHBondContact O-N 3.37Å; C392-T394 VanDerWaalsContact C-N 3.35Å; C392-T394 PolarHBondContact O-N 3.04Å; C392-S395 PolarHBondContact O-N 2.87Å; C392-S395 PolarHBondContact O-OG 3.02Å; C392-S396 PolarHBondContact O-N 3.48Å
393	C	53.2	Low	58.3	Low	26 Å²	26	79.5 Å²	79.5	18%	0.176	44%	0.435	C	S	.	.	H	α-helix	trans	-66	-34.6	177.8	-71.3	0	0	0	0	112.8	F389 E390 E391 S395	F389-C393 VanDerWaalsContact CE1-SG 3.6Å; F389-C393 WeakPolarHBondContact O-CB 3.45Å; F389-C393 PolarHBondContact O-N 3.38Å; F389-C393 PolarHBondContact O-SG 3.28Å; E390-C393 PolarHBondContact O-N 3.45Å; E391-C393 VanDerWaalsContact C-N 3.35Å; E391-C393 PolarHBondContact O-N 2.92Å; C393-S395 VanDerWaalsContact C-N 3.31Å; C393-S395 PolarHBondContact O-N 3.17Å
394	T	50.6	Low	57.4	Low	94 Å²	94	79.2 Å²	79.2	58%	0.577	44%	0.436	S	S	*	.	H	α-helix	trans	-70	-26.2	175.2	62.1	0	0	0	0	113.3	E390 E391 C392	E390-T394 WeakPolarHBondContact O-CG2 3.3Å; E390-T394 PolarHBondContact O-N 3.13Å; E391-T394 PolarHBondContact O-N 3.42Å; E391-T394 PolarHBondContact O-OG1 3.39Å; C392-T394 VanDerWaalsContact C-N 3.35Å; C392-T394 PolarHBondContact O-N 3.04Å
395	S	44.4	Very low	56.4	Low	95 Å²	95	77.8 Å²	77.8	66%	0.664	44%	0.435	S	S	*	.	H	α-helix	trans	-84	-21	-179.3	72.8	0	0	0	0	114.8	E391 C392 C393 G397	E391-S395 PolarHBondContact O-N 2.9Å; C392-S395 PolarHBondContact O-N 2.87Å; C392-S395 PolarHBondContact O-OG 3.02Å; C393-S395 VanDerWaalsContact C-N 3.31Å; C393-S395 PolarHBondContact O-N 3.17Å; S395-G397 PolarHBondContact O-N 2.86Å
396	S	40.6	Very low	55.9	Low	86 Å²	86	80.5 Å²	80.5	60%	0.601	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	8.8	-172.5	-95.7	0	0	0	0	116.3	C392 C398	C392-S396 PolarHBondContact O-N 3.48Å; S396-C398 VanDerWaalsContact C-N 3.29Å; S396-C398 PolarHBondContact O-N 2.75Å
397	G	34.4	Very low	56	Low	54 Å²	54	79.5 Å²	79.5	56%	0.557	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	28.3	169.1	0	0	0	0	0	115.7	S395	S395-G397 PolarHBondContact O-N 2.86Å
398	C	32	Very low	56.1	Low	24 Å²	24	74.3 Å²	74.3	16%	0.162	42%	0.417	C	S	.	.			trans	-88	117.4	174.1	-85.2	0	0	0	0	110.9	S396 S400 M506	S396-C398 VanDerWaalsContact C-N 3.29Å; S396-C398 PolarHBondContact O-N 2.75Å; C398-S400 VanDerWaalsContact C-N 3.25Å; C398-S400 PolarHBondContact O-N 2.77Å; C398-M506 HydrophobicContact CB-CE 4.28Å; C398-M506 HydrophobicContact CB-SD 3.38Å; C398-M506 WeakPolarHBondContact CB-SD 3.18Å; C398-M506 PolarHBondContact SG-SD 3.11Å
399	Q	34.2	Very low	56.5	Low	112 Å²	112	72.4 Å²	72.4	52%	0.523	41%	0.414	S	S	.	.			trans	-80.2	64.2	177.4	-65.1	-175	-15.2	0	0	111.3	W509	Q399-W509 PolarHBondContact OE1-O 3.28Å
400	S	39.8	Very low	57.3	Low	58 Å²	58	72.9 Å²	72.9	41%	0.406	41%	0.413	S	S	.	.	S	Bend	trans	-97.3	157.8	155	52.3	0	0	0	0	108.5	C398 I402	C398-S400 VanDerWaalsContact C-N 3.25Å; C398-S400 PolarHBondContact O-N 2.77Å; S400-I402 VanDerWaalsContact C-N 3.35Å; S400-I402 PolarHBondContact O-N 2.73Å
401	I	50.7	Low	58.3	Low	74 Å²	74	70.4 Å²	70.4	38%	0.379	40%	0.401	S	S	.	.			trans	-64.3	99.9	170.8	-60.6	172.7	0	0	0	106.6	Y403	I401-Y403 HydrophobicContact CB-CE2 4.29Å; I401-Y403 HydrophobicContact CG2-CD1 4.23Å; I401-Y403 HydrophobicContact CG2-CD2 4.4Å; I401-Y403 HydrophobicContact CG2-CE1 3.72Å; I401-Y403 HydrophobicContact CG2-CE2 3.92Å; I401-Y403 WeakPolarHBondContact O-CD2 3.43Å; I401-Y403 PolarHBondContact O-N 3.42Å
402	I	53.7	Low	59.3	Low	88 Å²	88	70 Å²	70	45%	0.451	40%	0.398	S	S	.	.			trans	-79.6	106.2	178.6	-60.9	170.7	0	0	0	107.2	S400	S400-I402 VanDerWaalsContact C-N 3.35Å; S400-I402 PolarHBondContact O-N 2.73Å
403	Y	63	Low	60.6	Low	32 Å²	32	71.2 Å²	71.2	13%	0.125	40%	0.396	C	S	.	.			trans	-77.9	133.4	172.7	-63.7	-74.3	0	0	0	109.9	I401 D407 L466 S470 L655	I401-Y403 HydrophobicContact CB-CE2 4.29Å; I401-Y403 HydrophobicContact CG2-CD1 4.23Å; I401-Y403 HydrophobicContact CG2-CD2 4.4Å; I401-Y403 HydrophobicContact CG2-CE1 3.72Å; I401-Y403 HydrophobicContact CG2-CE2 3.92Å; I401-Y403 WeakPolarHBondContact O-CD2 3.43Å; I401-Y403 PolarHBondContact O-N 3.42Å; Y403-D407 HydrophobicContact CD1-CB 4.19Å; Y403-L466 HydrophobicContact CD1-CD1 3.74Å; Y403-L466 HydrophobicContact CE1-CD1 3.74Å; Y403-S470 WeakPolarHBondContact OH-CA 3.43Å; Y403-S470 PolarHBondContact OH-OG 2.88Å; Y403-L655 HydrophobicContact CD1-CD1 3.41Å; Y403-L655 VanDerWaalsContact CD1-CD1 3.41Å; Y403-L655 HydrophobicContact CD1-CG 3.86Å; Y403-L655 HydrophobicContact CD2-CD1 4.3Å; Y403-L655 HydrophobicContact CD2-CG 3.83Å; Y403-L655 HydrophobicContact CE1-CD1 3.4Å; Y403-L655 HydrophobicContact CE1-CG 3.95Å; Y403-L655 HydrophobicContact CE2-CB 4.36Å; Y403-L655 HydrophobicContact CE2-CD1 4.3Å; Y403-L655 HydrophobicContact CE2-CG 3.92Å; Y403-L655 HydrophobicContact CG-CD1 3.87Å; Y403-L655 HydrophobicContact CG-CD2 4.44Å; Y403-L655 HydrophobicContact CG-CG 3.78Å
404	I	66.8	Low	62.3	Low	101 Å²	101	70.4 Å²	70.4	52%	0.518	39%	0.39	S	S	.	.			trans	-81.9	153.9	178.9	-56.8	173.6	0	0	0	107.9	Q406 D407 V408	I404-Q406 HydrophobicContact CG2-CB 4.47Å; I404-Q406 PolarHBondContact O-N 3.12Å; I404-D407 PolarHBondContact N-OD2 3Å; I404-D407 WeakPolarHBondContact O-CA 3.37Å; I404-D407 VanDerWaalsContact O-CB 3.27Å; I404-D407 WeakPolarHBondContact O-CB 3.45Å; I404-D407 PolarHBondContact O-N 2.55Å; I404-V408 PolarHBondContact O-N 2.94Å
405	P	64.6	Low	64.1	Low	60 Å²	60	66.9 Å²	66.9	39%	0.39	37%	0.367	S	S	.	.	H	α-helix	trans	-50.4	-29.8	175.3	-32.8	37.1	0	0	0	115.2	E390 D407 V408 V409	E390-P405 VanDerWaalsContact OE2-CG 3.26Å; E390-P405 WeakPolarHBondContact OE2-CG 3.4Å; P405-D407 VanDerWaalsContact C-N 3.31Å; P405-D407 PolarHBondContact O-N 3.46Å; P405-V408 PolarHBondContact O-N 3.4Å; P405-V409 PolarHBondContact O-N 3.26Å
406	Q	70.7	Confident	66	Low	140 Å²	140	64.9 Å²	64.9	65%	0.654	36%	0.356	S	S	*	.	H	α-helix	trans	-63.2	-33.5	171.8	-102.2	178	-8.4	0	0	113.4	I404 V408 R410	I404-Q406 HydrophobicContact CG2-CB 4.47Å; I404-Q406 PolarHBondContact O-N 3.12Å; Q406-V408 VanDerWaalsContact C-N 3.35Å; Q406-R410 VanDerWaalsContact O-CB 3.23Å; Q406-R410 WeakPolarHBondContact O-CB 3.41Å; Q406-R410 PolarHBondContact O-N 3.29Å
407	D	79.6	Confident	68.3	Low	25 Å²	25	65 Å²	65	13%	0.134	35%	0.347	C	S	.	.	H	α-helix	trans	-71.1	-31.9	177.3	-63	-37.5	0	0	0	111.6	Y403 I404 P405 R410 A411 L466	Y403-D407 HydrophobicContact CD1-CB 4.19Å; I404-D407 PolarHBondContact N-OD2 3Å; I404-D407 WeakPolarHBondContact O-CA 3.37Å; I404-D407 VanDerWaalsContact O-CB 3.27Å; I404-D407 WeakPolarHBondContact O-CB 3.45Å; I404-D407 PolarHBondContact O-N 2.55Å; P405-D407 VanDerWaalsContact C-N 3.31Å; P405-D407 PolarHBondContact O-N 3.46Å; D407-R410 IonicContact OD1-NH1 3.3Å; D407-R410 PolarHBondContact OD1-NH1 2.77Å; D407-A411 WeakPolarHBondContact O-CB 3.33Å; D407-A411 PolarHBondContact O-N 2.64Å; D407-L466 HydrophobicContact CB-CD1 3.76Å; D407-L466 HydrophobicContact CB-CD2 3.98Å
408	V	75.8	Confident	71	Confident	14 Å²	14	62.5 Å²	62.5	9%	0.085	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-45	174.7	178	0	0	0	0	111.2	I404 P405 Q406 A411 K412 L655 L656 D659	I404-V408 PolarHBondContact O-N 2.94Å; P405-V408 PolarHBondContact O-N 3.4Å; Q406-V408 VanDerWaalsContact C-N 3.35Å; V408-A411 PolarHBondContact O-N 3.27Å; V408-K412 PolarHBondContact O-N 3.45Å; V408-L655 HydrophobicContact CG2-CD2 4.38Å; V408-L656 HydrophobicContact CG1-CD2 3.76Å; V408-D659 HydrophobicContact CG2-CB 3.84Å
409	V	79.3	Confident	73.7	Confident	83 Å²	83	64.3 Å²	64.3	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-49.1	175.1	177.1	0	0	0	0	109.9	P405 A411 K412 E413	P405-V409 PolarHBondContact O-N 3.26Å; V409-A411 VanDerWaalsContact C-N 3.29Å; V409-A411 PolarHBondContact O-N 3.27Å; V409-K412 PolarHBondContact O-N 2.97Å; V409-E413 WeakPolarHBondContact O-CG 3.41Å; V409-E413 PolarHBondContact O-N 3.49Å
410	R	83.9	Confident	76.3	Confident	110 Å²	110	62.6 Å²	62.6	42%	0.415	33%	0.326	S	S	.	.	H	α-helix	trans	-60.4	-37.3	178.2	-169.6	-175.4	-68.1	144.5	-3.7	112.1	Q406 D407 E413 I414 L466	Q406-R410 VanDerWaalsContact O-CB 3.23Å; Q406-R410 WeakPolarHBondContact O-CB 3.41Å; Q406-R410 PolarHBondContact O-N 3.29Å; D407-R410 IonicContact OD1-NH1 3.3Å; D407-R410 PolarHBondContact OD1-NH1 2.77Å; R410-E413 PolarHBondContact O-N 3.19Å; R410-I414 HydrophobicContact CG-CD1 3.87Å; R410-I414 HydrophobicContact CG-CG1 4.32Å; R410-I414 WeakPolarHBondContact O-CB 3.4Å; R410-I414 WeakPolarHBondContact O-CG1 3.44Å; R410-I414 PolarHBondContact O-N 3.2Å; R410-L466 HydrophobicContact CB-CD2 4.01Å; R410-L466 HydrophobicContact CG-CD2 4.04Å
411	A	85.5	Confident	78.8	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-43.9	177.2	0	0	0	0	0	112.1	D407 V408 V409 I414 I415 M652 L655 L656	D407-A411 WeakPolarHBondContact O-CB 3.33Å; D407-A411 PolarHBondContact O-N 2.64Å; V408-A411 PolarHBondContact O-N 3.27Å; V409-A411 VanDerWaalsContact C-N 3.29Å; V409-A411 PolarHBondContact O-N 3.27Å; A411-I414 PolarHBondContact O-N 2.88Å; A411-I415 WeakPolarHBondContact O-CG1 3.25Å; A411-I415 PolarHBondContact O-N 2.84Å; A411-M652 VanDerWaalsContact CA-SD 3.56Å; A411-M652 HydrophobicContact CB-SD 3.5Å; A411-M652 VanDerWaalsContact CB-SD 3.5Å; A411-L655 HydrophobicContact CB-CD1 4.26Å; A411-L655 HydrophobicContact CB-CD2 3.94Å; A411-L656 HydrophobicContact CB-CD2 4.12Å; A411-L656 HydrophobicContact CB-CG 4.37Å
412	K	84.6	Confident	80.8	Confident	118 Å²	118	60.3 Å²	60.3	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-42	174.3	-67.9	-180	179.8	-176.7	0	111.7	V408 V409 I415 A416 L656	V408-K412 PolarHBondContact O-N 3.45Å; V409-K412 PolarHBondContact O-N 2.97Å; K412-I415 PolarHBondContact O-N 2.84Å; K412-A416 PolarHBondContact O-N 3.44Å; K412-L656 HydrophobicContact CG-CD1 4.13Å; K412-L656 HydrophobicContact CG-CD2 4.09Å
413	E	86.2	Confident	82.6	Confident	101 Å²	101	59.9 Å²	59.9	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-44.9	175.9	-70.3	172.3	172.8	0	0	112.1	V409 R410 A416 Q417	V409-E413 WeakPolarHBondContact O-CG 3.41Å; V409-E413 PolarHBondContact O-N 3.49Å; R410-E413 PolarHBondContact O-N 3.19Å; E413-A416 PolarHBondContact O-N 2.9Å; E413-Q417 WeakPolarHBondContact O-CB 3.27Å; E413-Q417 VanDerWaalsContact O-CG 3.29Å; E413-Q417 WeakPolarHBondContact O-CG 3.42Å; E413-Q417 PolarHBondContact O-N 2.93Å
414	I	88.3	Confident	84	Confident	10 Å²	10	61.6 Å²	61.6	5%	0.051	32%	0.321	C	S	.	.	H	α-helix	trans	-60	-47.7	176.8	-72.2	165.2	0	0	0	110.3	R410 A411 A416 Q417 I418 V461 L466 M652	R410-I414 HydrophobicContact CG-CD1 3.87Å; R410-I414 HydrophobicContact CG-CG1 4.32Å; R410-I414 WeakPolarHBondContact O-CB 3.4Å; R410-I414 WeakPolarHBondContact O-CG1 3.44Å; R410-I414 PolarHBondContact O-N 3.2Å; A411-I414 PolarHBondContact O-N 2.88Å; I414-A416 VanDerWaalsContact C-N 3.32Å; I414-A416 PolarHBondContact O-N 3.49Å; I414-Q417 PolarHBondContact O-N 3.42Å; I414-I418 HydrophobicContact CG2-CD1 3.53Å; I414-I418 HydrophobicContact CG2-CG1 4.22Å; I414-I418 WeakPolarHBondContact O-CB 3.2Å; I414-I418 VanDerWaalsContact O-CG1 3.23Å; I414-I418 WeakPolarHBondContact O-CG1 3.44Å; I414-I418 PolarHBondContact O-N 3.06Å; I414-V461 HydrophobicContact CG2-CG1 4.35Å; I414-L466 HydrophobicContact CD1-CD2 4.3Å; I414-M652 HydrophobicContact CB-SD 4.45Å; I414-M652 HydrophobicContact CD1-SD 4.23Å; I414-M652 HydrophobicContact CG2-CG 4.1Å; I414-M652 HydrophobicContact CG2-SD 4.39Å
415	I	87.6	Confident	85.3	Confident	19 Å²	19	56.8 Å²	56.8	10%	0.097	30%	0.296	C	S	.	.	H	α-helix	trans	-57.2	-47.2	176.7	-68.9	166.9	0	0	0	110.6	A411 K412 I418 N419 K649 M652 V653 L656	A411-I415 WeakPolarHBondContact O-CG1 3.25Å; A411-I415 PolarHBondContact O-N 2.84Å; K412-I415 PolarHBondContact O-N 2.84Å; I415-I418 PolarHBondContact O-N 3.47Å; I415-N419 WeakPolarHBondContact O-CB 3.19Å; I415-N419 PolarHBondContact O-N 3.41Å; I415-N419 PolarHBondContact O-ND2 3.05Å; I415-K649 HydrophobicContact CG2-CG 4.48Å; I415-M652 HydrophobicContact CD1-CB 3.6Å; I415-M652 HydrophobicContact CG1-CB 3.55Å; I415-M652 HydrophobicContact CG1-CG 4.14Å; I415-V653 HydrophobicContact CD1-CG2 4.29Å; I415-L656 HydrophobicContact CD1-CD1 3.8Å
416	A	85.9	Confident	86.6	Confident	53 Å²	53	56 Å²	56	44%	0.438	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-42.9	-179.3	0	0	0	0	0	112.5	K412 E413 I414 T420	K412-A416 PolarHBondContact O-N 3.44Å; E413-A416 PolarHBondContact O-N 2.9Å; I414-A416 VanDerWaalsContact C-N 3.32Å; I414-A416 PolarHBondContact O-N 3.49Å; A416-T420 WeakPolarHBondContact O-CB 3.38Å; A416-T420 PolarHBondContact O-N 3.24Å; A416-T420 PolarHBondContact O-OG1 3.36Å
417	Q	88.6	Confident	87.7	Confident	90 Å²	90	54.7 Å²	54.7	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-65.1	-45.1	176.9	-72.8	176.6	14.9	0	0	111.5	E413 I414 T420 L421 V461	E413-Q417 WeakPolarHBondContact O-CB 3.27Å; E413-Q417 VanDerWaalsContact O-CG 3.29Å; E413-Q417 WeakPolarHBondContact O-CG 3.42Å; E413-Q417 PolarHBondContact O-N 2.93Å; I414-Q417 PolarHBondContact O-N 3.42Å; Q417-T420 PolarHBondContact O-N 3.28Å; Q417-L421 WeakPolarHBondContact O-CB 3.28Å; Q417-L421 WeakPolarHBondContact O-CG 3.21Å; Q417-L421 PolarHBondContact O-N 3.24Å; Q417-V461 HydrophobicContact CB-CG1 4.09Å; Q417-V461 HydrophobicContact CB-CG2 4.49Å
418	I	90.7	Very high	88.4	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-48.3	176.8	-71.8	174	0	0	0	110.5	I414 I415 T420 L421 K422 L458 V461 A648	I414-I418 HydrophobicContact CG2-CD1 3.53Å; I414-I418 HydrophobicContact CG2-CG1 4.22Å; I414-I418 WeakPolarHBondContact O-CB 3.2Å; I414-I418 VanDerWaalsContact O-CG1 3.23Å; I414-I418 WeakPolarHBondContact O-CG1 3.44Å; I414-I418 PolarHBondContact O-N 3.06Å; I415-I418 PolarHBondContact O-N 3.47Å; I418-T420 VanDerWaalsContact C-N 3.32Å; I418-T420 PolarHBondContact O-N 2.97Å; I418-L421 PolarHBondContact O-N 3.21Å; I418-K422 WeakPolarHBondContact O-CB 3.28Å; I418-K422 PolarHBondContact O-N 3.24Å; I418-L458 HydrophobicContact CB-CD1 4.38Å; I418-L458 HydrophobicContact CG1-CD1 4.18Å; I418-L458 HydrophobicContact CG2-CD1 4.33Å; I418-V461 HydrophobicContact CG1-CG1 4.1Å; I418-A648 HydrophobicContact CD1-CB 3.58Å
419	N	88.8	Confident	89.2	Confident	61 Å²	61	55.1 Å²	55.1	33%	0.326	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-40.5	179.1	-75.4	-25.5	0	0	0	112.4	I415 S423	I415-N419 WeakPolarHBondContact O-CB 3.19Å; I415-N419 PolarHBondContact O-N 3.41Å; I415-N419 PolarHBondContact O-ND2 3.05Å; N419-S423 WeakPolarHBondContact O-CB 3.3Å; N419-S423 PolarHBondContact O-N 3.41Å; N419-S423 VanDerWaalsContact O-N 3.16Å; N419-S423 PolarHBondContact O-OG 3.35Å
420	T	89.3	Confident	89.8	Confident	77 Å²	77	56.2 Å²	56.2	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-51.5	178.1	-58.7	0	0	0	0	110.9	A416 Q417 I418 S423 Q424	A416-T420 WeakPolarHBondContact O-CB 3.38Å; A416-T420 PolarHBondContact O-N 3.24Å; A416-T420 PolarHBondContact O-OG1 3.36Å; Q417-T420 PolarHBondContact O-N 3.28Å; I418-T420 VanDerWaalsContact C-N 3.32Å; I418-T420 PolarHBondContact O-N 2.97Å; T420-S423 PolarHBondContact O-N 3.39Å; T420-Q424 WeakPolarHBondContact O-CG 3.34Å; T420-Q424 PolarHBondContact O-N 2.98Å
421	L	91.6	Very high	90.2	Very high	15 Å²	15	55 Å²	55	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-67.1	-41.2	-177.9	-73.8	167.3	0	0	0	111.7	Q417 I418 S423 Q424 V425 K454 Q457 L458 V461	Q417-L421 WeakPolarHBondContact O-CB 3.28Å; Q417-L421 WeakPolarHBondContact O-CG 3.21Å; Q417-L421 PolarHBondContact O-N 3.24Å; I418-L421 PolarHBondContact O-N 3.21Å; L421-S423 VanDerWaalsContact C-N 3.33Å; L421-S423 PolarHBondContact O-N 3.36Å; L421-Q424 PolarHBondContact O-N 2.8Å; L421-V425 WeakPolarHBondContact O-CB 3.39Å; L421-V425 VanDerWaalsContact O-CG2 3.26Å; L421-V425 WeakPolarHBondContact O-CG2 3.42Å; L421-V425 PolarHBondContact O-N 3.48Å; L421-K454 HydrophobicContact CD2-CD 4.32Å; L421-Q457 HydrophobicContact CD1-CB 4.32Å; L421-Q457 HydrophobicContact CD2-CB 4.01Å; L421-L458 HydrophobicContact CB-CB 4.08Å; L421-L458 HydrophobicContact CB-CD1 3.81Å; L421-L458 HydrophobicContact CB-CG 4.42Å; L421-L458 HydrophobicContact CD1-CB 4.29Å; L421-L458 HydrophobicContact CD1-CD1 4.37Å; L421-V461 HydrophobicContact CD1-CG2 4.01Å
422	K	92.8	Very high	90.5	Very high	69 Å²	69	55 Å²	55	30%	0.3	28%	0.276	S	S	.	.	H	α-helix	trans	-52.7	-51	171.6	177	-177.2	178.9	176.7	0	111	I418 Q424 V425 S426 V641	I418-K422 WeakPolarHBondContact O-CB 3.28Å; I418-K422 PolarHBondContact O-N 3.24Å; K422-Q424 PolarHBondContact O-N 2.69Å; K422-V425 PolarHBondContact O-N 2.92Å; K422-S426 PolarHBondContact O-N 3.05Å; K422-S426 PolarHBondContact O-OG 3.19Å; K422-V641 HydrophobicContact CB-CG1 4.47Å; K422-V641 HydrophobicContact CG-CG1 4.18Å
423	S	91.4	Very high	90.9	Very high	79 Å²	79	50.1 Å²	50.1	55%	0.552	26%	0.257	S	S	*	.	H	α-helix	trans	-63.4	-40.8	180	-56.4	0	0	0	0	112.1	N419 T420 L421 Y427	N419-S423 WeakPolarHBondContact O-CB 3.3Å; N419-S423 PolarHBondContact O-N 3.41Å; N419-S423 VanDerWaalsContact O-N 3.16Å; N419-S423 PolarHBondContact O-OG 3.35Å; T420-S423 PolarHBondContact O-N 3.39Å; L421-S423 VanDerWaalsContact C-N 3.33Å; L421-S423 PolarHBondContact O-N 3.36Å; S423-Y427 WeakPolarHBondContact O-CB 3.45Å; S423-Y427 PolarHBondContact O-N 3.46Å
424	Q	92.5	Very high	91	Very high	67 Å²	67	50.3 Å²	50.3	31%	0.313	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-45	175.8	-72.1	177.5	2.9	0	0	111.8	T420 L421 K422 Y427 Y428 K454	T420-Q424 WeakPolarHBondContact O-CG 3.34Å; T420-Q424 PolarHBondContact O-N 2.98Å; L421-Q424 PolarHBondContact O-N 2.8Å; K422-Q424 PolarHBondContact O-N 2.69Å; Q424-Y427 PolarHBondContact O-N 3Å; Q424-Y428 HydrophobicContact CB-CD2 4.46Å; Q424-Y428 HydrophobicContact CB-CE2 4.49Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.38Å; Q424-Y428 PolarHBondContact O-N 2.9Å; Q424-K454 HydrophobicContact CB-CG 4.44Å
425	V	93.2	Very high	91.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-47.2	178	170.9	0	0	0	0	110.6	L421 K422 Y427 Y428 A429 L451 K454 L637 V641	L421-V425 WeakPolarHBondContact O-CB 3.39Å; L421-V425 VanDerWaalsContact O-CG2 3.26Å; L421-V425 WeakPolarHBondContact O-CG2 3.42Å; L421-V425 PolarHBondContact O-N 3.48Å; K422-V425 PolarHBondContact O-N 2.92Å; V425-Y427 VanDerWaalsContact C-N 3.35Å; V425-Y427 PolarHBondContact O-N 2.72Å; V425-Y428 PolarHBondContact O-N 2.97Å; V425-A429 VanDerWaalsContact O-CB 3.31Å; V425-A429 WeakPolarHBondContact O-CB 3.4Å; V425-A429 PolarHBondContact O-N 3.39Å; V425-L451 HydrophobicContact CB-CD1 4.47Å; V425-L451 HydrophobicContact CG1-CD1 3.89Å; V425-L451 WeakPolarHBondContact O-CD1 3.48Å; V425-K454 HydrophobicContact CG2-CB 3.93Å; V425-L637 HydrophobicContact CG1-CD2 4.45Å; V425-V641 HydrophobicContact CG1-CG1 4.34Å; V425-V641 HydrophobicContact CG1-CG2 4.07Å
426	S	92.1	Very high	91.1	Very high	44 Å²	44	49.4 Å²	49.4	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-59.5	-43.3	175.3	-61.9	0	0	0	0	112.4	K422 A429 E430	K422-S426 PolarHBondContact O-N 3.05Å; K422-S426 PolarHBondContact O-OG 3.19Å; S426-A429 PolarHBondContact O-N 3.02Å; S426-E430 PolarHBondContact O-N 3.16Å
427	Y	93.7	Very high	91.1	Very high	112 Å²	112	52.7 Å²	52.7	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-44.3	177.2	171	-101.3	0	0	0	112.7	S423 Q424 V425 E430 R431	S423-Y427 WeakPolarHBondContact O-CB 3.45Å; S423-Y427 PolarHBondContact O-N 3.46Å; Q424-Y427 PolarHBondContact O-N 3Å; V425-Y427 VanDerWaalsContact C-N 3.35Å; V425-Y427 PolarHBondContact O-N 2.72Å; Y427-E430 PolarHBondContact O-N 2.65Å; Y427-R431 HydrophobicContact CE1-CG 4.31Å; Y427-R431 HydrophobicContact CE2-CG 4.38Å; Y427-R431 WeakPolarHBondContact O-CG 3.49Å; Y427-R431 PolarHBondContact O-N 2.97Å; Y427-R431 WeakPolarHBondContact OH-CD 3.45Å; Y427-R431 PolarHBondContact OH-NH1 3.23Å; Y427-R431 VanDerWaalsContact OH-NH1 3.14Å
428	Y	94.9	Very high	91	Very high	45 Å²	45	54.5 Å²	54.5	18%	0.176	27%	0.267	C	S	.	.	H	α-helix	trans	-73.5	-31.1	178.7	-74.4	-64.6	0	0	0	112.6	Q424 V425 R431 L432 T447 I450 K454	Q424-Y428 HydrophobicContact CB-CD2 4.46Å; Q424-Y428 HydrophobicContact CB-CE2 4.49Å; Q424-Y428 WeakPolarHBondContact O-CD2 3.38Å; Q424-Y428 PolarHBondContact O-N 2.9Å; V425-Y428 PolarHBondContact O-N 2.97Å; Y428-R431 PolarHBondContact O-N 3.42Å; Y428-L432 WeakPolarHBondContact O-CB 3.4Å; Y428-L432 PolarHBondContact O-N 3.27Å; Y428-T447 HydrophobicContact CD1-CG2 4.24Å; Y428-T447 WeakPolarHBondContact O-CG2 3.45Å; Y428-I450 HydrophobicContact CD1-CB 4.31Å; Y428-I450 HydrophobicContact CD1-CG2 3.94Å; Y428-I450 HydrophobicContact CD2-CG2 3.83Å; Y428-I450 HydrophobicContact CE1-CB 4.21Å; Y428-I450 HydrophobicContact CE1-CD1 4.16Å; Y428-I450 HydrophobicContact CE1-CG2 3.6Å; Y428-I450 HydrophobicContact CE2-CG2 3.5Å; Y428-I450 VanDerWaalsContact CE2-CG2 3.5Å; Y428-I450 HydrophobicContact CG-CG2 4.06Å; Y428-K454 HydrophobicContact CD2-CG 4.28Å; Y428-K454 HydrophobicContact CE2-CG 4.32Å
429	A	92.6	Very high	90.7	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-44.4	170.9	0	0	0	0	0	111	V425 S426 L432 S433 L451 L634	V425-A429 VanDerWaalsContact O-CB 3.31Å; V425-A429 WeakPolarHBondContact O-CB 3.4Å; V425-A429 PolarHBondContact O-N 3.39Å; S426-A429 PolarHBondContact O-N 3.02Å; A429-L432 PolarHBondContact O-N 3.28Å; A429-S433 PolarHBondContact O-N 3.13Å; A429-L451 HydrophobicContact CB-CD1 4.34Å; A429-L634 HydrophobicContact CB-CD2 4.02Å
430	E	92.5	Very high	90.6	Very high	105 Å²	105	57.5 Å²	57.5	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-66.2	-40	176	-158.4	-168.2	164.9	0	0	111.9	S426 Y427 L432 S433 R434	S426-E430 PolarHBondContact O-N 3.16Å; Y427-E430 PolarHBondContact O-N 2.65Å; E430-L432 VanDerWaalsContact C-N 3.33Å; E430-L432 PolarHBondContact O-N 2.81Å; E430-S433 WeakPolarHBondContact O-CB 3.37Å; E430-S433 PolarHBondContact O-N 2.65Å; E430-R434 WeakPolarHBondContact O-CG 3.45Å; E430-R434 PolarHBondContact O-N 3.43Å; E430-R434 IonicContact OE1-CZ 3.61Å; E430-R434 IonicContact OE1-NE 3.84Å; E430-R434 IonicContact OE1-NH2 2.71Å; E430-R434 PolarHBondContact OE1-NH2 2.97Å; E430-R434 IonicContact OE2-NH2 2.97Å; E430-R434 PolarHBondContact OE2-NH2 3.45Å
431	R	91.9	Very high	90.4	Very high	84 Å²	84	55.1 Å²	55.1	32%	0.317	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-38.8	172.9	-78.5	179	61.2	169.4	-2.4	112.8	Y427 Y428 S433 R434 A435 T447	Y427-R431 HydrophobicContact CE1-CG 4.31Å; Y427-R431 HydrophobicContact CE2-CG 4.38Å; Y427-R431 WeakPolarHBondContact O-CG 3.49Å; Y427-R431 PolarHBondContact O-N 2.97Å; Y427-R431 WeakPolarHBondContact OH-CD 3.45Å; Y427-R431 PolarHBondContact OH-NH1 3.23Å; Y427-R431 VanDerWaalsContact OH-NH1 3.14Å; Y428-R431 PolarHBondContact O-N 3.42Å; R431-S433 VanDerWaalsContact C-N 3.31Å; R431-R434 PolarHBondContact O-N 3.49Å; R431-A435 PolarHBondContact O-N 2.97Å; R431-T447 HydrophobicContact CB-CG2 3.77Å
432	L	92.3	Very high	90.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-39.3	177.1	-170.1	65.4	0	0	0	110.4	Y428 A429 E430 A435 A436 L444 T447 L448 L451 I541 L634	Y428-L432 WeakPolarHBondContact O-CB 3.4Å; Y428-L432 PolarHBondContact O-N 3.27Å; A429-L432 PolarHBondContact O-N 3.28Å; E430-L432 VanDerWaalsContact C-N 3.33Å; E430-L432 PolarHBondContact O-N 2.81Å; L432-A435 PolarHBondContact O-N 3.2Å; L432-A436 WeakPolarHBondContact O-CB 3.21Å; L432-A436 PolarHBondContact O-N 3.16Å; L432-L444 HydrophobicContact CD1-CD1 3.9Å; L432-L444 HydrophobicContact CD1-CG 3.93Å; L432-L444 WeakPolarHBondContact CD1-O 3.4Å; L432-L444 HydrophobicContact CG-CD1 4.5Å; L432-T447 HydrophobicContact CB-CG2 3.94Å; L432-T447 HydrophobicContact CD1-CG2 4.24Å; L432-L448 HydrophobicContact CD1-CB 4.13Å; L432-L448 HydrophobicContact CD2-CD1 4.14Å; L432-L451 HydrophobicContact CD2-CD2 3.77Å; L432-I541 HydrophobicContact CD2-CG2 3.89Å; L432-L634 HydrophobicContact CB-CD1 4.48Å; L432-L634 HydrophobicContact CB-CD2 4.44Å; L432-L634 HydrophobicContact CD2-CD2 3.83Å
433	S	91.4	Very high	89.8	Confident	16 Å²	16	55.8 Å²	55.8	11%	0.112	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-43.6	171.8	-176.6	0	0	0	0	112.3	A429 E430 R431 A436 K437	A429-S433 PolarHBondContact O-N 3.13Å; E430-S433 WeakPolarHBondContact O-CB 3.37Å; E430-S433 PolarHBondContact O-N 2.65Å; R431-S433 VanDerWaalsContact C-N 3.31Å; S433-A436 WeakPolarHBondContact O-CB 3.35Å; S433-A436 PolarHBondContact O-N 3.44Å; S433-K437 WeakPolarHBondContact O-CG 3.33Å; S433-K437 PolarHBondContact O-N 3.04Å
434	R	90	Very high	89.7	Confident	106 Å²	106	52 Å²	52	40%	0.4	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-45.3	174.7	-65	-176.2	-153	118.4	0.5	112.1	E430 R431 A436 K437 D438	E430-R434 WeakPolarHBondContact O-CG 3.45Å; E430-R434 PolarHBondContact O-N 3.43Å; E430-R434 IonicContact OE1-CZ 3.61Å; E430-R434 IonicContact OE1-NE 3.84Å; E430-R434 IonicContact OE1-NH2 2.71Å; E430-R434 PolarHBondContact OE1-NH2 2.97Å; E430-R434 IonicContact OE2-NH2 2.97Å; E430-R434 PolarHBondContact OE2-NH2 3.45Å; R431-R434 PolarHBondContact O-N 3.49Å; R434-A436 PolarHBondContact O-N 3.26Å; R434-K437 WeakPolarHBondContact O-CB 3.48Å; R434-K437 PolarHBondContact O-N 3.42Å; R434-D438 PolarHBondContact O-N 3.29Å
435	A	89.2	Confident	89.6	Confident	10 Å²	10	52.7 Å²	52.7	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-59.7	-33.2	176.3	0	0	0	0	0	112.5	R431 L432 R439 S440 L444	R431-A435 PolarHBondContact O-N 2.97Å; L432-A435 PolarHBondContact O-N 3.2Å; A435-R439 PolarHBondContact O-N 2.99Å; A435-S440 PolarHBondContact O-N 2.84Å; A435-L444 HydrophobicContact CB-CD1 4.17Å
436	A	87.4	Confident	89.5	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.1	-40.9	173.2	0	0	0	0	0	112.7	L432 S433 R434 D438 R439 L444 W626 L630	L432-A436 WeakPolarHBondContact O-CB 3.21Å; L432-A436 PolarHBondContact O-N 3.16Å; S433-A436 WeakPolarHBondContact O-CB 3.35Å; S433-A436 PolarHBondContact O-N 3.44Å; R434-A436 PolarHBondContact O-N 3.26Å; A436-D438 VanDerWaalsContact C-N 3.33Å; A436-R439 PolarHBondContact O-N 3.38Å; A436-L444 HydrophobicContact CB-CD1 3.87Å; A436-W626 HydrophobicContact CB-CB 4.27Å; A436-W626 WeakPolarHBondContact O-CB 3.35Å; A436-L630 HydrophobicContact CB-CD1 3.72Å
437	K	87.2	Confident	89.6	Confident	121 Å²	121	59.5 Å²	59.5	53%	0.526	28%	0.28	S	S	.	.	H	α-helix	trans	-63.7	-38.7	174	-71.3	177.1	-178.1	-176.6	0	112.2	S433 R434 R439 S627	S433-K437 WeakPolarHBondContact O-CG 3.33Å; S433-K437 PolarHBondContact O-N 3.04Å; R434-K437 WeakPolarHBondContact O-CB 3.48Å; R434-K437 PolarHBondContact O-N 3.42Å; K437-R439 PolarHBondContact O-N 2.91Å; K437-S627 WeakPolarHBondContact CG-OG 3.28Å
438	D	86.1	Confident	89.6	Confident	128 Å²	128	54.8 Å²	54.8	68%	0.684	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	1.2	-179.6	-60.5	-24.1	0	0	0	113	R434 A436 S440	R434-D438 PolarHBondContact O-N 3.29Å; A436-D438 VanDerWaalsContact C-N 3.33Å; D438-S440 PolarHBondContact O-N 3.5Å
439	R	83.4	Confident	89.5	Confident	81 Å²	81	55.5 Å²	55.5	31%	0.306	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.2	41.3	-173.7	-73.9	-170.6	167.1	-166.9	-4.6	113.4	A435 A436 K437 A441 S621 S622 W626	A435-R439 PolarHBondContact O-N 2.99Å; A436-R439 PolarHBondContact O-N 3.38Å; K437-R439 PolarHBondContact O-N 2.91Å; R439-A441 PolarHBondContact O-N 2.93Å; R439-S621 PolarHBondContact NH1-O 3.22Å; R439-S621 PolarHBondContact NH1-OG 3.27Å; R439-S621 VanDerWaalsContact NH2-CB 3.34Å; R439-S621 PolarHBondContact NH2-O 3.35Å; R439-S621 PolarHBondContact NH2-OG 3.37Å; R439-S622 PolarHBondContact NH2-O 2.79Å; R439-W626 HydrophobicContact CG-CD2 4.3Å; R439-W626 HydrophobicContact CG-CG 4.49Å
440	S	86.3	Confident	89.6	Confident	44 Å²	44	58.1 Å²	58.1	31%	0.308	29%	0.29	S	S	.	.			trans	-92.1	96	-179.3	-174.3	0	0	0	0	110.9	A435 D438 T442 G443 L444	A435-S440 PolarHBondContact O-N 2.84Å; D438-S440 PolarHBondContact O-N 3.5Å; S440-T442 PolarHBondContact O-N 3.39Å; S440-G443 CarbonylContact O-C 3.59Å; S440-G443 PolarHBondContact O-N 3.11Å; S440-G443 VanDerWaalsContact O-N 3.11Å; S440-G443 PolarHBondContact OG-N 3.12Å; S440-L444 WeakPolarHBondContact O-CB 3.44Å; S440-L444 PolarHBondContact O-N 2.69Å
441	A	85.1	Confident	89.7	Confident	27 Å²	27	53.1 Å²	53.1	22%	0.223	27%	0.267	C	S	.	.	H	α-helix	trans	-51.6	-51.4	177.8	0	0	0	0	0	112.9	R439 G443 L444 E445 L549 E552	R439-A441 PolarHBondContact O-N 2.93Å; A441-G443 VanDerWaalsContact C-N 3.32Å; A441-G443 PolarHBondContact O-N 3.24Å; A441-L444 WeakPolarHBondContact O-CB 3.27Å; A441-L444 PolarHBondContact O-N 3.21Å; A441-E445 PolarHBondContact O-N 3.18Å; A441-L549 HydrophobicContact CB-CD2 3.89Å; A441-E552 WeakPolarHBondContact CB-OE2 3.49Å
442	T	86	Confident	89.8	Confident	81 Å²	81	49.3 Å²	49.3	50%	0.497	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-31.9	179.4	60.9	0	0	0	0	112.4	S440 R446	S440-T442 PolarHBondContact O-N 3.39Å; T442-R446 WeakPolarHBondContact O-CB 3.42Å; T442-R446 WeakPolarHBondContact O-CD 3.44Å; T442-R446 VanDerWaalsContact O-CG 3.25Å; T442-R446 WeakPolarHBondContact O-CG 3.32Å; T442-R446 PolarHBondContact O-N 2.93Å
443	G	86.8	Confident	90	Very high	17 Å²	17	52.4 Å²	52.4	18%	0.175	27%	0.27	C	S	.	.	H	α-helix	trans	-69	-39.2	173.1	0	0	0	0	0	112.5	S440 A441 T447	S440-G443 CarbonylContact O-C 3.59Å; S440-G443 PolarHBondContact O-N 3.11Å; S440-G443 VanDerWaalsContact O-N 3.11Å; S440-G443 PolarHBondContact OG-N 3.12Å; A441-G443 VanDerWaalsContact C-N 3.32Å; A441-G443 PolarHBondContact O-N 3.24Å; G443-T447 WeakPolarHBondContact O-CB 3.44Å; G443-T447 PolarHBondContact O-N 3.27Å; G443-T447 PolarHBondContact O-OG1 2.71Å
444	L	89.6	Confident	90.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.8	-50.6	178.4	-148.2	82.4	0	0	0	110.8	L432 A435 A436 S440 A441 T447 L448 V545 L549 W626 L630	L432-L444 HydrophobicContact CD1-CD1 3.9Å; L432-L444 HydrophobicContact CD1-CG 3.93Å; L432-L444 WeakPolarHBondContact CD1-O 3.4Å; L432-L444 HydrophobicContact CG-CD1 4.5Å; A435-L444 HydrophobicContact CB-CD1 4.17Å; A436-L444 HydrophobicContact CB-CD1 3.87Å; S440-L444 WeakPolarHBondContact O-CB 3.44Å; S440-L444 PolarHBondContact O-N 2.69Å; A441-L444 WeakPolarHBondContact O-CB 3.27Å; A441-L444 PolarHBondContact O-N 3.21Å; L444-T447 PolarHBondContact O-N 3.4Å; L444-L448 WeakPolarHBondContact O-CB 3.46Å; L444-L448 PolarHBondContact O-N 2.88Å; L444-V545 HydrophobicContact CD2-CB 4.25Å; L444-V545 HydrophobicContact CD2-CG1 3.56Å; L444-V545 HydrophobicContact CD2-CG2 4.09Å; L444-V545 HydrophobicContact CG-CG1 4.03Å; L444-V545 HydrophobicContact CG-CG2 4.37Å; L444-L549 HydrophobicContact CD2-CD2 4.29Å; L444-L549 HydrophobicContact CD2-CG 4.31Å; L444-W626 HydrophobicContact CD2-CE3 4.21Å; L444-W626 HydrophobicContact CD2-CZ3 4.05Å; L444-L630 HydrophobicContact CD1-CD1 4.07Å; L444-L630 HydrophobicContact CD2-CD1 4.46Å
445	E	89.6	Confident	90.3	Very high	81 Å²	81	48.6 Å²	48.6	38%	0.379	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-49.4	178.6	-73.9	-179.9	173.8	0	0	112	A441 A449 L549 R553	A441-E445 PolarHBondContact O-N 3.18Å; E445-A449 WeakPolarHBondContact O-CB 3.3Å; E445-A449 PolarHBondContact O-N 3.33Å; E445-L549 HydrophobicContact CG-CD1 3.37Å; E445-L549 HydrophobicContact CG-CD2 4.16Å; E445-L549 HydrophobicContact CG-CG 4.41Å; E445-R553 IonicContact OE1-CZ 3.86Å; E445-R553 IonicContact OE1-NH2 2.73Å; E445-R553 PolarHBondContact OE1-NH2 3.16Å
446	R	92	Very high	90.5	Very high	179 Å²	179	53.2 Å²	53.2	68%	0.675	27%	0.269	S	S	*	.	H	α-helix	trans	-64.3	-44.1	180	-72.5	175.3	-178	158.9	1.2	112.2	T442 I450	T442-R446 WeakPolarHBondContact O-CB 3.42Å; T442-R446 WeakPolarHBondContact O-CD 3.44Å; T442-R446 VanDerWaalsContact O-CG 3.25Å; T442-R446 WeakPolarHBondContact O-CG 3.32Å; T442-R446 PolarHBondContact O-N 2.93Å; R446-I450 WeakPolarHBondContact O-CG1 3.49Å; R446-I450 PolarHBondContact O-N 3.14Å
447	T	92.8	Very high	90.7	Very high	9 Å²	9	56.5 Å²	56.5	6%	0.055	29%	0.285	C	S	.	.	H	α-helix	trans	-71.5	-37.5	-177.7	-53.6	0	0	0	0	111.3	Y428 R431 L432 G443 L444 I450 L451	Y428-T447 HydrophobicContact CD1-CG2 4.24Å; Y428-T447 WeakPolarHBondContact O-CG2 3.45Å; R431-T447 HydrophobicContact CB-CG2 3.77Å; L432-T447 HydrophobicContact CB-CG2 3.94Å; L432-T447 HydrophobicContact CD1-CG2 4.24Å; G443-T447 WeakPolarHBondContact O-CB 3.44Å; G443-T447 PolarHBondContact O-N 3.27Å; G443-T447 PolarHBondContact O-OG1 2.71Å; L444-T447 PolarHBondContact O-N 3.4Å; T447-I450 PolarHBondContact O-N 3.35Å; T447-L451 WeakPolarHBondContact O-CB 3.45Å; T447-L451 PolarHBondContact O-N 2.77Å
448	L	94.4	Very high	90.9	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-43.8	174.7	177.4	65.2	0	0	0	111.6	L432 L444 I450 L451 A452 I541 I542 V545	L432-L448 HydrophobicContact CD1-CB 4.13Å; L432-L448 HydrophobicContact CD2-CD1 4.14Å; L444-L448 WeakPolarHBondContact O-CB 3.46Å; L444-L448 PolarHBondContact O-N 2.88Å; L448-I450 VanDerWaalsContact C-N 3.3Å; L448-I450 PolarHBondContact O-N 3.1Å; L448-L451 PolarHBondContact O-N 2.97Å; L448-A452 VanDerWaalsContact O-CB 3.28Å; L448-A452 WeakPolarHBondContact O-CB 3.4Å; L448-A452 PolarHBondContact O-N 2.92Å; L448-I541 HydrophobicContact CD1-CG2 3.81Å; L448-I542 HydrophobicContact CD1-CG1 3.97Å; L448-I542 HydrophobicContact CD2-CG1 4.27Å; L448-I542 HydrophobicContact CG-CG1 4.37Å; L448-V545 HydrophobicContact CD2-CB 3.72Å; L448-V545 HydrophobicContact CD2-CG1 3.5Å; L448-V545 VanDerWaalsContact CD2-CG1 3.5Å; L448-V545 HydrophobicContact CD2-CG2 4.14Å
449	A	93.7	Very high	91.1	Very high	61 Å²	61	45.3 Å²	45.3	50%	0.504	23%	0.231	S	C	.	.	H	α-helix	trans	-58.7	-43.3	178.5	0	0	0	0	0	111.8	E445 D453	E445-A449 WeakPolarHBondContact O-CB 3.3Å; E445-A449 PolarHBondContact O-N 3.33Å; A449-D453 WeakPolarHBondContact O-CB 3.41Å; A449-D453 PolarHBondContact O-N 2.8Å
450	I	94.3	Very high	91.3	Very high	59 Å²	59	46.3 Å²	46.3	30%	0.303	25%	0.247	S	C	.	.	H	α-helix	trans	-69.6	-44	177.6	-58.1	165.1	0	0	0	111.1	Y428 R446 T447 L448 A452 D453 K454	Y428-I450 HydrophobicContact CD1-CB 4.31Å; Y428-I450 HydrophobicContact CD1-CG2 3.94Å; Y428-I450 HydrophobicContact CD2-CG2 3.83Å; Y428-I450 HydrophobicContact CE1-CB 4.21Å; Y428-I450 HydrophobicContact CE1-CD1 4.16Å; Y428-I450 HydrophobicContact CE1-CG2 3.6Å; Y428-I450 HydrophobicContact CE2-CG2 3.5Å; Y428-I450 VanDerWaalsContact CE2-CG2 3.5Å; Y428-I450 HydrophobicContact CG-CG2 4.06Å; R446-I450 WeakPolarHBondContact O-CG1 3.49Å; R446-I450 PolarHBondContact O-N 3.14Å; T447-I450 PolarHBondContact O-N 3.35Å; L448-I450 VanDerWaalsContact C-N 3.3Å; L448-I450 PolarHBondContact O-N 3.1Å; I450-A452 VanDerWaalsContact C-N 3.31Å; I450-A452 PolarHBondContact O-N 3.31Å; I450-D453 PolarHBondContact O-N 3.42Å; I450-K454 HydrophobicContact CG2-CG 4.34Å; I450-K454 WeakPolarHBondContact O-CG 3.14Å; I450-K454 PolarHBondContact O-N 3.27Å
451	L	94.8	Very high	91.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57	-46.9	176.2	178.8	62.2	0	0	0	110.8	V425 A429 L432 T447 L448 K454 T455 L634 L637	V425-L451 HydrophobicContact CB-CD1 4.47Å; V425-L451 HydrophobicContact CG1-CD1 3.89Å; V425-L451 WeakPolarHBondContact O-CD1 3.48Å; A429-L451 HydrophobicContact CB-CD1 4.34Å; L432-L451 HydrophobicContact CD2-CD2 3.77Å; T447-L451 WeakPolarHBondContact O-CB 3.45Å; T447-L451 PolarHBondContact O-N 2.77Å; L448-L451 PolarHBondContact O-N 2.97Å; L451-K454 PolarHBondContact O-N 3.13Å; L451-T455 WeakPolarHBondContact O-CB 3.41Å; L451-T455 PolarHBondContact O-N 3.49Å; L451-T455 PolarHBondContact O-OG1 3.41Å; L451-L634 HydrophobicContact CD2-CD2 4.15Å; L451-L637 HydrophobicContact CD1-CD2 4.21Å; L451-L637 HydrophobicContact CD2-CD2 4.09Å; L451-L637 HydrophobicContact CG-CD2 4.33Å
452	A	94.3	Very high	91.5	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-39.9	-179.7	0	0	0	0	0	112.6	L448 I450 R456 L538 I542	L448-A452 VanDerWaalsContact O-CB 3.28Å; L448-A452 WeakPolarHBondContact O-CB 3.4Å; L448-A452 PolarHBondContact O-N 2.92Å; I450-A452 VanDerWaalsContact C-N 3.31Å; I450-A452 PolarHBondContact O-N 3.31Å; A452-R456 WeakPolarHBondContact O-CB 3.36Å; A452-R456 WeakPolarHBondContact O-CG 3.07Å; A452-R456 PolarHBondContact O-N 3.34Å; A452-R456 PolarHBondContact O-NE 3.05Å; A452-L538 HydrophobicContact CB-CD1 3.98Å; A452-L538 HydrophobicContact CB-CD2 4.06Å; A452-L538 HydrophobicContact CB-CG 4.42Å; A452-I542 HydrophobicContact CB-CD1 4.28Å
453	D	95	Very high	91.4	Very high	66 Å²	66	45.1 Å²	45.1	35%	0.353	23%	0.231	S	C	.	.	H	α-helix	trans	-58.8	-49.7	171.7	177.9	62.1	0	0	0	111.8	A449 I450 R456 Q457	A449-D453 WeakPolarHBondContact O-CB 3.41Å; A449-D453 PolarHBondContact O-N 2.8Å; I450-D453 PolarHBondContact O-N 3.42Å; D453-R456 PolarHBondContact O-N 2.88Å; D453-Q457 WeakPolarHBondContact O-CG 3.43Å; D453-Q457 PolarHBondContact O-N 3.06Å; D453-Q457 PolarHBondContact OD1-NE2 3.22Å; D453-Q457 PolarHBondContact OD2-NE2 3.48Å
454	K	94.7	Very high	91.3	Very high	42 Å²	42	45.9 Å²	45.9	18%	0.183	23%	0.233	C	C	.	.	H	α-helix	trans	-67.8	-38.9	-178.4	-63.5	-41.3	178.6	-151.6	0	113.3	L421 Q424 V425 Y428 I450 L451 Q457 L458	L421-K454 HydrophobicContact CD2-CD 4.32Å; Q424-K454 HydrophobicContact CB-CG 4.44Å; V425-K454 HydrophobicContact CG2-CB 3.93Å; Y428-K454 HydrophobicContact CD2-CG 4.28Å; Y428-K454 HydrophobicContact CE2-CG 4.32Å; I450-K454 HydrophobicContact CG2-CG 4.34Å; I450-K454 WeakPolarHBondContact O-CG 3.14Å; I450-K454 PolarHBondContact O-N 3.27Å; L451-K454 PolarHBondContact O-N 3.13Å; K454-Q457 PolarHBondContact O-N 3.02Å; K454-L458 PolarHBondContact O-N 3.4Å
455	T	93.1	Very high	91	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-42.5	175.8	-59.9	0	0	0	0	111.4	L451 L458 V459 V534 L538 L637	L451-T455 WeakPolarHBondContact O-CB 3.41Å; L451-T455 PolarHBondContact O-N 3.49Å; L451-T455 PolarHBondContact O-OG1 3.41Å; T455-L458 WeakPolarHBondContact O-CB 3.44Å; T455-L458 PolarHBondContact O-N 2.69Å; T455-V459 WeakPolarHBondContact O-CG2 3.09Å; T455-V459 PolarHBondContact O-N 3.15Å; T455-V459 VanDerWaalsContact O-N 3.07Å; T455-V534 HydrophobicContact CG2-CG1 3.5Å; T455-V534 VanDerWaalsContact CG2-CG1 3.5Å; T455-L538 HydrophobicContact CG2-CB 4.19Å; T455-L538 HydrophobicContact CG2-CD2 3.93Å; T455-L538 HydrophobicContact CG2-CG 4.44Å; T455-L637 HydrophobicContact CG2-CD1 4.06Å
456	R	93.6	Very high	90.7	Very high	106 Å²	106	51.2 Å²	51.2	40%	0.4	26%	0.256	S	S	.	.	H	α-helix	trans	-67.4	-37.8	176	-76.8	-173.6	-74.4	-98.3	1.3	113.2	A452 D453 L458 V459 T460 L538	A452-R456 WeakPolarHBondContact O-CB 3.36Å; A452-R456 WeakPolarHBondContact O-CG 3.07Å; A452-R456 PolarHBondContact O-N 3.34Å; A452-R456 PolarHBondContact O-NE 3.05Å; D453-R456 PolarHBondContact O-N 2.88Å; R456-L458 VanDerWaalsContact C-N 3.3Å; R456-L458 PolarHBondContact O-N 3.11Å; R456-V459 PolarHBondContact O-N 3.09Å; R456-T460 PolarHBondContact O-N 3.25Å; R456-T460 PolarHBondContact O-OG1 3.46Å; R456-L538 HydrophobicContact CG-CD2 4.22Å
457	Q	92	Very high	90.5	Very high	69 Å²	69	42.7 Å²	42.7	32%	0.322	22%	0.223	S	C	.	.	H	α-helix	trans	-58.7	-43.2	171.6	-78.1	166.3	19.5	0	0	111.2	L421 D453 K454 T460 V461	L421-Q457 HydrophobicContact CD1-CB 4.32Å; L421-Q457 HydrophobicContact CD2-CB 4.01Å; D453-Q457 WeakPolarHBondContact O-CG 3.43Å; D453-Q457 PolarHBondContact O-N 3.06Å; D453-Q457 PolarHBondContact OD1-NE2 3.22Å; D453-Q457 PolarHBondContact OD2-NE2 3.48Å; K454-Q457 PolarHBondContact O-N 3.02Å; Q457-T460 WeakPolarHBondContact O-CB 3.41Å; Q457-T460 PolarHBondContact O-N 3.02Å; Q457-V461 WeakPolarHBondContact O-CG2 3.47Å; Q457-V461 PolarHBondContact O-N 3.23Å
458	L	91.1	Very high	90.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.7	-46.5	177.2	-179.3	65	0	0	0	112.1	I418 L421 K454 T455 R456 T460 V461 C462 V641 M644	I418-L458 HydrophobicContact CB-CD1 4.38Å; I418-L458 HydrophobicContact CG1-CD1 4.18Å; I418-L458 HydrophobicContact CG2-CD1 4.33Å; L421-L458 HydrophobicContact CB-CB 4.08Å; L421-L458 HydrophobicContact CB-CD1 3.81Å; L421-L458 HydrophobicContact CB-CG 4.42Å; L421-L458 HydrophobicContact CD1-CB 4.29Å; L421-L458 HydrophobicContact CD1-CD1 4.37Å; K454-L458 PolarHBondContact O-N 3.4Å; T455-L458 WeakPolarHBondContact O-CB 3.44Å; T455-L458 PolarHBondContact O-N 2.69Å; R456-L458 VanDerWaalsContact C-N 3.3Å; R456-L458 PolarHBondContact O-N 3.11Å; L458-T460 VanDerWaalsContact C-N 3.28Å; L458-T460 PolarHBondContact O-N 3.38Å; L458-V461 PolarHBondContact O-N 2.97Å; L458-C462 WeakPolarHBondContact O-CB 3.47Å; L458-C462 PolarHBondContact O-N 2.83Å; L458-C462 PolarHBondContact O-SG 2.65Å; L458-V641 HydrophobicContact CD2-CG1 3.67Å; L458-V641 HydrophobicContact CD2-CG2 4.28Å; L458-M644 HydrophobicContact CD1-CE 4.29Å; L458-M644 HydrophobicContact CD2-CE 3.34Å; L458-M644 HydrophobicContact CG-CE 3.43Å; L458-M644 VanDerWaalsContact CG-CE 3.43Å
459	V	89.8	Confident	89.6	Confident	14 Å²	14	47.7 Å²	47.7	9%	0.085	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-41.9	176.1	173.1	0	0	0	0	110.8	T455 R456 V461 C462 D463 W531 V534	T455-V459 WeakPolarHBondContact O-CG2 3.09Å; T455-V459 PolarHBondContact O-N 3.15Å; T455-V459 VanDerWaalsContact O-N 3.07Å; R456-V459 PolarHBondContact O-N 3.09Å; V459-V461 PolarHBondContact O-N 3.45Å; V459-C462 CarbonylContact O-C 3.58Å; V459-C462 PolarHBondContact O-N 3.09Å; V459-C462 VanDerWaalsContact O-N 3.16Å; V459-D463 WeakPolarHBondContact O-CB 3.49Å; V459-D463 PolarHBondContact O-N 2.93Å; V459-W531 HydrophobicContact CG1-CB 4.47Å; V459-W531 HydrophobicContact CG1-CD2 4.13Å; V459-W531 HydrophobicContact CG1-CE3 3.47Å; V459-W531 VanDerWaalsContact CG1-CE3 3.47Å; V459-W531 HydrophobicContact CG1-CZ3 4.06Å; V459-V534 HydrophobicContact CG2-CB 4.29Å; V459-V534 HydrophobicContact CG2-CG1 4.02Å
460	T	89.6	Confident	89.2	Confident	103 Å²	103	44.8 Å²	44.8	63%	0.632	23%	0.231	S	C	*	.	H	α-helix	trans	-63	-39.5	178.9	-53.8	0	0	0	0	112.5	R456 Q457 L458 C462 D463	R456-T460 PolarHBondContact O-N 3.25Å; R456-T460 PolarHBondContact O-OG1 3.46Å; Q457-T460 WeakPolarHBondContact O-CB 3.41Å; Q457-T460 PolarHBondContact O-N 3.02Å; L458-T460 VanDerWaalsContact C-N 3.28Å; L458-T460 PolarHBondContact O-N 3.38Å; T460-C462 VanDerWaalsContact C-N 3.33Å; T460-D463 PolarHBondContact O-N 2.84Å
461	V	87.8	Confident	88.8	Confident	25 Å²	25	42.3 Å²	42.3	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-67.1	-37.1	175.7	172.5	0	0	0	0	111.2	I414 Q417 I418 L421 Q457 L458 V459 D463	I414-V461 HydrophobicContact CG2-CG1 4.35Å; Q417-V461 HydrophobicContact CB-CG1 4.09Å; Q417-V461 HydrophobicContact CB-CG2 4.49Å; I418-V461 HydrophobicContact CG1-CG1 4.1Å; L421-V461 HydrophobicContact CD1-CG2 4.01Å; Q457-V461 WeakPolarHBondContact O-CG2 3.47Å; Q457-V461 PolarHBondContact O-N 3.23Å; L458-V461 PolarHBondContact O-N 2.97Å; V459-V461 PolarHBondContact O-N 3.45Å; V461-D463 VanDerWaalsContact C-N 3.35Å
462	C	85.9	Confident	88.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-74.6	-21.8	177.8	-74.3	0	0	0	0	113.5	L458 V459 T460 C464 L467 W527 M644	L458-C462 WeakPolarHBondContact O-CB 3.47Å; L458-C462 PolarHBondContact O-N 2.83Å; L458-C462 PolarHBondContact O-SG 2.65Å; V459-C462 CarbonylContact O-C 3.58Å; V459-C462 PolarHBondContact O-N 3.09Å; V459-C462 VanDerWaalsContact O-N 3.16Å; T460-C462 VanDerWaalsContact C-N 3.33Å; C462-C464 VanDerWaalsContact C-N 3.29Å; C462-C464 PolarHBondContact O-N 3.33Å; C462-C464 VanDerWaalsContact O-N 3.12Å; C462-L467 HydrophobicContact CB-CD2 4.29Å; C462-L467 WeakPolarHBondContact O-CD2 3.34Å; C462-W527 HydrophobicContact CB-CH2 4.4Å; C462-W527 HydrophobicContact CB-CZ2 3.83Å; C462-W527 PolarHBondContact O-NE1 3.18Å; C462-M644 HydrophobicContact CB-SD 4.08Å
463	D	84.3	Confident	87.6	Confident	101 Å²	101	47.8 Å²	47.8	54%	0.54	25%	0.247	S	C	.	.			trans	-86	65.8	174.5	-173.3	21.5	0	0	0	111.3	V459 T460 V461	V459-D463 WeakPolarHBondContact O-CB 3.49Å; V459-D463 PolarHBondContact O-N 2.93Å; T460-D463 PolarHBondContact O-N 2.84Å; V461-D463 VanDerWaalsContact C-N 3.35Å
464	C	84.3	Confident	87.1	Confident	33 Å²	33	45 Å²	45	22%	0.223	23%	0.232	C	C	.	.			trans	-129.5	143.2	172.7	74.4	0	0	0	0	112.5	C462 L466 L467 A468	C462-C464 VanDerWaalsContact C-N 3.29Å; C462-C464 PolarHBondContact O-N 3.33Å; C462-C464 VanDerWaalsContact O-N 3.12Å; C464-L466 PolarHBondContact O-N 3.44Å; C464-L467 PolarHBondContact O-N 2.79Å; C464-L467 WeakPolarHBondContact SG-CB 3.25Å; C464-A468 PolarHBondContact O-N 2.93Å
465	K	83.4	Confident	86.6	Confident	182 Å²	182	43.8 Å²	43.8	79%	0.791	23%	0.228	S	C	*	.	H	α-helix	trans	-56.2	-35.8	-179.6	-67.1	-176	179	-179.3	0	112.8	N469	K465-N469 WeakPolarHBondContact O-CB 3.43Å; K465-N469 PolarHBondContact O-N 3.41Å; K465-N469 PolarHBondContact O-ND2 2.87Å; K465-N469 PolarHBondContact O-OD1 3.47Å
466	L	85	Confident	85.9	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-47.9	177.9	-178.7	61.4	0	0	0	110.7	Y403 D407 R410 I414 C464 N469 S470 M652 L655	Y403-L466 HydrophobicContact CD1-CD1 3.74Å; Y403-L466 HydrophobicContact CE1-CD1 3.74Å; D407-L466 HydrophobicContact CB-CD1 3.76Å; D407-L466 HydrophobicContact CB-CD2 3.98Å; R410-L466 HydrophobicContact CB-CD2 4.01Å; R410-L466 HydrophobicContact CG-CD2 4.04Å; I414-L466 HydrophobicContact CD1-CD2 4.3Å; C464-L466 PolarHBondContact O-N 3.44Å; L466-N469 PolarHBondContact O-N 2.68Å; L466-S470 PolarHBondContact O-N 2.73Å; L466-S470 PolarHBondContact O-OG 3.28Å; L466-M652 HydrophobicContact CG-CE 4.22Å; L466-L655 HydrophobicContact CD1-CD1 3.78Å; L466-L655 HydrophobicContact CD2-CD1 4.43Å; L466-L655 HydrophobicContact CG-CD1 4.22Å
467	L	86.3	Confident	85.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-42	179.6	-175.1	59	0	0	0	112.9	C462 C464 N469 S470 I471 W527 A648 A651 M652	C462-L467 HydrophobicContact CB-CD2 4.29Å; C462-L467 WeakPolarHBondContact O-CD2 3.34Å; C464-L467 PolarHBondContact O-N 2.79Å; C464-L467 WeakPolarHBondContact SG-CB 3.25Å; L467-N469 VanDerWaalsContact C-N 3.31Å; L467-N469 PolarHBondContact O-N 2.95Å; L467-S470 PolarHBondContact O-N 2.88Å; L467-I471 HydrophobicContact CD1-CD1 4.13Å; L467-I471 HydrophobicContact CD1-CG1 4.23Å; L467-I471 HydrophobicContact CG-CD1 3.93Å; L467-I471 HydrophobicContact CG-CG1 4.46Å; L467-I471 WeakPolarHBondContact O-CB 3.27Å; L467-I471 VanDerWaalsContact O-CG1 3.26Å; L467-I471 WeakPolarHBondContact O-CG1 3.46Å; L467-I471 PolarHBondContact O-N 2.86Å; L467-W527 HydrophobicContact CD2-CH2 4.24Å; L467-W527 HydrophobicContact CD2-CZ2 3.47Å; L467-W527 VanDerWaalsContact CD2-CZ2 3.47Å; L467-W527 HydrophobicContact CG-CZ2 4.02Å; L467-A648 HydrophobicContact CD1-CB 3.97Å; L467-A648 HydrophobicContact CD2-CB 3.71Å; L467-A648 HydrophobicContact CG-CB 4.41Å; L467-A651 HydrophobicContact CD1-CB 4.1Å; L467-M652 HydrophobicContact CB-CE 3.82Å; L467-M652 HydrophobicContact CD1-CE 3.3Å; L467-M652 HydrophobicContact CD1-CG 3.93Å; L467-M652 HydrophobicContact CD1-SD 4.39Å; L467-M652 HydrophobicContact CG-CE 4.17Å
468	A	84.6	Confident	84.9	Confident	41 Å²	41	41 Å²	41	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-57.4	-45.4	173.1	0	0	0	0	0	111.7	C464 I471 H472	C464-A468 PolarHBondContact O-N 2.93Å; A468-I471 PolarHBondContact O-N 3.35Å; A468-H472 PolarHBondContact O-N 3.33Å
469	N	83.7	Confident	84	Confident	84 Å²	84	43 Å²	43	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-64.6	-41.3	177.1	-69.5	-12.9	0	0	0	112.3	K465 L466 L467 H472 G473	K465-N469 WeakPolarHBondContact O-CB 3.43Å; K465-N469 PolarHBondContact O-N 3.41Å; K465-N469 PolarHBondContact O-ND2 2.87Å; K465-N469 PolarHBondContact O-OD1 3.47Å; L466-N469 PolarHBondContact O-N 2.68Å; L467-N469 VanDerWaalsContact C-N 3.31Å; L467-N469 PolarHBondContact O-N 2.95Å; N469-H472 PolarHBondContact O-N 3.09Å; N469-G473 PolarHBondContact O-N 3.34Å
470	S	85.6	Confident	82.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-68.3	-36.8	178.2	-57.8	0	0	0	0	112.9	Y403 L466 L467 G473 L474 M652 L655	Y403-S470 WeakPolarHBondContact OH-CA 3.43Å; Y403-S470 PolarHBondContact OH-OG 2.88Å; L466-S470 PolarHBondContact O-N 2.73Å; L466-S470 PolarHBondContact O-OG 3.28Å; L467-S470 PolarHBondContact O-N 2.88Å; S470-G473 PolarHBondContact O-N 3.47Å; S470-L474 WeakPolarHBondContact O-CB 3.29Å; S470-L474 PolarHBondContact O-N 3.39Å; S470-M652 WeakPolarHBondContact OG-CE 3.42Å; S470-L655 WeakPolarHBondContact OG-CD1 3.28Å
471	I	85.6	Confident	81.3	Confident	7 Å²	7	46.3 Å²	46.3	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-45.7	174.1	-71.5	169.2	0	0	0	109.9	L467 A468 G473 L474 N475 W527 A651	L467-I471 HydrophobicContact CD1-CD1 4.13Å; L467-I471 HydrophobicContact CD1-CG1 4.23Å; L467-I471 HydrophobicContact CG-CD1 3.93Å; L467-I471 HydrophobicContact CG-CG1 4.46Å; L467-I471 WeakPolarHBondContact O-CB 3.27Å; L467-I471 VanDerWaalsContact O-CG1 3.26Å; L467-I471 WeakPolarHBondContact O-CG1 3.46Å; L467-I471 PolarHBondContact O-N 2.86Å; A468-I471 PolarHBondContact O-N 3.35Å; I471-G473 VanDerWaalsContact C-N 3.32Å; I471-G473 PolarHBondContact O-N 3.07Å; I471-L474 PolarHBondContact O-N 3.3Å; I471-N475 PolarHBondContact O-N 2.92Å; I471-W527 HydrophobicContact CD1-CB 4.32Å; I471-W527 HydrophobicContact CD1-CD2 3.13Å; I471-W527 HydrophobicContact CD1-CE3 3.33Å; I471-W527 HydrophobicContact CD1-CG 3.6Å; I471-W527 HydrophobicContact CD1-CH2 3.95Å; I471-W527 HydrophobicContact CD1-CZ2 3.79Å; I471-W527 HydrophobicContact CD1-CZ3 3.73Å; I471-A651 HydrophobicContact CB-CB 4.24Å; I471-A651 HydrophobicContact CG1-CB 3.37Å
472	H	82.5	Confident	79.8	Confident	106 Å²	106	48.9 Å²	48.9	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-59.7	-44.1	174.7	-175.2	65.9	0	0	0	111.6	A468 N469 L474 N475 A476	A468-H472 PolarHBondContact O-N 3.33Å; N469-H472 PolarHBondContact O-N 3.09Å; H472-L474 PolarHBondContact O-N 3.09Å; H472-N475 PolarHBondContact O-N 3.32Å; H472-A476 WeakPolarHBondContact O-CB 3.38Å; H472-A476 PolarHBondContact O-N 2.94Å
473	G	82.1	Confident	78.3	Confident	13 Å²	13	51.9 Å²	51.9	13%	0.134	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-41.4	175.9	0	0	0	0	0	113.3	N469 S470 I471 A476 A477 F654	N469-G473 PolarHBondContact O-N 3.34Å; S470-G473 PolarHBondContact O-N 3.47Å; I471-G473 VanDerWaalsContact C-N 3.32Å; I471-G473 PolarHBondContact O-N 3.07Å; G473-A476 PolarHBondContact O-N 2.99Å; G473-A477 PolarHBondContact O-N 3.01Å; G473-A477 VanDerWaalsContact O-N 3.16Å; G473-F654 WeakPolarHBondContact O-CE1 3.43Å
474	L	84.6	Confident	76.6	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-67.5	-44	176.7	176.1	59.2	0	0	0	111.7	L283 S470 I471 H472 A476 A477 R478 K650 A651 F654	L283-L474 HydrophobicContact CD2-CD1 3.96Å; S470-L474 WeakPolarHBondContact O-CB 3.29Å; S470-L474 PolarHBondContact O-N 3.39Å; I471-L474 PolarHBondContact O-N 3.3Å; H472-L474 PolarHBondContact O-N 3.09Å; L474-A476 VanDerWaalsContact C-N 3.3Å; L474-A476 PolarHBondContact O-N 3.22Å; L474-A477 WeakPolarHBondContact O-CB 3.45Å; L474-A477 PolarHBondContact O-N 3.28Å; L474-A477 VanDerWaalsContact O-N 3.1Å; L474-R478 PolarHBondContact O-N 3.49Å; L474-K650 HydrophobicContact CD2-CB 3.85Å; L474-A651 HydrophobicContact CD2-CB 4.42Å; L474-F654 HydrophobicContact CB-CB 4.33Å; L474-F654 HydrophobicContact CB-CD1 3.85Å; L474-F654 HydrophobicContact CB-CE1 4.47Å; L474-F654 HydrophobicContact CB-CG 4.16Å; L474-F654 HydrophobicContact CD1-CB 3.95Å; L474-F654 HydrophobicContact CD1-CD1 4.23Å; L474-F654 HydrophobicContact CD1-CD2 3.92Å; L474-F654 HydrophobicContact CD1-CG 3.77Å
475	N	83.6	Confident	74.8	Confident	17 Å²	17	56.1 Å²	56.1	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-41.3	176.7	-72	-0.8	0	0	0	111	I471 H472 A477 R478 Y481 E524	I471-N475 PolarHBondContact O-N 2.92Å; H472-N475 PolarHBondContact O-N 3.32Å; N475-A477 PolarHBondContact O-N 3.49Å; N475-R478 WeakPolarHBondContact O-CB 3.32Å; N475-R478 PolarHBondContact O-N 3.41Å; N475-R478 VanDerWaalsContact O-N 3.11Å; N475-Y481 VanDerWaalsContact O-CB 3.29Å; N475-Y481 WeakPolarHBondContact O-CB 3.33Å; N475-E524 VanDerWaalsContact CG-OE1 3.28Å; N475-E524 PolarHBondContact ND2-OE1 2.89Å
476	A	79.4	Confident	72.7	Confident	20 Å²	20	51 Å²	51	17%	0.165	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-22.9	175.9	0	0	0	0	0	113.8	H472 G473 L474 R478 Y481	H472-A476 WeakPolarHBondContact O-CB 3.38Å; H472-A476 PolarHBondContact O-N 2.94Å; G473-A476 PolarHBondContact O-N 2.99Å; L474-A476 VanDerWaalsContact C-N 3.3Å; L474-A476 PolarHBondContact O-N 3.22Å; A476-R478 VanDerWaalsContact C-N 3.35Å; A476-Y481 VanDerWaalsContact CA-CD1 3.48Å; A476-Y481 HydrophobicContact CB-CD1 4.1Å; A476-Y481 HydrophobicContact CB-CE1 3.87Å
477	A	81.2	Confident	70.1	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.5	177.3	0	0	0	0	0	113.8	L283 S284 W287 G473 L474 N475 F654	L283-A477 HydrophobicContact CD2-CB 4.22Å; S284-A477 WeakPolarHBondContact CB-O 3.36Å; S284-A477 PolarHBondContact N-O 2.85Å; W287-A477 HydrophobicContact CG-CB 4.03Å; G473-A477 PolarHBondContact O-N 3.01Å; G473-A477 VanDerWaalsContact O-N 3.16Å; L474-A477 WeakPolarHBondContact O-CB 3.45Å; L474-A477 PolarHBondContact O-N 3.28Å; L474-A477 VanDerWaalsContact O-N 3.1Å; N475-A477 PolarHBondContact O-N 3.49Å; A477-F654 HydrophobicContact CB-CE1 4.06Å; A477-F654 HydrophobicContact CB-CE2 3.83Å; A477-F654 HydrophobicContact CB-CZ 3.39Å
478	R	83.5	Confident	67.8	Low	97 Å²	97	60.3 Å²	60.3	37%	0.366	35%	0.351	S	S	.	.	S	Bend	trans	-79.3	144.4	-179.9	-67.8	-172.5	173	-168.2	-3.3	112.2	L474 N475 A476 D480 Y481	L474-R478 PolarHBondContact O-N 3.49Å; N475-R478 WeakPolarHBondContact O-CB 3.32Å; N475-R478 PolarHBondContact O-N 3.41Å; N475-R478 VanDerWaalsContact O-N 3.11Å; A476-R478 VanDerWaalsContact C-N 3.35Å; R478-D480 VanDerWaalsContact C-N 3.32Å; R478-D480 PolarHBondContact O-N 3.3Å; R478-Y481 PolarHBondContact O-N 3Å
479	P	71.8	Confident	65.6	Low	42 Å²	42	64.9 Å²	64.9	27%	0.273	38%	0.375	S	S	.	.	H	α-helix	trans	-55.9	-41.8	180	-24.7	33.6	0	0	0	114	E282 Y481 I482 A483	E282-P479 HydrophobicContact CB-CG 4.35Å; E282-P479 WeakPolarHBondContact O-CD 3.36Å; P479-Y481 VanDerWaalsContact C-N 3.28Å; P479-Y481 PolarHBondContact O-N 3.05Å; P479-I482 PolarHBondContact O-N 3.3Å; P479-I482 VanDerWaalsContact O-N 3.12Å; P479-A483 PolarHBondContact O-N 3.13Å
480	D	62.2	Low	63.1	Low	124 Å²	124	66.1 Å²	66.1	66%	0.663	39%	0.39	S	S	*	.	H	α-helix	trans	-64.9	-31	-176.5	-56.1	-33.3	0	0	0	113.1	R478 S484	R478-D480 VanDerWaalsContact C-N 3.32Å; R478-D480 PolarHBondContact O-N 3.3Å; D480-S484 WeakPolarHBondContact O-CB 3.32Å; D480-S484 PolarHBondContact O-N 3.41Å; D480-S484 VanDerWaalsContact O-N 3.16Å; D480-S484 PolarHBondContact O-OG 3.27Å
481	Y	59.1	Low	60.8	Low	62 Å²	62	72.9 Å²	72.9	24%	0.243	43%	0.431	C	S	.	.	H	α-helix	trans	-71.4	-33.5	176.2	-171.6	-91.1	0	0	0	112	N475 A476 R478 P479 S484	N475-Y481 VanDerWaalsContact O-CB 3.29Å; N475-Y481 WeakPolarHBondContact O-CB 3.33Å; A476-Y481 VanDerWaalsContact CA-CD1 3.48Å; A476-Y481 HydrophobicContact CB-CD1 4.1Å; A476-Y481 HydrophobicContact CB-CE1 3.87Å; R478-Y481 PolarHBondContact O-N 3Å; P479-Y481 VanDerWaalsContact C-N 3.28Å; P479-Y481 PolarHBondContact O-N 3.05Å; Y481-S484 PolarHBondContact O-OG 3.08Å
482	I	57.9	Low	58.2	Low	80 Å²	80	81.3 Å²	81.3	41%	0.41	47%	0.471	S	S	.	.	H	α-helix	trans	-75.6	-41.1	177.4	-60.4	175.3	0	0	0	110.3	S284 P479 S484 K485 A486	S284-I482 VanDerWaalsContact CB-CD1 3.43Å; P479-I482 PolarHBondContact O-N 3.3Å; P479-I482 VanDerWaalsContact O-N 3.12Å; I482-S484 PolarHBondContact O-N 3.3Å; I482-K485 PolarHBondContact O-N 2.82Å; I482-A486 PolarHBondContact O-N 3.4Å
483	A	54.1	Low	56	Low	63 Å²	63	85.8 Å²	85.8	52%	0.521	49%	0.492	S	S	.	.	H	α-helix	trans	-65.2	-36.1	179.4	0	0	0	0	0	113	P479 K485 A486	P479-A483 PolarHBondContact O-N 3.13Å; A483-K485 PolarHBondContact O-N 2.9Å; A483-A486 PolarHBondContact O-N 3.21Å
484	S	48.2	Very low	53.7	Low	69 Å²	69	93.6 Å²	93.6	48%	0.483	53%	0.525	S	S	.	.	H	α-helix	trans	-70.7	-26.1	179.8	52.7	0	0	0	0	114.1	D480 Y481 I482	D480-S484 WeakPolarHBondContact O-CB 3.32Å; D480-S484 PolarHBondContact O-N 3.41Å; D480-S484 VanDerWaalsContact O-N 3.16Å; D480-S484 PolarHBondContact O-OG 3.27Å; Y481-S484 PolarHBondContact O-OG 3.08Å; I482-S484 PolarHBondContact O-N 3.3Å
485	K	46.2	Very low	51.1	Low	153 Å²	153	100.8 Å²	100.8	67%	0.665	56%	0.558	S	S	*	*	H	α-helix	trans	-85.4	-15.6	170.5	-79	-140.8	174	-168.2	0	114.5	I482 A483 S487	I482-K485 PolarHBondContact O-N 2.82Å; A483-K485 PolarHBondContact O-N 2.9Å; K485-S487 VanDerWaalsContact C-N 3.31Å; K485-S487 PolarHBondContact O-N 3.03Å
486	A	38.7	Very low	48.7	Very low	75 Å²	75	105.3 Å²	105.3	62%	0.62	59%	0.586	S	S	*	*			trans	-88.6	11.4	179.1	0	0	0	0	0	113.9	I482 A483 P488	I482-A486 PolarHBondContact O-N 3.4Å; A483-A486 PolarHBondContact O-N 3.21Å; A486-P488 WeakPolarHBondContact O-CD 3.47Å
487	S	31.6	Very low	46.3	Very low	82 Å²	82	111 Å²	111	57%	0.573	61%	0.611	S	S	*	*			trans	-77.8	116.9	173.2	-68.2	0	0	0	0	110.3	K485 T489	K485-S487 VanDerWaalsContact C-N 3.31Å; K485-S487 PolarHBondContact O-N 3.03Å; S487-T489 PolarHBondContact O-N 2.82Å
488	P	37.8	Very low	44.1	Very low	125 Å²	125	117.2 Å²	117.2	81%	0.812	64%	0.644	S	S	*	*			trans	-82.9	104.7	-170.3	32	-31.2	0	0	0	110.5	A486	A486-P488 WeakPolarHBondContact O-CD 3.47Å
489	T	37.4	Very low	41.4	Very low	138 Å²	138	121.9 Å²	121.9	85%	0.847	66%	0.661	S	S	*	*			trans	-138.8	55.4	159.7	22.7	0	0	0	0	111.6	S487	S487-T489 PolarHBondContact O-N 2.82Å
490	S	33.2	Very low	39.5	Very low	110 Å²	110	127 Å²	127	77%	0.769	69%	0.686	S	S	*	*	S	Bend	trans	-175.7	128.1	150.4	48.9	0	0	0	0	109.9	E492	S490-E492 PolarHBondContact O-N 3.32Å
491	T	35.7	Very low	37.9	Very low	141 Å²	141	126.1 Å²	126.1	87%	0.865	68%	0.682	S	S	*	*			trans	-62	98.2	167.5	39.6	0	0	0	0	110.3
492	E	31.7	Very low	36.6	Very low	184 Å²	184	133 Å²	133	86%	0.86	72%	0.716	S	S	*	*	S	Bend	trans	-170.3	140.5	148.3	-104.5	170.7	-158	0	0	108.4	S490 E494	S490-E492 PolarHBondContact O-N 3.32Å; E492-E494 PolarHBondContact O-N 2.78Å
493	E	36.8	Very low	35.4	Very low	201 Å²	201	136.7 Å²	136.7	94%	0.939	74%	0.737	S	S	*	*			trans	-67.2	93.9	-164.7	-63	174.8	153.5	0	0	113.7
494	E	32.3	Very low	34.5	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.822	74%	0.737	S	S	*	*			trans	-110	91.6	158.2	-82.4	-169.3	161.4	0	0	109.7	E492	E492-E494 PolarHBondContact O-N 2.78Å
495	Q	30	Very low	33.8	Very low	157 Å²	157	140.5 Å²	140.5	73%	0.734	75%	0.746	S	S	*	*			trans	-103.9	121.3	171.3	-122.7	-178.5	10.9	0	0	109.4	M497	Q495-M497 VanDerWaalsContact C-N 3.34Å; Q495-M497 PolarHBondContact O-N 3Å
496	V	35	Very low	33.2	Very low	113 Å²	113	136.2 Å²	136.2	69%	0.685	73%	0.729	S	S	*	*			trans	-65.5	95.3	163.2	177.5	0	0	0	0	107.5	L498	V496-L498 PolarHBondContact O-N 2.73Å
497	M	28.4	Very low	32.9	Very low	140 Å²	140	134.7 Å²	134.7	69%	0.69	72%	0.716	S	S	*	*			trans	-81.4	104.9	172.8	-76.4	-168.2	176.5	0	0	110	Q495 R499	Q495-M497 VanDerWaalsContact C-N 3.34Å; Q495-M497 PolarHBondContact O-N 3Å; M497-R499 PolarHBondContact O-N 2.75Å
498	L	33.8	Very low	32.9	Very low	129 Å²	129	138.4 Å²	138.4	68%	0.675	72%	0.717	S	S	*	*			trans	-73.1	106.5	160.4	-74.4	163.6	0	0	0	108.3	V496	V496-L498 PolarHBondContact O-N 2.73Å
499	R	27.6	Very low	32.7	Very low	196 Å²	196	138.7 Å²	138.7	74%	0.74	70%	0.702	S	S	*	*			trans	-87	113.7	162.5	-90.3	-163.5	175.6	-168.4	0.2	109.2	M497 D501	M497-R499 PolarHBondContact O-N 2.75Å; R499-D501 VanDerWaalsContact C-N 3.34Å; R499-D501 PolarHBondContact O-N 3.27Å
500	N	32.7	Very low	32.2	Very low	149 Å²	149	137.3 Å²	137.3	80%	0.797	69%	0.694	S	S	*	*			trans	-79.3	81.3	165.6	-110.7	3.9	0	0	0	108.4
501	D	27	Very low	32.2	Very low	106 Å²	106	135.1 Å²	135.1	57%	0.567	69%	0.689	S	S	*	*			trans	-106.3	130	162.2	-72.5	-34.4	0	0	0	107.8	R499 D503 T504	R499-D501 VanDerWaalsContact C-N 3.34Å; R499-D501 PolarHBondContact O-N 3.27Å; D501-D503 PolarHBondContact O-N 3.39Å; D501-T504 PolarHBondContact O-N 3.39Å
502	Q	32.7	Very low	31.8	Very low	205 Å²	205	140.1 Å²	140.1	96%	0.958	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	1.2	-161.4	-113.8	166.9	-11.8	0	0	116.7
503	D	32.9	Very low	32	Very low	159 Å²	159	139 Å²	139	85%	0.85	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.6	5.5	-175.8	-78.5	-41	0	0	0	115.3	D501	D501-D503 PolarHBondContact O-N 3.39Å
504	T	34.7	Very low	31.5	Very low	87 Å²	87	135.3 Å²	135.3	53%	0.534	69%	0.688	S	S	.	*			trans	-156.3	103.2	170.9	-38.2	0	0	0	0	112.3	D501 M506	D501-T504 PolarHBondContact O-N 3.39Å; T504-M506 HydrophobicContact CG2-CE 4.23Å; T504-M506 HydrophobicContact CG2-CG 3.93Å; T504-M506 HydrophobicContact CG2-SD 3.99Å; T504-M506 PolarHBondContact O-N 3.48Å
505	L	33.5	Very low	31.8	Very low	125 Å²	125	139.1 Å²	139.1	65%	0.654	69%	0.694	S	S	*	*			trans	-77.8	99.1	169.8	-75.9	166.8	0	0	0	109.4
506	M	32.9	Very low	31.6	Very low	63 Å²	63	136.9 Å²	136.9	31%	0.31	70%	0.696	S	S	.	*			trans	-128.6	125.8	172.1	-78.9	-175.4	170.5	0	0	111.5	C398 T504	C398-M506 HydrophobicContact CB-CE 4.28Å; C398-M506 HydrophobicContact CB-SD 3.38Å; C398-M506 WeakPolarHBondContact CB-SD 3.18Å; C398-M506 PolarHBondContact SG-SD 3.11Å; T504-M506 HydrophobicContact CG2-CE 4.23Å; T504-M506 HydrophobicContact CG2-CG 3.93Å; T504-M506 HydrophobicContact CG2-SD 3.99Å; T504-M506 PolarHBondContact O-N 3.48Å
507	A	34.3	Very low	31.5	Very low	42 Å²	42	136.5 Å²	136.5	35%	0.347	70%	0.698	S	S	.	*			trans	-81.6	114.8	163.4	0	0	0	0	0	108.1
508	R	30.1	Very low	31.4	Very low	161 Å²	161	138 Å²	138	61%	0.608	71%	0.708	S	S	*	*			trans	-90.7	116.1	-179.3	-142.7	179.4	-179.4	179.3	1	109
509	W	33.6	Very low	31.3	Very low	131 Å²	131	140.3 Å²	140.3	50%	0.496	72%	0.716	S	S	.	*			trans	-92.6	135.9	166.4	-70.9	82.9	0	0	0	108.6	Q399	Q399-W509 PolarHBondContact OE1-O 3.28Å
510	T	27.9	Very low	31.2	Very low	109 Å²	109	136.7 Å²	136.7	67%	0.669	72%	0.715	S	S	*	*			trans	-121.8	84.4	171	49.3	0	0	0	0	108.7
511	G	32.3	Very low	31	Very low	64 Å²	64	135.5 Å²	135.5	66%	0.66	71%	0.709	S	S	*	*			trans	-99.2	102.3	174.6	0	0	0	0	0	110.9
512	R	27.4	Very low	31.3	Very low	245 Å²	245	140.8 Å²	140.8	93%	0.925	72%	0.721	S	S	*	*			trans	-96.6	130.4	166.8	-149.7	-179.5	-167.5	-150.7	3.5	108.8	S514	R512-S514 PolarHBondContact O-N 3.17Å
513	N	35.2	Very low	31.6	Very low	162 Å²	162	139.1 Å²	139.1	87%	0.866	71%	0.713	S	S	*	*			trans	-38.8	122	174.6	-80.4	-15.1	0	0	0	113
514	S	27	Very low	32.2	Very low	122 Å²	122	136.5 Å²	136.5	85%	0.853	70%	0.696	S	S	*	*			trans	-152.5	124.2	149.2	-81.6	0	0	0	0	110.7	R512	R512-S514 PolarHBondContact O-N 3.17Å
515	R	38.9	Very low	33.2	Very low	256 Å²	256	135.6 Å²	135.6	97%	0.966	69%	0.685	S	S	*	*			trans	-72.8	114.8	171.3	-74.7	169.6	155	171.5	-7.5	108.7
516	S	25.3	Very low	34.8	Very low	111 Å²	111	135.3 Å²	135.3	78%	0.776	68%	0.68	S	S	*	*				-174.5	131.2	127.9	69.4	0	0	0	0	112.2
517	S	33.1	Very low	37.1	Very low	104 Å²	104	133.5 Å²	133.5	73%	0.727	67%	0.67	S	S	*	*			trans	-13.2	131.3	160.7	55.3	0	0	0	0	119.1
518	L	26.4	Very low	39.2	Very low	171 Å²	171	137.6 Å²	137.6	90%	0.895	68%	0.682	S	S	*	*				-159.3	119	110.5	-98.7	154.5	0	0	0	108.8	V520	L518-V520 PolarHBondContact O-N 2.9Å
519	Q	31.1	Very low	41.6	Very low	178 Å²	178	134.3 Å²	134.3	83%	0.832	67%	0.672	S	S	*	*			trans	-75	114.3	-175.1	-166.8	173.7	5.4	0	0	108.5
520	V	26.4	Very low	43.9	Very low	120 Å²	120	128.2 Å²	128.2	73%	0.727	65%	0.65	S	S	*	*			trans	-108.1	111.4	164.8	178.5	0	0	0	0	106.4	L518 W522	L518-V520 PolarHBondContact O-N 2.9Å; V520-W522 PolarHBondContact O-N 2.93Å
521	D	28.8	Very low	46.5	Very low	125 Å²	125	125 Å²	125	67%	0.668	63%	0.625	S	S	*	*			trans	-71.7	108.5	-174.7	-131.5	-4	0	0	0	109.9
522	W	32.3	Very low	49	Very low	217 Å²	217	124.9 Å²	124.9	82%	0.822	61%	0.609	S	S	*	*			trans	-127.5	121.7	158.6	-75.3	101.2	0	0	0	107.6	V520 E524	V520-W522 PolarHBondContact O-N 2.93Å; W522-E524 VanDerWaalsContact C-N 3.26Å; W522-E524 PolarHBondContact O-N 3.4Å
523	H	38.8	Very low	51.9	Low	169 Å²	169	115.6 Å²	115.6	78%	0.782	58%	0.578	S	S	*	*			trans	-68.8	76.1	-179.2	-84.4	-77.3	0	0	0	111.6
524	E	46.2	Very low	54.6	Low	105 Å²	105	107.9 Å²	107.9	49%	0.491	54%	0.536	S	S	.	.			trans	-81.1	121.1	151.9	-104.7	-170.2	157.5	0	0	107.7	N475 W522 E526	N475-E524 VanDerWaalsContact CG-OE1 3.28Å; N475-E524 PolarHBondContact ND2-OE1 2.89Å; W522-E524 VanDerWaalsContact C-N 3.26Å; W522-E524 PolarHBondContact O-N 3.4Å; E524-E526 PolarHBondContact O-N 2.88Å
525	E	54.6	Low	57.4	Low	68 Å²	68	104.6 Å²	104.6	32%	0.318	51%	0.509	S	S	.	.			trans	-60.3	104.4	165.7	-78.1	-172.8	155.5	0	0	108.2	W527 K529 V530 K647	E525-W527 PolarHBondContact O-N 3.19Å; E525-K529 HydrophobicContact CB-CB 4.35Å; E525-V530 HydrophobicContact CB-CG2 3.97Å; E525-K647 PolarHBondContact O-NZ 3.38Å
526	E	67.4	Low	59.9	Low	118 Å²	118	97.9 Å²	97.9	55%	0.551	49%	0.487	S	S	*	.			trans	-39.4	129	164.4	-70.5	170.9	144.1	0	0	107.4	E524 E528 K529	E524-E526 PolarHBondContact O-N 2.88Å; E526-E528 CarbonylContact O-C 3.51Å; E526-E528 PolarHBondContact O-N 3.39Å; E526-K529 HydrophobicContact CB-CD 4.27Å; E526-K529 HydrophobicContact CB-CG 4.35Å; E526-K529 WeakPolarHBondContact O-CA 3.28Å; E526-K529 WeakPolarHBondContact O-CB 3.18Å; E526-K529 PolarHBondContact O-N 3.36Å; E526-K529 WeakPolarHBondContact OE2-CE 3.3Å; E526-K529 IonicContact OE2-NZ 2.74Å; E526-K529 PolarHBondContact OE2-NZ 2.96Å
527	W	81.3	Confident	63	Low	25 Å²	25	93.4 Å²	93.4	10%	0.095	46%	0.456	C	S	.	.	H	α-helix	trans	-46.8	-34.1	-175	169.5	-122.1	0	0	0	112.9	C462 L467 I471 E525 K529 V530 W531 M644 K647 A648	C462-W527 HydrophobicContact CB-CH2 4.4Å; C462-W527 HydrophobicContact CB-CZ2 3.83Å; C462-W527 PolarHBondContact O-NE1 3.18Å; L467-W527 HydrophobicContact CD2-CH2 4.24Å; L467-W527 HydrophobicContact CD2-CZ2 3.47Å; L467-W527 VanDerWaalsContact CD2-CZ2 3.47Å; L467-W527 HydrophobicContact CG-CZ2 4.02Å; I471-W527 HydrophobicContact CD1-CB 4.32Å; I471-W527 HydrophobicContact CD1-CD2 3.13Å; I471-W527 HydrophobicContact CD1-CE3 3.33Å; I471-W527 HydrophobicContact CD1-CG 3.6Å; I471-W527 HydrophobicContact CD1-CH2 3.95Å; I471-W527 HydrophobicContact CD1-CZ2 3.79Å; I471-W527 HydrophobicContact CD1-CZ3 3.73Å; E525-W527 PolarHBondContact O-N 3.19Å; W527-K529 VanDerWaalsContact C-N 3.34Å; W527-K529 PolarHBondContact O-N 2.93Å; W527-V530 HydrophobicContact CE3-CB 3.94Å; W527-V530 HydrophobicContact CE3-CG1 4.25Å; W527-V530 HydrophobicContact CE3-CG2 4.31Å; W527-V530 HydrophobicContact CZ3-CB 4.14Å; W527-V530 HydrophobicContact CZ3-CG1 3.95Å; W527-V530 WeakPolarHBondContact O-CB 3.21Å; W527-V530 PolarHBondContact O-N 2.79Å; W527-V530 VanDerWaalsContact O-N 3.12Å; W527-W531 AromaticContact CE2-CD1 3.84Å; W527-W531 AromaticContact NE1-CD1 3.78Å; W527-W531 PolarHBondContact O-N 3.41Å; W527-M644 HydrophobicContact CH2-CG 3.65Å; W527-M644 HydrophobicContact CZ3-CG 4.12Å; W527-K647 HydrophobicContact CE3-CD 4.07Å; W527-K647 HydrophobicContact CE3-CG 4.44Å; W527-K647 HydrophobicContact CZ3-CB 4.16Å; W527-K647 HydrophobicContact CZ3-CD 4.13Å; W527-K647 HydrophobicContact CZ3-CG 4.2Å; W527-A648 HydrophobicContact CH2-CB 3.9Å; W527-A648 HydrophobicContact CZ2-CB 4.42Å
528	E	78.8	Confident	65.9	Low	129 Å²	129	88.4 Å²	88.4	60%	0.603	42%	0.421	S	S	*	.	H	α-helix	trans	-53.5	-42.5	171.6	-65.6	-176.8	-179.1	0	0	114.1	E526 V530 W531 L532	E526-E528 CarbonylContact O-C 3.51Å; E526-E528 PolarHBondContact O-N 3.39Å; E528-V530 VanDerWaalsContact C-N 3.33Å; E528-V530 PolarHBondContact O-N 2.89Å; E528-W531 HydrophobicContact CB-CZ2 4.24Å; E528-W531 HydrophobicContact CG-CZ2 4.18Å; E528-L532 WeakPolarHBondContact O-CB 3.43Å; E528-L532 PolarHBondContact O-N 2.86Å
529	K	80.8	Confident	69.1	Low	91 Å²	91	83.9 Å²	83.9	40%	0.396	40%	0.395	S	S	.	.	H	α-helix	trans	-65.5	-35.3	177	-65	173.1	-176.4	153.5	0	112.1	E525 E526 W527 L532 N533	E525-K529 HydrophobicContact CB-CB 4.35Å; E526-K529 HydrophobicContact CB-CD 4.27Å; E526-K529 HydrophobicContact CB-CG 4.35Å; E526-K529 WeakPolarHBondContact O-CA 3.28Å; E526-K529 WeakPolarHBondContact O-CB 3.18Å; E526-K529 PolarHBondContact O-N 3.36Å; E526-K529 WeakPolarHBondContact OE2-CE 3.3Å; E526-K529 IonicContact OE2-NZ 2.74Å; E526-K529 PolarHBondContact OE2-NZ 2.96Å; W527-K529 VanDerWaalsContact C-N 3.34Å; W527-K529 PolarHBondContact O-N 2.93Å; K529-L532 PolarHBondContact O-N 2.98Å; K529-N533 PolarHBondContact O-N 2.92Å; K529-N533 PolarHBondContact O-ND2 3.27Å; K529-N533 PolarHBondContact O-OD1 3.47Å
530	V	82.5	Confident	72	Confident	3 Å²	3	78.3 Å²	78.3	2%	0.018	38%	0.375	C	S	.	.	H	α-helix	trans	-66.2	-47.4	-176.6	-178.3	0	0	0	0	111.4	E525 W527 E528 M643 M644 K647	E525-V530 HydrophobicContact CB-CG2 3.97Å; W527-V530 HydrophobicContact CE3-CB 3.94Å; W527-V530 HydrophobicContact CE3-CG1 4.25Å; W527-V530 HydrophobicContact CE3-CG2 4.31Å; W527-V530 HydrophobicContact CZ3-CB 4.14Å; W527-V530 HydrophobicContact CZ3-CG1 3.95Å; W527-V530 WeakPolarHBondContact O-CB 3.21Å; W527-V530 PolarHBondContact O-N 2.79Å; W527-V530 VanDerWaalsContact O-N 3.12Å; E528-V530 VanDerWaalsContact C-N 3.33Å; E528-V530 PolarHBondContact O-N 2.89Å; V530-M643 HydrophobicContact CG1-SD 4.3Å; V530-M644 HydrophobicContact CG1-CB 4.1Å; V530-M644 HydrophobicContact CG1-CG 4.47Å; V530-K647 HydrophobicContact CG2-CD 4.27Å
531	W	82.8	Confident	75.1	Confident	43 Å²	43	72.6 Å²	72.6	16%	0.163	34%	0.341	C	S	.	.	H	α-helix	trans	-79.1	-25.9	176.6	61.8	-107	0	0	0	112.5	V459 W527 E528 N533 V534 D535 M644	V459-W531 HydrophobicContact CG1-CB 4.47Å; V459-W531 HydrophobicContact CG1-CD2 4.13Å; V459-W531 HydrophobicContact CG1-CE3 3.47Å; V459-W531 VanDerWaalsContact CG1-CE3 3.47Å; V459-W531 HydrophobicContact CG1-CZ3 4.06Å; W527-W531 AromaticContact CE2-CD1 3.84Å; W527-W531 AromaticContact NE1-CD1 3.78Å; W527-W531 PolarHBondContact O-N 3.41Å; E528-W531 HydrophobicContact CB-CZ2 4.24Å; E528-W531 HydrophobicContact CG-CZ2 4.18Å; W531-N533 VanDerWaalsContact C-N 3.28Å; W531-N533 PolarHBondContact O-N 3.45Å; W531-V534 WeakPolarHBondContact O-CB 3.42Å; W531-V534 PolarHBondContact O-N 3.42Å; W531-V534 VanDerWaalsContact O-N 3.16Å; W531-D535 PolarHBondContact O-N 3.37Å; W531-M644 HydrophobicContact CB-CG 4.26Å; W531-M644 HydrophobicContact CB-SD 3.37Å; W531-M644 WeakPolarHBondContact CB-SD 3.4Å
532	L	84.8	Confident	78.2	Confident	61 Å²	61	68.1 Å²	68.1	32%	0.319	32%	0.316	S	S	.	.	H	α-helix	trans	-65.2	-30.6	171.5	-169.2	71.6	0	0	0	112.4	E528 K529 V534 D535 K536	E528-L532 WeakPolarHBondContact O-CB 3.43Å; E528-L532 PolarHBondContact O-N 2.86Å; K529-L532 PolarHBondContact O-N 2.98Å; L532-V534 VanDerWaalsContact C-N 3.28Å; L532-V534 PolarHBondContact O-N 3.35Å; L532-D535 PolarHBondContact O-N 3.22Å; L532-K536 WeakPolarHBondContact O-CG 3.46Å; L532-K536 PolarHBondContact O-N 3.49Å
533	N	87.8	Confident	81	Confident	49 Å²	49	62.8 Å²	62.8	26%	0.262	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-33.6	173.2	-73.8	-19.6	0	0	0	112.2	K529 W531 S537	K529-N533 PolarHBondContact O-N 2.92Å; K529-N533 PolarHBondContact O-ND2 3.27Å; K529-N533 PolarHBondContact O-OD1 3.47Å; W531-N533 VanDerWaalsContact C-N 3.28Å; W531-N533 PolarHBondContact O-N 3.45Å; N533-S537 VanDerWaalsContact O-CB 3.31Å; N533-S537 WeakPolarHBondContact O-CB 3.48Å; N533-S537 PolarHBondContact O-N 3.01Å; N533-S537 PolarHBondContact O-OG 3.43Å
534	V	90.7	Very high	83.5	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-45.2	174	175.4	0	0	0	0	110.6	T455 V459 W531 L532 S537 L538 L637 C640 V641 M644	T455-V534 HydrophobicContact CG2-CG1 3.5Å; T455-V534 VanDerWaalsContact CG2-CG1 3.5Å; V459-V534 HydrophobicContact CG2-CB 4.29Å; V459-V534 HydrophobicContact CG2-CG1 4.02Å; W531-V534 WeakPolarHBondContact O-CB 3.42Å; W531-V534 PolarHBondContact O-N 3.42Å; W531-V534 VanDerWaalsContact O-N 3.16Å; L532-V534 VanDerWaalsContact C-N 3.28Å; L532-V534 PolarHBondContact O-N 3.35Å; V534-S537 PolarHBondContact O-N 3.07Å; V534-L538 PolarHBondContact O-N 3.35Å; V534-L637 HydrophobicContact CG1-CD1 4.15Å; V534-C640 HydrophobicContact CG2-CB 3.81Å; V534-V641 HydrophobicContact CG1-CG2 3.69Å; V534-V641 HydrophobicContact CG2-CG2 4.23Å; V534-M644 HydrophobicContact CB-SD 4.49Å; V534-M644 HydrophobicContact CG1-CE 4.39Å; V534-M644 HydrophobicContact CG2-CB 4.16Å; V534-M644 HydrophobicContact CG2-CE 3.93Å; V534-M644 HydrophobicContact CG2-SD 3.9Å
535	D	87.2	Confident	85.6	Confident	53 Å²	53	53.3 Å²	53.3	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-46.3	178.8	-164.5	54.7	0	0	0	111.7	W531 L532 S537 L538 E539	W531-D535 PolarHBondContact O-N 3.37Å; L532-D535 PolarHBondContact O-N 3.22Å; D535-S537 VanDerWaalsContact C-N 3.34Å; D535-S537 PolarHBondContact O-N 3.48Å; D535-L538 WeakPolarHBondContact O-CB 3.23Å; D535-L538 PolarHBondContact O-N 2.93Å; D535-E539 PolarHBondContact O-N 3.34Å
536	K	89.8	Confident	87.3	Confident	115 Å²	115	53.6 Å²	53.6	50%	0.5	26%	0.257	S	S	.	.	H	α-helix	trans	-61.8	-38.9	174.8	-72.6	178.7	179.8	176.4	0	113	L532 L538 E539 C540	L532-K536 WeakPolarHBondContact O-CG 3.46Å; L532-K536 PolarHBondContact O-N 3.49Å; K536-L538 VanDerWaalsContact C-N 3.32Å; K536-E539 PolarHBondContact O-N 3.23Å; K536-C540 PolarHBondContact O-N 2.88Å; K536-C540 PolarHBondContact O-SG 2.8Å; K536-C540 VanDerWaalsContact O-SG 3.36Å
537	S	92.2	Very high	88.3	Confident	17 Å²	17	53.6 Å²	53.6	12%	0.119	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-38.3	177	-62.8	0	0	0	0	111.6	N533 V534 D535 C540 I541	N533-S537 VanDerWaalsContact O-CB 3.31Å; N533-S537 WeakPolarHBondContact O-CB 3.48Å; N533-S537 PolarHBondContact O-N 3.01Å; N533-S537 PolarHBondContact O-OG 3.43Å; V534-S537 PolarHBondContact O-N 3.07Å; D535-S537 VanDerWaalsContact C-N 3.34Å; D535-S537 PolarHBondContact O-N 3.48Å; S537-C540 PolarHBondContact O-N 2.92Å; S537-I541 WeakPolarHBondContact O-CG1 3.35Å; S537-I541 PolarHBondContact O-N 3.14Å
538	L	93.8	Very high	88.6	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-46	173.8	178.3	67.3	0	0	0	111.8	A452 T455 R456 V534 D535 K536 C540 I541 I542 L637	A452-L538 HydrophobicContact CB-CD1 3.98Å; A452-L538 HydrophobicContact CB-CD2 4.06Å; A452-L538 HydrophobicContact CB-CG 4.42Å; T455-L538 HydrophobicContact CG2-CB 4.19Å; T455-L538 HydrophobicContact CG2-CD2 3.93Å; T455-L538 HydrophobicContact CG2-CG 4.44Å; R456-L538 HydrophobicContact CG-CD2 4.22Å; V534-L538 PolarHBondContact O-N 3.35Å; D535-L538 WeakPolarHBondContact O-CB 3.23Å; D535-L538 PolarHBondContact O-N 2.93Å; K536-L538 VanDerWaalsContact C-N 3.32Å; L538-C540 VanDerWaalsContact C-N 3.3Å; L538-C540 PolarHBondContact O-N 3.46Å; L538-I541 WeakPolarHBondContact O-CB 3.46Å; L538-I541 PolarHBondContact O-N 2.99Å; L538-I542 HydrophobicContact CD1-CD1 4.42Å; L538-I542 HydrophobicContact CD2-CD1 4.45Å; L538-I542 HydrophobicContact CG-CD1 3.95Å; L538-I542 HydrophobicContact CG-CG1 4.47Å; L538-I542 WeakPolarHBondContact O-CG1 3.44Å; L538-I542 PolarHBondContact O-N 3.13Å; L538-L637 HydrophobicContact CB-CD1 4.43Å
539	E	92.1	Very high	88.9	Confident	75 Å²	75	46.8 Å²	46.8	35%	0.35	23%	0.225	S	C	.	.	H	α-helix	trans	-58.6	-40.6	177.3	-75.7	-62	143	0	0	112.1	D535 K536 I541 I542 Q543	D535-E539 PolarHBondContact O-N 3.34Å; K536-E539 PolarHBondContact O-N 3.23Å; E539-I541 VanDerWaalsContact C-N 3.32Å; E539-I541 PolarHBondContact O-N 3.28Å; E539-I542 PolarHBondContact O-N 2.93Å; E539-Q543 WeakPolarHBondContact O-CB 3.5Å; E539-Q543 VanDerWaalsContact O-CG 3.3Å; E539-Q543 WeakPolarHBondContact O-CG 3.36Å; E539-Q543 PolarHBondContact O-N 3.47Å
540	C	92.5	Very high	89.1	Confident	61 Å²	61	48 Å²	48	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-59.8	-40.4	173.8	-73.3	0	0	0	0	112.5	K536 S537 L538 R544 L633	K536-C540 PolarHBondContact O-N 2.88Å; K536-C540 PolarHBondContact O-SG 2.8Å; K536-C540 VanDerWaalsContact O-SG 3.36Å; S537-C540 PolarHBondContact O-N 2.92Å; L538-C540 VanDerWaalsContact C-N 3.3Å; L538-C540 PolarHBondContact O-N 3.46Å; C540-R544 VanDerWaalsContact O-CB 3.3Å; C540-R544 WeakPolarHBondContact O-CB 3.45Å; C540-R544 PolarHBondContact O-N 3.42Å; C540-L633 HydrophobicContact CB-CD2 4.14Å
541	I	92.6	Very high	88.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-66.4	-47	176.3	-66.8	162.4	0	0	0	110.3	L432 L448 S537 L538 E539 Q543 R544 V545 L633 L634 L637	L432-I541 HydrophobicContact CD2-CG2 3.89Å; L448-I541 HydrophobicContact CD1-CG2 3.81Å; S537-I541 WeakPolarHBondContact O-CG1 3.35Å; S537-I541 PolarHBondContact O-N 3.14Å; L538-I541 WeakPolarHBondContact O-CB 3.46Å; L538-I541 PolarHBondContact O-N 2.99Å; E539-I541 VanDerWaalsContact C-N 3.32Å; E539-I541 PolarHBondContact O-N 3.28Å; I541-Q543 PolarHBondContact O-N 2.95Å; I541-R544 PolarHBondContact O-N 2.89Å; I541-V545 HydrophobicContact CG2-CG2 4.21Å; I541-V545 WeakPolarHBondContact O-CB 3.36Å; I541-V545 WeakPolarHBondContact O-CG2 3.17Å; I541-V545 PolarHBondContact O-N 3.37Å; I541-L633 HydrophobicContact CG1-CB 3.67Å; I541-L634 HydrophobicContact CD1-CD2 3.92Å; I541-L634 HydrophobicContact CG2-CD2 4.44Å; I541-L637 HydrophobicContact CD1-CB 3.63Å; I541-L637 HydrophobicContact CD1-CD2 3.53Å; I541-L637 HydrophobicContact CD1-CG 4.12Å
542	I	92.9	Very high	88.5	Confident	31 Å²	31	56.4 Å²	56.4	16%	0.159	27%	0.266	C	S	.	.	H	α-helix	trans	-56.1	-52.9	178.8	-67.3	168	0	0	0	109.8	L448 A452 L538 E539 R544 V545 D546	L448-I542 HydrophobicContact CD1-CG1 3.97Å; L448-I542 HydrophobicContact CD2-CG1 4.27Å; L448-I542 HydrophobicContact CG-CG1 4.37Å; A452-I542 HydrophobicContact CB-CD1 4.28Å; L538-I542 HydrophobicContact CD1-CD1 4.42Å; L538-I542 HydrophobicContact CD2-CD1 4.45Å; L538-I542 HydrophobicContact CG-CD1 3.95Å; L538-I542 HydrophobicContact CG-CG1 4.47Å; L538-I542 WeakPolarHBondContact O-CG1 3.44Å; L538-I542 PolarHBondContact O-N 3.13Å; E539-I542 PolarHBondContact O-N 2.93Å; I542-R544 VanDerWaalsContact C-N 3.28Å; I542-R544 PolarHBondContact O-N 3.4Å; I542-V545 PolarHBondContact O-N 3.01Å; I542-D546 WeakPolarHBondContact O-CB 3.39Å; I542-D546 PolarHBondContact O-N 3Å
543	Q	91.8	Very high	88.1	Confident	106 Å²	106	60.6 Å²	60.6	50%	0.495	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-36.4	179	-69.5	177.4	20.6	0	0	112.8	E539 I541 K547	E539-Q543 WeakPolarHBondContact O-CB 3.5Å; E539-Q543 VanDerWaalsContact O-CG 3.3Å; E539-Q543 WeakPolarHBondContact O-CG 3.36Å; E539-Q543 PolarHBondContact O-N 3.47Å; I541-Q543 PolarHBondContact O-N 2.95Å; Q543-K547 WeakPolarHBondContact O-CB 3.37Å; Q543-K547 VanDerWaalsContact O-CG 3.29Å; Q543-K547 WeakPolarHBondContact O-CG 3.28Å; Q543-K547 PolarHBondContact O-N 3.46Å; Q543-K547 VanDerWaalsContact O-N 3.13Å
544	R	91.3	Very high	87	Confident	75 Å²	75	64.4 Å²	64.4	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-71.3	-42	179.5	-171.2	64.3	177	103.7	-6.8	111.6	C540 I541 I542 K547 L548 A629 L630 L633	C540-R544 VanDerWaalsContact O-CB 3.3Å; C540-R544 WeakPolarHBondContact O-CB 3.45Å; C540-R544 PolarHBondContact O-N 3.42Å; I541-R544 PolarHBondContact O-N 2.89Å; I542-R544 VanDerWaalsContact C-N 3.28Å; I542-R544 PolarHBondContact O-N 3.4Å; R544-K547 PolarHBondContact O-N 3Å; R544-L548 VanDerWaalsContact NH1-CD2 3.32Å; R544-L548 WeakPolarHBondContact O-CG 3.25Å; R544-L548 PolarHBondContact O-N 3.42Å; R544-A629 VanDerWaalsContact CZ-CB 3.5Å; R544-L630 HydrophobicContact CB-CD2 4.08Å; R544-L630 HydrophobicContact CG-CD2 3.84Å; R544-L633 HydrophobicContact CB-CD1 3.59Å; R544-L633 HydrophobicContact CG-CD1 3.77Å
545	V	90.6	Very high	85.4	Confident	0 Å²	0	72 Å²	72	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63	-46.8	175.3	165.5	0	0	0	0	110.5	L444 L448 I541 I542 K547 L548 L549 L630	L444-V545 HydrophobicContact CD2-CB 4.25Å; L444-V545 HydrophobicContact CD2-CG1 3.56Å; L444-V545 HydrophobicContact CD2-CG2 4.09Å; L444-V545 HydrophobicContact CG-CG1 4.03Å; L444-V545 HydrophobicContact CG-CG2 4.37Å; L448-V545 HydrophobicContact CD2-CB 3.72Å; L448-V545 HydrophobicContact CD2-CG1 3.5Å; L448-V545 VanDerWaalsContact CD2-CG1 3.5Å; L448-V545 HydrophobicContact CD2-CG2 4.14Å; I541-V545 HydrophobicContact CG2-CG2 4.21Å; I541-V545 WeakPolarHBondContact O-CB 3.36Å; I541-V545 WeakPolarHBondContact O-CG2 3.17Å; I541-V545 PolarHBondContact O-N 3.37Å; I542-V545 PolarHBondContact O-N 3.01Å; V545-K547 VanDerWaalsContact C-N 3.28Å; V545-K547 PolarHBondContact O-N 2.85Å; V545-L548 WeakPolarHBondContact O-CB 3.5Å; V545-L548 PolarHBondContact O-N 3.26Å; V545-L549 HydrophobicContact CG1-CD1 3.59Å; V545-L549 HydrophobicContact CG1-CG 4.21Å; V545-L549 WeakPolarHBondContact O-CG 3.45Å; V545-L549 PolarHBondContact O-N 2.87Å; V545-L630 HydrophobicContact CG2-CD1 4.1Å; V545-L630 HydrophobicContact CG2-CD2 3.68Å
546	D	90.1	Very high	83.6	Confident	73 Å²	73	72.7 Å²	72.7	39%	0.39	35%	0.352	S	S	.	.	H	α-helix	trans	-58.6	-41	177.4	-73.6	-19.3	0	0	0	111.7	I542 L548 L549 Q550	I542-D546 WeakPolarHBondContact O-CB 3.39Å; I542-D546 PolarHBondContact O-N 3Å; D546-L548 PolarHBondContact O-N 3.5Å; D546-L549 PolarHBondContact O-N 2.74Å; D546-Q550 VanDerWaalsContact O-CB 3.32Å; D546-Q550 WeakPolarHBondContact O-CB 3.48Å; D546-Q550 VanDerWaalsContact O-CG 3.22Å; D546-Q550 WeakPolarHBondContact O-CG 3.42Å; D546-Q550 PolarHBondContact O-N 2.88Å
547	K	87.8	Confident	81.3	Confident	118 Å²	118	75.1 Å²	75.1	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-64.7	-36.4	174.4	-76.2	174.9	-177.5	174.8	0	113.1	Q543 R544 V545 R551	Q543-K547 WeakPolarHBondContact O-CB 3.37Å; Q543-K547 VanDerWaalsContact O-CG 3.29Å; Q543-K547 WeakPolarHBondContact O-CG 3.28Å; Q543-K547 PolarHBondContact O-N 3.46Å; Q543-K547 VanDerWaalsContact O-N 3.13Å; R544-K547 PolarHBondContact O-N 3Å; V545-K547 VanDerWaalsContact C-N 3.28Å; V545-K547 PolarHBondContact O-N 2.85Å; K547-R551 WeakPolarHBondContact O-CG 3.46Å; K547-R551 PolarHBondContact O-N 2.88Å; K547-R551 VanDerWaalsContact O-N 3.11Å
548	L	86.8	Confident	78.8	Confident	7 Å²	7	77.7 Å²	77.7	4%	0.037	40%	0.395	C	S	.	.	H	α-helix	trans	-68.6	-45.5	176.5	-71.2	170.7	0	0	0	110.8	R544 V545 D546 R551 E552 W626 A629 L630	R544-L548 VanDerWaalsContact NH1-CD2 3.32Å; R544-L548 WeakPolarHBondContact O-CG 3.25Å; R544-L548 PolarHBondContact O-N 3.42Å; V545-L548 WeakPolarHBondContact O-CB 3.5Å; V545-L548 PolarHBondContact O-N 3.26Å; D546-L548 PolarHBondContact O-N 3.5Å; L548-R551 PolarHBondContact O-N 2.83Å; L548-E552 PolarHBondContact O-N 3.19Å; L548-W626 HydrophobicContact CD1-CB 4.5Å; L548-W626 HydrophobicContact CD1-CG 4.42Å; L548-W626 HydrophobicContact CD2-CG 4.29Å; L548-A629 HydrophobicContact CD1-CB 4.37Å; L548-L630 HydrophobicContact CD1-CD1 3.86Å; L548-L630 HydrophobicContact CD1-CD2 4.21Å; L548-L630 HydrophobicContact CD1-CG 3.85Å
549	L	86.7	Confident	76.1	Confident	4 Å²	4	83.2 Å²	83.2	2%	0.021	43%	0.432	C	S	.	.	H	α-helix	trans	-65.9	-38.3	177.6	-66.3	167.4	0	0	0	112	A441 L444 E445 V545 D546 E552 R553	A441-L549 HydrophobicContact CB-CD2 3.89Å; L444-L549 HydrophobicContact CD2-CD2 4.29Å; L444-L549 HydrophobicContact CD2-CG 4.31Å; E445-L549 HydrophobicContact CG-CD1 3.37Å; E445-L549 HydrophobicContact CG-CD2 4.16Å; E445-L549 HydrophobicContact CG-CG 4.41Å; V545-L549 HydrophobicContact CG1-CD1 3.59Å; V545-L549 HydrophobicContact CG1-CG 4.21Å; V545-L549 WeakPolarHBondContact O-CG 3.45Å; V545-L549 PolarHBondContact O-N 2.87Å; D546-L549 PolarHBondContact O-N 2.74Å; L549-E552 PolarHBondContact O-N 3.4Å; L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.33Å; L549-R553 PolarHBondContact O-N 3.19Å
550	Q	83.4	Confident	73.2	Confident	116 Å²	116	88.8 Å²	88.8	54%	0.542	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-42.5	173.4	-77.5	174.9	4.8	0	0	111.8	D546 E552 R553 L554	D546-Q550 VanDerWaalsContact O-CB 3.32Å; D546-Q550 WeakPolarHBondContact O-CB 3.48Å; D546-Q550 VanDerWaalsContact O-CG 3.22Å; D546-Q550 WeakPolarHBondContact O-CG 3.42Å; D546-Q550 PolarHBondContact O-N 2.88Å; Q550-E552 VanDerWaalsContact C-N 3.29Å; Q550-E552 PolarHBondContact O-N 3.34Å; Q550-R553 PolarHBondContact O-N 2.66Å; Q550-L554 WeakPolarHBondContact O-CB 3.47Å; Q550-L554 WeakPolarHBondContact O-CD1 3.44Å; Q550-L554 VanDerWaalsContact O-CG 3.25Å; Q550-L554 WeakPolarHBondContact O-CG 3.31Å; Q550-L554 PolarHBondContact O-N 3.38Å
551	R	79.4	Confident	70.5	Confident	155 Å²	155	93.3 Å²	93.3	59%	0.585	48%	0.478	S	S	*	.	H	α-helix	trans	-62.2	-36.6	175.7	-81.8	-175.2	179.4	-162.7	-1	112.5	K547 L548 H555	K547-R551 WeakPolarHBondContact O-CG 3.46Å; K547-R551 PolarHBondContact O-N 2.88Å; K547-R551 VanDerWaalsContact O-N 3.11Å; L548-R551 PolarHBondContact O-N 2.83Å; R551-H555 PolarHBondContact O-N 3.25Å; R551-H555 VanDerWaalsContact O-N 3.09Å; R551-H555 PolarHBondContact O-ND1 2.85Å
552	E	75.1	Confident	67.7	Low	68 Å²	68	99.2 Å²	99.2	32%	0.318	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-44.1	176.6	-169.2	-176.4	-150.3	0	0	112.1	A441 L548 L549 Q550 L554 H555 G556 W626	A441-E552 WeakPolarHBondContact CB-OE2 3.49Å; L548-E552 PolarHBondContact O-N 3.19Å; L549-E552 PolarHBondContact O-N 3.4Å; Q550-E552 VanDerWaalsContact C-N 3.29Å; Q550-E552 PolarHBondContact O-N 3.34Å; E552-L554 VanDerWaalsContact C-N 3.27Å; E552-L554 PolarHBondContact O-N 3.02Å; E552-H555 PolarHBondContact O-N 2.8Å; E552-H555 VanDerWaalsContact O-N 3.1Å; E552-G556 PolarHBondContact O-N 3.32Å; E552-W626 HydrophobicContact CB-CH2 4.45Å; E552-W626 HydrophobicContact CB-CZ2 4.03Å; E552-W626 VanDerWaalsContact CD-CH2 3.47Å; E552-W626 HydrophobicContact CG-CH2 4.41Å; E552-W626 HydrophobicContact CG-CZ2 4.16Å; E552-W626 VanDerWaalsContact OE2-CH2 3.27Å; E552-W626 WeakPolarHBondContact OE2-CH2 3.09Å
553	R	75.6	Confident	64.7	Low	150 Å²	150	107.2 Å²	107.2	57%	0.566	55%	0.548	S	S	*	.	H	α-helix	trans	-59.4	-39.5	174.6	-68.7	174.7	-153.1	-159.7	6.2	111.7	E445 L549 Q550 G556 E557	E445-R553 IonicContact OE1-CZ 3.86Å; E445-R553 IonicContact OE1-NH2 2.73Å; E445-R553 PolarHBondContact OE1-NH2 3.16Å; L549-R553 VanDerWaalsContact O-CG 3.3Å; L549-R553 WeakPolarHBondContact O-CG 3.33Å; L549-R553 PolarHBondContact O-N 3.19Å; Q550-R553 PolarHBondContact O-N 2.66Å; R553-G556 PolarHBondContact O-N 2.88Å; R553-E557 PolarHBondContact O-N 3.27Å
554	L	64.2	Low	62.8	Low	129 Å²	129	107.3 Å²	107.3	68%	0.675	56%	0.558	S	S	*	*	H	α-helix	trans	-70.2	-27.3	175.8	-70.1	166.4	0	0	0	113.7	Q550 E552	Q550-L554 WeakPolarHBondContact O-CB 3.47Å; Q550-L554 WeakPolarHBondContact O-CD1 3.44Å; Q550-L554 VanDerWaalsContact O-CG 3.25Å; Q550-L554 WeakPolarHBondContact O-CG 3.31Å; Q550-L554 PolarHBondContact O-N 3.38Å; E552-L554 VanDerWaalsContact C-N 3.27Å; E552-L554 PolarHBondContact O-N 3.02Å
555	H	56.7	Low	59.7	Low	159 Å²	159	110 Å²	110	74%	0.736	59%	0.587	S	S	*	*	H	α-helix	trans	-82.7	-19.4	172.4	-80.1	73.1	0	0	0	112.9	R551 E552	R551-H555 PolarHBondContact O-N 3.25Å; R551-H555 VanDerWaalsContact O-N 3.09Å; R551-H555 PolarHBondContact O-ND1 2.85Å; E552-H555 PolarHBondContact O-N 2.8Å; E552-H555 VanDerWaalsContact O-N 3.1Å
556	G	49.4	Very low	56.7	Low	67 Å²	67	115 Å²	115	69%	0.691	63%	0.628	S	S	*	*	H	α-helix	trans	-82	-22	176.6	0	0	0	0	0	115.1	E552 R553	E552-G556 PolarHBondContact O-N 3.32Å; R553-G556 PolarHBondContact O-N 2.88Å
557	E	42	Very low	53.6	Low	166 Å²	166	115.4 Å²	115.4	78%	0.776	65%	0.649	S	S	*	*	S	Bend	trans	-94.8	11.6	-179.6	-75.9	-176.4	154.4	0	0	114.1	R553 C559	R553-E557 PolarHBondContact O-N 3.27Å; E557-C559 VanDerWaalsContact C-N 3.28Å; E557-C559 PolarHBondContact O-N 3.21Å
558	G	40.2	Very low	50.7	Low	72 Å²	72	115 Å²	115	74%	0.742	66%	0.661	S	S	*	*			trans	-82.5	52.1	178.3	0	0	0	0	0	114.7
559	C	37.4	Very low	47.7	Very low	116 Å²	116	120.4 Å²	120.4	78%	0.784	70%	0.698	S	S	*	*			trans	-165.2	87.2	159.5	-162.9	0	0	0	0	110.5	E557	E557-C559 VanDerWaalsContact C-N 3.28Å; E557-C559 PolarHBondContact O-N 3.21Å
560	E	31.6	Very low	45.1	Very low	191 Å²	191	126.6 Å²	126.6	89%	0.893	74%	0.736	S	S	*	*			trans	-179.1	132.6	132	-82.5	-123.9	137.8	0	0	109.3
561	D	34.1	Very low	42.5	Very low	157 Å²	157	127.2 Å²	127.2	84%	0.84	75%	0.754	S	S	*	*			trans	-67.3	157.3	-179.7	-93.3	-44.9	0	0	0	113.8
562	V	33.6	Very low	40.2	Very low	123 Å²	123	129.4 Å²	129.4	75%	0.745	77%	0.767	S	S	*	*			trans	147.7	103.7	131.2	170.4	0	0	0	0	113.1
563	F	30.7	Very low	38	Very low	200 Å²	200	136.4 Å²	136.4	88%	0.877	80%	0.797	S	S	*	*			trans	53.4	149.7	145.5	-75.8	-89.8	0	0	0	125
564	P	52.5	Low	35.5	Very low	107 Å²	107	132.8 Å²	132.8	70%	0.695	81%	0.806	S	S	*	*			trans	-112	158.5	-163.8	40.3	-27.8	0	0	0	115.3
565	C	25.5	Very low	34	Very low	132 Å²	132	133 Å²	133	89%	0.892	81%	0.808	S	S	*	*			trans	-166.4	125.2	144.8	-109.3	0	0	0	0	115.5
566	A	27.8	Very low	32.9	Very low	106 Å²	106	130.9 Å²	130.9	88%	0.876	81%	0.808	S	S	*	*			trans	36.7	128.8	142.6	0	0	0	0	0	122.6
567	G	26.1	Very low	31.9	Very low	80 Å²	80	133.9 Å²	133.9	83%	0.825	81%	0.809	S	S	*	*			trans	164.9	89.1	155.9	0	0	0	0	0	115.6
568	S	26.4	Very low	31.2	Very low	109 Å²	109	131.3 Å²	131.3	76%	0.762	81%	0.809	S	S	*	*			trans	-30.5	139.3	165.4	165.8	0	0	0	0	116.5
569	C	23.6	Very low	30.6	Very low	121 Å²	121	135.6 Å²	135.6	82%	0.818	81%	0.809	S	S	*	*				-177.2	144.9	116.6	-97.3	0	0	0	0	114.4
570	T	32.5	Very low	30	Very low	135 Å²	135	133.6 Å²	133.6	83%	0.828	80%	0.801	S	S	*	*			trans	-61.3	147.2	-176.3	50.7	0	0	0	0	115.2
571	S	28.6	Very low	29.9	Very low	129 Å²	129	134.4 Å²	134.4	90%	0.902	80%	0.798	S	S	*	*			trans	-143.9	143.2	149.6	-150.9	0	0	0	0	113.5
572	K	29.8	Very low	29.7	Very low	200 Å²	200	137.9 Å²	137.9	87%	0.87	80%	0.799	S	S	*	*			trans	-80	147.2	-163.1	-77.9	168.3	170.3	172.8	0	112.9
573	K	28.9	Very low	29.5	Very low	216 Å²	216	139 Å²	139	94%	0.939	80%	0.799	S	S	*	*			trans	-48.3	131.9	163.4	-121.7	172.9	174.3	179.5	0	112.2
574	G	25.1	Very low	29.3	Very low	74 Å²	74	140.2 Å²	140.2	76%	0.763	80%	0.798	S	S	*	*			trans	-127.2	123	157.6	0	0	0	0	0	108.6
575	N	31.6	Very low	28.1	Very low	132 Å²	132	141.4 Å²	141.4	71%	0.706	81%	0.806	S	S	*	*			trans	-83.6	141.3	-176.7	-163.3	40.1	0	0	0	110.7	D577	N575-D577 PolarHBondContact ND2-OD2 2.96Å; N575-D577 VanDerWaalsContact ND2-OD2 3.1Å
576	P	32.8	Very low	28.2	Very low	115 Å²	115	144.2 Å²	144.2	75%	0.747	81%	0.806	S	S	*	*			trans	-120.9	102.3	155.6	32.1	-17	0	0	0	110.6
577	D	29.8	Very low	28.3	Very low	131 Å²	131	146.9 Å²	146.9	70%	0.701	81%	0.805	S	S	*	*			trans	-86.4	111.8	156.4	-81.5	-47.2	0	0	0	108	N575	N575-D577 PolarHBondContact ND2-OD2 2.96Å; N575-D577 VanDerWaalsContact ND2-OD2 3.1Å
578	S	26.8	Very low	28.6	Very low	112 Å²	112	148.4 Å²	148.4	78%	0.783	80%	0.801	S	S	*	*			trans	-159.1	100.2	158.8	-177.7	0	0	0	0	108.6	A580	S578-A580 PolarHBondContact O-N 2.76Å
579	H	27	Very low	28.6	Very low	161 Å²	161	151.6 Å²	151.6	75%	0.745	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-58	129.5	177.6	-78.7	-92.1	0	0	0	111.9
580	A	25.9	Very low	28.8	Very low	75 Å²	75	152.4 Å²	152.4	62%	0.62	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-83.7	128.5	167.4	0	0	0	0	0	109.4	S578	S578-A580 PolarHBondContact O-N 2.76Å
581	Y	29.9	Very low	28.5	Very low	208 Å²	208	152.5 Å²	152.5	82%	0.816	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-88.6	126.5	170.7	-76.4	-91.4	0	0	0	109.2
582	W	28.7	Very low	28.5	Very low	230 Å²	230	152.8 Å²	152.8	87%	0.871	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-97.2	134.6	175.4	-65.4	97	0	0	0	109.6
583	I	29.2	Very low	28.8	Very low	146 Å²	146	148.9 Å²	148.9	75%	0.749	79%	0.793	S	S	*	*			trans	-115.5	121.6	166.7	-60.1	177	0	0	0	107.4
584	R	26	Very low	28.6	Very low	225 Å²	225	144.5 Å²	144.5	85%	0.849	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-86.8	143.7	166.6	-80.6	-178.5	176.6	157.7	-1.3	108.9
585	P	28.6	Very low	28.6	Very low	133 Å²	133	146.3 Å²	146.3	86%	0.864	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-75.8	127.9	170	-2.4	19.8	0	0	0	109.8
586	E	27.6	Very low	29	Very low	191 Å²	191	145.7 Å²	145.7	89%	0.893	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-99.6	138.3	168	-71.4	-168.1	159.1	0	0	110.6
587	D	28.8	Very low	28.6	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-77.2	153.5	171.9	-81.1	-43.3	0	0	0	111.9
588	P	32.9	Very low	29.2	Very low	113 Å²	113	145.2 Å²	145.2	73%	0.734	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-91.2	125.9	-178.5	15.1	1.8	0	0	0	114.4
589	F	27.4	Very low	29.2	Very low	175 Å²	175	145 Å²	145	77%	0.768	80%	0.798	S	S	*	*			trans	51.1	123.4	145.7	-71.5	-80.8	0	0	0	122.4
590	C	26.6	Very low	29.2	Very low	138 Å²	138	143.7 Å²	143.7	93%	0.932	80%	0.801	S	S	*	*				-149.9	119.2	125.8	-91.5	0	0	0	0	110
591	D	26.5	Very low	29.4	Very low	137 Å²	137	148.1 Å²	148.1	73%	0.733	81%	0.812	S	S	*	*			trans	-94.6	159.6	176.5	-102.2	-39.6	0	0	0	112.1
592	V	29.7	Very low	29.9	Very low	136 Å²	136	143.4 Å²	143.4	82%	0.824	81%	0.806	S	S	*	*			trans	128.5	136.7	147.7	178	0	0	0	0	113.8
593	P	35.3	Very low	29.9	Very low	117 Å²	117	137.9 Å²	137.9	76%	0.76	80%	0.803	S	S	*	*				-116.5	168.5	-128.4	41.6	-34	0	0	0	114.5
594	S	24	Very low	29.8	Very low	124 Å²	124	135.1 Å²	135.1	87%	0.867	80%	0.802	S	S	*	*			trans	-155.9	141.5	151.3	44.8	0	0	0	0	112.9
595	S	26.3	Very low	30	Very low	113 Å²	113	128.7 Å²	128.7	79%	0.79	80%	0.797	S	S	*	*			trans	-133.8	165.9	160.5	66.5	0	0	0	0	106.4
596	P	38.4	Very low	29.9	Very low	119 Å²	119	128.4 Å²	128.4	77%	0.773	80%	0.797	S	S	*	*			cis	-131.7	178.2	6.2	32.1	-9.3	0	0	0	115.4
597	C	24.3	Very low	30	Very low	119 Å²	119	128.1 Å²	128.1	80%	0.804	80%	0.795	S	S	*	*			trans	-51.7	-171.9	179.2	-50.7	0	0	0	0	116.4
598	P	43.3	Very low	30.9	Very low	116 Å²	116	125.5 Å²	125.5	75%	0.753	79%	0.786	S	S	*	*			cis	-148.9	-169.7	10.4	39.4	-15.8	0	0	0	118.6
599	S	26.3	Very low	30.7	Very low	108 Å²	108	128.1 Å²	128.1	76%	0.755	79%	0.789	S	S	*	*			trans	95.3	135.6	156.9	78.2	0	0	0	0	115.6
600	T	27.7	Very low	30.8	Very low	133 Å²	133	126.7 Å²	126.7	82%	0.816	79%	0.788	S	S	*	*			cis	-162	144.1	23.7	-32.4	0	0	0	0	110.1
601	M	29.1	Very low	30.8	Very low	169 Å²	169	126 Å²	126	83%	0.833	78%	0.78	S	S	*	*			trans	-65.1	172.1	160.9	-84.5	-71.1	-165.6	0	0	110.7
602	P	41.3	Very low	30.9	Very low	109 Å²	109	125.3 Å²	125.3	71%	0.708	78%	0.781	S	S	*	*			cis	-158.4	176	40.5	43.5	-20.3	0	0	0	121.1
603	S	28.2	Very low	31.1	Very low	114 Å²	114	127.3 Å²	127.3	80%	0.797	78%	0.781	S	S	*	*			trans	76.5	145.8	140.7	-76.3	0	0	0	0	119.2
604	A	28.6	Very low	30.8	Very low	87 Å²	87	128 Å²	128	72%	0.719	79%	0.787	S	S	*	*			cis	-171.5	131.9	-0.6	0	0	0	0	0	105.2
605	A	29.2	Very low	31.3	Very low	91 Å²	91	127.6 Å²	127.6	75%	0.752	78%	0.784	S	S	*	*				98.4	135.5	82	0	0	0	0	0	115
606	C	27.3	Very low	31.8	Very low	127 Å²	127	127.6 Å²	127.6	86%	0.858	78%	0.782	S	S	*	*			trans	98.1	119	150.3	-61.4	0	0	0	0	121.1
607	H	29	Very low	31.7	Very low	185 Å²	185	127.2 Å²	127.2	86%	0.856	78%	0.779	S	S	*	*			trans	-64.9	-165.9	167.3	-57	-85.3	0	0	0	113.5
608	P	48.6	Very low	32.5	Very low	105 Å²	105	127.6 Å²	127.6	68%	0.682	78%	0.78	S	S	*	*			cis	-140.5	-172.7	-10.4	18.2	10.6	0	0	0	115.6
609	H	27.1	Very low	32.1	Very low	169 Å²	169	130.6 Å²	130.6	78%	0.782	78%	0.784	S	S	*	*			trans	109.3	136	143.2	-83.3	-66.3	0	0	0	123
610	L	30.5	Very low	32.8	Very low	144 Å²	144	134.6 Å²	134.6	75%	0.754	79%	0.791	S	S	*	*			trans	-57.5	147.4	177.3	-71.2	92.9	0	0	0	114.6
611	T	26.7	Very low	33.7	Very low	125 Å²	125	130.6 Å²	130.6	77%	0.767	77%	0.768	S	S	*	*				175.2	146.6	105.4	30.5	0	0	0	0	113.8
612	T	28.2	Very low	34.6	Very low	122 Å²	122	125.6 Å²	125.6	75%	0.748	75%	0.75	S	S	*	*			trans	76.3	108.4	147.4	40.4	0	0	0	0	123.2
613	H	33.5	Very low	34.9	Very low	178 Å²	178	125.1 Å²	125.1	82%	0.824	75%	0.747	S	S	*	*			trans	27.5	115.6	131.7	-77.6	-79.3	0	0	0	120.4
614	C	29.1	Very low	36.4	Very low	131 Å²	131	120.8 Å²	120.8	89%	0.885	72%	0.72	S	S	*	*			trans	-152.9	125.9	136.1	-99	0	0	0	0	108.6
615	S	34.4	Very low	38.5	Very low	115 Å²	115	120.1 Å²	120.1	80%	0.804	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-74.4	140.6	172.5	-48.9	0	0	0	0	110.3
616	P	36.2	Very low	41	Very low	114 Å²	114	116.6 Å²	116.6	74%	0.74	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-86.6	158.6	165.4	23.1	-9.9	0	0	0	111.8
617	P	36.4	Very low	43.7	Very low	111 Å²	111	111.5 Å²	111.5	72%	0.721	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-74.9	169.1	-177.8	33.5	-34.3	0	0	0	112	E619	P617-E619 PolarHBondContact O-N 2.85Å
618	P	41.7	Very low	46.3	Very low	127 Å²	127	109.5 Å²	109.5	83%	0.825	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-70.6	121.4	-173.3	29.2	-32.1	0	0	0	110.4	E620	P618-E620 PolarHBondContact O-N 3.36Å
619	E	36.3	Very low	48	Very low	179 Å²	179	105.4 Å²	105.4	84%	0.836	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-67.1	123.3	170.6	-73.6	-177.8	152	0	0	109.7	P617 S621	P617-E619 PolarHBondContact O-N 2.85Å; E619-S621 PolarHBondContact O-N 2.98Å
620	E	40.5	Very low	50.9	Low	191 Å²	191	97.4 Å²	97.4	89%	0.893	56%	0.564	S	S	*	*			trans	-61.5	114.8	163.8	-76	-176.8	155.6	0	0	108.8	P618 S622	P618-E620 PolarHBondContact O-N 3.36Å; E620-S622 PolarHBondContact O-N 2.89Å; E620-S622 VanDerWaalsContact O-N 3.08Å
621	S	45.1	Very low	53.7	Low	50 Å²	50	97.3 Å²	97.3	35%	0.35	56%	0.555	S	S	.	*			trans	-56.8	113.9	-179.8	59.5	0	0	0	0	111.6	R439 E619 E625	R439-S621 PolarHBondContact NH1-O 3.22Å; R439-S621 PolarHBondContact NH1-OG 3.27Å; R439-S621 VanDerWaalsContact NH2-CB 3.34Å; R439-S621 PolarHBondContact NH2-O 3.35Å; R439-S621 PolarHBondContact NH2-OG 3.37Å; E619-S621 PolarHBondContact O-N 2.98Å; S621-E625 WeakPolarHBondContact CA-OE1 3.29Å; S621-E625 VanDerWaalsContact CB-CD 3.44Å; S621-E625 WeakPolarHBondContact CB-OE1 3.37Å; S621-E625 WeakPolarHBondContact CB-OE2 3.31Å
622	S	48.9	Very low	56.7	Low	63 Å²	63	94.9 Å²	94.9	44%	0.441	54%	0.541	S	S	.	.			trans	-65.1	153.7	176.5	72.5	0	0	0	0	111.3	R439 E620 G624 E625	R439-S622 PolarHBondContact NH2-O 2.79Å; E620-S622 PolarHBondContact O-N 2.89Å; E620-S622 VanDerWaalsContact O-N 3.08Å; S622-G624 PolarHBondContact O-N 3.05Å; S622-E625 PolarHBondContact O-N 3.31Å
623	P	47.8	Very low	59.8	Low	99 Å²	99	91.3 Å²	91.3	64%	0.643	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-18.2	178.2	-24.4	32.3	0	0	0	114.6
624	G	59.4	Low	62.5	Low	24 Å²	24	83.3 Å²	83.3	25%	0.247	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-23.7	-179.7	0	0	0	0	0	115.8	S622 W626 S627 E628	S622-G624 PolarHBondContact O-N 3.05Å; G624-W626 PolarHBondContact O-N 2.93Å; G624-S627 PolarHBondContact O-N 2.82Å; G624-E628 WeakPolarHBondContact O-CB 3.18Å; G624-E628 WeakPolarHBondContact O-CG 3.25Å; G624-E628 PolarHBondContact O-N 3.39Å
625	E	73	Confident	65.4	Low	72 Å²	72	79.4 Å²	79.4	34%	0.336	45%	0.453	S	S	.	.	H	α-helix	trans	-60.1	-38.9	-167.8	-79.2	-173.5	-171.3	0	0	115	S621 S622 A629	S621-E625 WeakPolarHBondContact CA-OE1 3.29Å; S621-E625 VanDerWaalsContact CB-CD 3.44Å; S621-E625 WeakPolarHBondContact CB-OE1 3.37Å; S621-E625 WeakPolarHBondContact CB-OE2 3.31Å; S622-E625 PolarHBondContact O-N 3.31Å; E625-A629 WeakPolarHBondContact O-CB 3.37Å; E625-A629 PolarHBondContact O-N 3.18Å
626	W	81.8	Confident	68.2	Low	18 Å²	18	76.9 Å²	76.9	7%	0.068	43%	0.432	C	S	.	.	H	α-helix	trans	-71.1	-41.5	-179.5	-74.3	33	0	0	0	111.3	A436 R439 L444 L548 E552 G624 L630	A436-W626 HydrophobicContact CB-CB 4.27Å; A436-W626 WeakPolarHBondContact O-CB 3.35Å; R439-W626 HydrophobicContact CG-CD2 4.3Å; R439-W626 HydrophobicContact CG-CG 4.49Å; L444-W626 HydrophobicContact CD2-CE3 4.21Å; L444-W626 HydrophobicContact CD2-CZ3 4.05Å; L548-W626 HydrophobicContact CD1-CB 4.5Å; L548-W626 HydrophobicContact CD1-CG 4.42Å; L548-W626 HydrophobicContact CD2-CG 4.29Å; E552-W626 HydrophobicContact CB-CH2 4.45Å; E552-W626 HydrophobicContact CB-CZ2 4.03Å; E552-W626 VanDerWaalsContact CD-CH2 3.47Å; E552-W626 HydrophobicContact CG-CH2 4.41Å; E552-W626 HydrophobicContact CG-CZ2 4.16Å; E552-W626 VanDerWaalsContact OE2-CH2 3.27Å; E552-W626 WeakPolarHBondContact OE2-CH2 3.09Å; G624-W626 PolarHBondContact O-N 2.93Å; W626-L630 WeakPolarHBondContact O-CG 3.41Å; W626-L630 PolarHBondContact O-N 3.31Å
627	S	83.1	Confident	70.8	Confident	19 Å²	19	71.4 Å²	71.4	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-67.2	-44.8	177	-177.1	0	0	0	0	110.9	K437 G624 A629 L630 Y631	K437-S627 WeakPolarHBondContact CG-OG 3.28Å; G624-S627 PolarHBondContact O-N 2.82Å; S627-A629 VanDerWaalsContact C-N 3.29Å; S627-A629 PolarHBondContact O-N 3.44Å; S627-L630 PolarHBondContact O-N 2.92Å; S627-Y631 WeakPolarHBondContact O-CB 3.46Å; S627-Y631 PolarHBondContact O-N 3.24Å
628	E	83.9	Confident	73.5	Confident	143 Å²	143	68.1 Å²	68.1	67%	0.668	38%	0.375	S	S	*	.	H	α-helix	trans	-64.6	-34.4	178.2	-72.9	-174.4	173.6	0	0	112.3	G624 P632	G624-E628 WeakPolarHBondContact O-CB 3.18Å; G624-E628 WeakPolarHBondContact O-CG 3.25Å; G624-E628 PolarHBondContact O-N 3.39Å; E628-P632 WeakPolarHBondContact O-CD 3.28Å
629	A	84.3	Confident	75.8	Confident	19 Å²	19	66.6 Å²	66.6	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-69.7	-36.7	176.6	0	0	0	0	0	114.4	R544 L548 E625 S627	R544-A629 VanDerWaalsContact CZ-CB 3.5Å; L548-A629 HydrophobicContact CD1-CB 4.37Å; E625-A629 WeakPolarHBondContact O-CB 3.37Å; E625-A629 PolarHBondContact O-N 3.18Å; S627-A629 VanDerWaalsContact C-N 3.29Å; S627-A629 PolarHBondContact O-N 3.44Å
630	L	89	Confident	78.4	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-95.9	-27.6	-173.4	-70.6	172.8	0	0	0	113.1	A436 L444 R544 V545 L548 W626 S627 L633 L634	A436-L630 HydrophobicContact CB-CD1 3.72Å; L444-L630 HydrophobicContact CD1-CD1 4.07Å; L444-L630 HydrophobicContact CD2-CD1 4.46Å; R544-L630 HydrophobicContact CB-CD2 4.08Å; R544-L630 HydrophobicContact CG-CD2 3.84Å; V545-L630 HydrophobicContact CG2-CD1 4.1Å; V545-L630 HydrophobicContact CG2-CD2 3.68Å; L548-L630 HydrophobicContact CD1-CD1 3.86Å; L548-L630 HydrophobicContact CD1-CD2 4.21Å; L548-L630 HydrophobicContact CD1-CG 3.85Å; W626-L630 WeakPolarHBondContact O-CG 3.41Å; W626-L630 PolarHBondContact O-N 3.31Å; S627-L630 PolarHBondContact O-N 2.92Å; L630-L633 PolarHBondContact O-N 3.27Å; L630-L633 VanDerWaalsContact O-N 3.17Å; L630-L634 HydrophobicContact CB-CD1 4.13Å; L630-L634 WeakPolarHBondContact O-CG 3.22Å; L630-L634 PolarHBondContact O-N 3.05Å
631	Y	88.1	Confident	80.8	Confident	143 Å²	143	50 Å²	50	56%	0.561	29%	0.285	S	S	*	.	H	α-helix	trans	-55.7	-48.3	-175.1	-177.7	-94.6	0	0	0	113.5	S627 L633 L634 T635	S627-Y631 WeakPolarHBondContact O-CB 3.46Å; S627-Y631 PolarHBondContact O-N 3.24Å; Y631-L633 VanDerWaalsContact C-N 3.33Å; Y631-L633 PolarHBondContact O-N 3.38Å; Y631-L634 PolarHBondContact O-N 2.9Å; Y631-T635 PolarHBondContact O-N 2.82Å; Y631-T635 PolarHBondContact O-OG1 3.1Å
632	P	91.1	Very high	83	Confident	74 Å²	74	49.2 Å²	49.2	48%	0.481	28%	0.281	S	S	.	.	H	α-helix	trans	-60.8	-41.2	177.8	-22.7	34.4	0	0	0	112.8	E628 T635 T636	E628-P632 WeakPolarHBondContact O-CD 3.28Å; P632-T635 PolarHBondContact O-N 2.81Å; P632-T636 PolarHBondContact O-N 2.82Å; P632-T636 PolarHBondContact O-OG1 3.18Å
633	L	91.4	Very high	84.9	Confident	47 Å²	47	51 Å²	51	25%	0.246	28%	0.283	C	S	.	.	H	α-helix	trans	-68.5	-40	-179	-62	175.7	0	0	0	112.1	C540 I541 R544 L630 Y631 T636 L637	C540-L633 HydrophobicContact CB-CD2 4.14Å; I541-L633 HydrophobicContact CG1-CB 3.67Å; R544-L633 HydrophobicContact CB-CD1 3.59Å; R544-L633 HydrophobicContact CG-CD1 3.77Å; L630-L633 PolarHBondContact O-N 3.27Å; L630-L633 VanDerWaalsContact O-N 3.17Å; Y631-L633 VanDerWaalsContact C-N 3.33Å; Y631-L633 PolarHBondContact O-N 3.38Å; L633-T636 PolarHBondContact O-N 3.29Å; L633-L637 PolarHBondContact O-N 2.93Å
634	L	91	Very high	86.9	Confident	9 Å²	9	46.3 Å²	46.3	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-38.1	176.7	-71.9	169.8	0	0	0	111.8	A429 L432 L451 I541 L630 Y631 T638	A429-L634 HydrophobicContact CB-CD2 4.02Å; L432-L634 HydrophobicContact CB-CD1 4.48Å; L432-L634 HydrophobicContact CB-CD2 4.44Å; L432-L634 HydrophobicContact CD2-CD2 3.83Å; L451-L634 HydrophobicContact CD2-CD2 4.15Å; I541-L634 HydrophobicContact CD1-CD2 3.92Å; I541-L634 HydrophobicContact CG2-CD2 4.44Å; L630-L634 HydrophobicContact CB-CD1 4.13Å; L630-L634 WeakPolarHBondContact O-CG 3.22Å; L630-L634 PolarHBondContact O-N 3.05Å; Y631-L634 PolarHBondContact O-N 2.9Å; L634-T638 WeakPolarHBondContact O-CB 3.33Å; L634-T638 PolarHBondContact O-N 2.9Å; L634-T638 PolarHBondContact O-OG1 3.1Å
635	T	90.3	Very high	88.4	Confident	50 Å²	50	45.3 Å²	45.3	31%	0.307	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-49.6	172.3	-57	0	0	0	0	110.4	Y631 P632 L637 T638 D639	Y631-T635 PolarHBondContact O-N 2.82Å; Y631-T635 PolarHBondContact O-OG1 3.1Å; P632-T635 PolarHBondContact O-N 2.81Å; T635-L637 PolarHBondContact O-N 3.24Å; T635-T638 WeakPolarHBondContact O-CA 3.39Å; T635-T638 WeakPolarHBondContact O-CB 3.07Å; T635-T638 PolarHBondContact O-N 2.74Å; T635-D639 VanDerWaalsContact O-CG 3.3Å; T635-D639 PolarHBondContact O-N 2.91Å
636	T	92.1	Very high	89.2	Confident	61 Å²	61	44.9 Å²	44.9	37%	0.374	24%	0.242	S	C	.	.	H	α-helix	trans	-57.7	-44.9	176.8	-56.9	0	0	0	0	112.5	P632 L633 T638 D639 C640	P632-T636 PolarHBondContact O-N 2.82Å; P632-T636 PolarHBondContact O-OG1 3.18Å; L633-T636 PolarHBondContact O-N 3.29Å; T636-T638 VanDerWaalsContact C-N 3.3Å; T636-T638 PolarHBondContact O-N 3.13Å; T636-D639 PolarHBondContact O-N 2.98Å; T636-C640 WeakPolarHBondContact O-CB 3.27Å; T636-C640 PolarHBondContact O-N 3.33Å; T636-C640 PolarHBondContact O-SG 3.46Å
637	L	91.8	Very high	89.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.5	-45.1	174.8	174.6	67.5	0	0	0	111.1	V425 L451 T455 V534 L538 I541 L633 T635 D639 C640 V641	V425-L637 HydrophobicContact CG1-CD2 4.45Å; L451-L637 HydrophobicContact CD1-CD2 4.21Å; L451-L637 HydrophobicContact CD2-CD2 4.09Å; L451-L637 HydrophobicContact CG-CD2 4.33Å; T455-L637 HydrophobicContact CG2-CD1 4.06Å; V534-L637 HydrophobicContact CG1-CD1 4.15Å; L538-L637 HydrophobicContact CB-CD1 4.43Å; I541-L637 HydrophobicContact CD1-CB 3.63Å; I541-L637 HydrophobicContact CD1-CD2 3.53Å; I541-L637 HydrophobicContact CD1-CG 4.12Å; L633-L637 PolarHBondContact O-N 2.93Å; T635-L637 PolarHBondContact O-N 3.24Å; L637-D639 VanDerWaalsContact C-N 3.33Å; L637-D639 PolarHBondContact O-N 3.42Å; L637-C640 PolarHBondContact O-N 2.76Å; L637-V641 HydrophobicContact CD1-CG2 4.02Å; L637-V641 HydrophobicContact CG-CG2 4.35Å; L637-V641 VanDerWaalsContact O-CB 3.31Å; L637-V641 WeakPolarHBondContact O-CB 3.15Å; L637-V641 WeakPolarHBondContact O-CG2 3.29Å; L637-V641 PolarHBondContact O-N 3.46Å
638	T	92.1	Very high	89.8	Confident	42 Å²	42	45.5 Å²	45.5	26%	0.258	24%	0.243	S	C	.	.	H	α-helix	trans	-63.1	-40.6	-179.6	-55.8	0	0	0	0	111.2	L634 T635 T636 V641 A642	L634-T638 WeakPolarHBondContact O-CB 3.33Å; L634-T638 PolarHBondContact O-N 2.9Å; L634-T638 PolarHBondContact O-OG1 3.1Å; T635-T638 WeakPolarHBondContact O-CA 3.39Å; T635-T638 WeakPolarHBondContact O-CB 3.07Å; T635-T638 PolarHBondContact O-N 2.74Å; T636-T638 VanDerWaalsContact C-N 3.3Å; T636-T638 PolarHBondContact O-N 3.13Å; T638-V641 PolarHBondContact O-N 2.93Å; T638-A642 VanDerWaalsContact O-CB 3.27Å; T638-A642 WeakPolarHBondContact O-CB 3.37Å; T638-A642 PolarHBondContact O-N 2.81Å
639	D	90.7	Very high	90.1	Very high	95 Å²	95	40.6 Å²	40.6	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-67.3	-45.9	177.3	-65.4	-23.3	0	0	0	111.8	T635 T636 L637 V641 A642 M643	T635-D639 VanDerWaalsContact O-CG 3.3Å; T635-D639 PolarHBondContact O-N 2.91Å; T636-D639 PolarHBondContact O-N 2.98Å; L637-D639 VanDerWaalsContact C-N 3.33Å; L637-D639 PolarHBondContact O-N 3.42Å; D639-V641 VanDerWaalsContact C-N 3.34Å; D639-V641 PolarHBondContact O-N 3.38Å; D639-A642 PolarHBondContact O-N 3.49Å; D639-M643 WeakPolarHBondContact O-CB 3.34Å; D639-M643 PolarHBondContact O-N 3.41Å
640	C	90.9	Very high	90.4	Very high	22 Å²	22	42 Å²	42	15%	0.149	22%	0.222	C	C	.	.	H	α-helix	trans	-60.7	-43.5	175.5	-69	0	0	0	0	111.5	V534 T636 L637 M643 M644	V534-C640 HydrophobicContact CG2-CB 3.81Å; T636-C640 WeakPolarHBondContact O-CB 3.27Å; T636-C640 PolarHBondContact O-N 3.33Å; T636-C640 PolarHBondContact O-SG 3.46Å; L637-C640 PolarHBondContact O-N 2.76Å; C640-M643 PolarHBondContact O-N 3.4Å; C640-M644 WeakPolarHBondContact O-CB 3.17Å; C640-M644 PolarHBondContact O-N 3.33Å
641	V	91.8	Very high	90.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.3	-40.9	176.5	165.3	0	0	0	0	111	K422 V425 L458 V534 L637 T638 D639 S645	K422-V641 HydrophobicContact CB-CG1 4.47Å; K422-V641 HydrophobicContact CG-CG1 4.18Å; V425-V641 HydrophobicContact CG1-CG1 4.34Å; V425-V641 HydrophobicContact CG1-CG2 4.07Å; L458-V641 HydrophobicContact CD2-CG1 3.67Å; L458-V641 HydrophobicContact CD2-CG2 4.28Å; V534-V641 HydrophobicContact CG1-CG2 3.69Å; V534-V641 HydrophobicContact CG2-CG2 4.23Å; L637-V641 HydrophobicContact CD1-CG2 4.02Å; L637-V641 HydrophobicContact CG-CG2 4.35Å; L637-V641 VanDerWaalsContact O-CB 3.31Å; L637-V641 WeakPolarHBondContact O-CB 3.15Å; L637-V641 WeakPolarHBondContact O-CG2 3.29Å; L637-V641 PolarHBondContact O-N 3.46Å; T638-V641 PolarHBondContact O-N 2.93Å; D639-V641 VanDerWaalsContact C-N 3.34Å; D639-V641 PolarHBondContact O-N 3.38Å; V641-S645 VanDerWaalsContact O-CB 3.24Å; V641-S645 WeakPolarHBondContact O-CB 3.33Å; V641-S645 PolarHBondContact O-N 3.04Å; V641-S645 PolarHBondContact O-OG 3.34Å
642	A	90.3	Very high	90.5	Very high	33 Å²	33	35.1 Å²	35.1	27%	0.273	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-47	176.7	0	0	0	0	0	111.5	T638 D639 S645 D646	T638-A642 VanDerWaalsContact O-CB 3.27Å; T638-A642 WeakPolarHBondContact O-CB 3.37Å; T638-A642 PolarHBondContact O-N 2.81Å; D639-A642 PolarHBondContact O-N 3.49Å; A642-S645 PolarHBondContact O-N 2.79Å; A642-D646 VanDerWaalsContact O-CB 3.29Å; A642-D646 WeakPolarHBondContact O-CB 3.11Å; A642-D646 PolarHBondContact O-N 3.09Å
643	M	89.3	Confident	90.4	Very high	100 Å²	100	32 Å²	32	49%	0.493	18%	0.175	S	C	.	.	H	α-helix	trans	-61.3	-49.2	177.5	-175.3	-156.4	-64.9	0	0	111.9	V530 D639 C640 S645 D646 K647	V530-M643 HydrophobicContact CG1-SD 4.3Å; D639-M643 WeakPolarHBondContact O-CB 3.34Å; D639-M643 PolarHBondContact O-N 3.41Å; C640-M643 PolarHBondContact O-N 3.4Å; M643-S645 VanDerWaalsContact C-N 3.34Å; M643-S645 PolarHBondContact O-N 2.79Å; M643-D646 PolarHBondContact O-N 3.49Å; M643-K647 PolarHBondContact O-N 2.86Å
644	M	89.6	Confident	90.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-59.7	-46.1	177.9	179.5	-175.3	63.6	0	0	111.1	L458 C462 W527 V530 W531 V534 C640 D646 A648	L458-M644 HydrophobicContact CD1-CE 4.29Å; L458-M644 HydrophobicContact CD2-CE 3.34Å; L458-M644 HydrophobicContact CG-CE 3.43Å; L458-M644 VanDerWaalsContact CG-CE 3.43Å; C462-M644 HydrophobicContact CB-SD 4.08Å; W527-M644 HydrophobicContact CH2-CG 3.65Å; W527-M644 HydrophobicContact CZ3-CG 4.12Å; V530-M644 HydrophobicContact CG1-CB 4.1Å; V530-M644 HydrophobicContact CG1-CG 4.47Å; W531-M644 HydrophobicContact CB-CG 4.26Å; W531-M644 HydrophobicContact CB-SD 3.37Å; W531-M644 WeakPolarHBondContact CB-SD 3.4Å; V534-M644 HydrophobicContact CB-SD 4.49Å; V534-M644 HydrophobicContact CG1-CE 4.39Å; V534-M644 HydrophobicContact CG2-CB 4.16Å; V534-M644 HydrophobicContact CG2-CE 3.93Å; V534-M644 HydrophobicContact CG2-SD 3.9Å; C640-M644 WeakPolarHBondContact O-CB 3.17Å; C640-M644 PolarHBondContact O-N 3.33Å; M644-D646 PolarHBondContact O-N 3.35Å; M644-A648 VanDerWaalsContact O-CB 3.26Å; M644-A648 WeakPolarHBondContact O-CB 3.47Å; M644-A648 PolarHBondContact O-N 3.47Å
645	S	90.5	Very high	90	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-39.8	179.3	-58	0	0	0	0	111.9	V641 A642 M643 K649	V641-S645 VanDerWaalsContact O-CB 3.24Å; V641-S645 WeakPolarHBondContact O-CB 3.33Å; V641-S645 PolarHBondContact O-N 3.04Å; V641-S645 PolarHBondContact O-OG 3.34Å; A642-S645 PolarHBondContact O-N 2.79Å; M643-S645 VanDerWaalsContact C-N 3.34Å; M643-S645 PolarHBondContact O-N 2.79Å; S645-K649 WeakPolarHBondContact O-CB 3.32Å; S645-K649 PolarHBondContact O-N 2.81Å
646	D	89.6	Confident	89.8	Confident	64 Å²	64	28.8 Å²	28.8	34%	0.342	16%	0.156	S	C	.	.	H	α-helix	trans	-64.3	-50.1	177.8	-178.1	68.2	0	0	0	111.6	A642 M643 M644 A648 K649 K650	A642-D646 VanDerWaalsContact O-CB 3.29Å; A642-D646 WeakPolarHBondContact O-CB 3.11Å; A642-D646 PolarHBondContact O-N 3.09Å; M643-D646 PolarHBondContact O-N 3.49Å; M644-D646 PolarHBondContact O-N 3.35Å; D646-A648 VanDerWaalsContact C-N 3.3Å; D646-A648 PolarHBondContact O-N 3.19Å; D646-K649 PolarHBondContact O-N 3.39Å; D646-K650 VanDerWaalsContact CG-CE 3.48Å; D646-K650 WeakPolarHBondContact O-CB 3.48Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.19Å; D646-K650 WeakPolarHBondContact OD1-CE 3.43Å; D646-K650 IonicContact OD1-NZ 2.69Å; D646-K650 PolarHBondContact OD1-NZ 2.91Å; D646-K650 WeakPolarHBondContact OD2-CE 3.31Å; D646-K650 IonicContact OD2-NZ 3.26Å; D646-K650 PolarHBondContact OD2-NZ 2.75Å
647	K	88.9	Confident	89.5	Confident	50 Å²	50	25.9 Å²	25.9	22%	0.217	14%	0.138	C	C	.	.	H	α-helix	trans	-60.2	-42.2	177	-168.1	170.1	-176.1	176.3	0	111.2	E525 W527 V530 M643 A651	E525-K647 PolarHBondContact O-NZ 3.38Å; W527-K647 HydrophobicContact CE3-CD 4.07Å; W527-K647 HydrophobicContact CE3-CG 4.44Å; W527-K647 HydrophobicContact CZ3-CB 4.16Å; W527-K647 HydrophobicContact CZ3-CD 4.13Å; W527-K647 HydrophobicContact CZ3-CG 4.2Å; V530-K647 HydrophobicContact CG2-CD 4.27Å; M643-K647 PolarHBondContact O-N 2.86Å; K647-A651 WeakPolarHBondContact O-CB 3.13Å; K647-A651 PolarHBondContact O-N 3.48Å; K647-A651 VanDerWaalsContact O-N 3.16Å
648	A	89.4	Confident	88.9	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-45.9	178.2	0	0	0	0	0	112.9	I418 L467 W527 M644 D646 A651 M652	I418-A648 HydrophobicContact CD1-CB 3.58Å; L467-A648 HydrophobicContact CD1-CB 3.97Å; L467-A648 HydrophobicContact CD2-CB 3.71Å; L467-A648 HydrophobicContact CG-CB 4.41Å; W527-A648 HydrophobicContact CH2-CB 3.9Å; W527-A648 HydrophobicContact CZ2-CB 4.42Å; M644-A648 VanDerWaalsContact O-CB 3.26Å; M644-A648 WeakPolarHBondContact O-CB 3.47Å; M644-A648 PolarHBondContact O-N 3.47Å; D646-A648 VanDerWaalsContact C-N 3.3Å; D646-A648 PolarHBondContact O-N 3.19Å; A648-A651 PolarHBondContact O-N 2.96Å; A648-M652 WeakPolarHBondContact O-CG 3.11Å; A648-M652 PolarHBondContact O-N 3.48Å
649	K	90.5	Very high	88.1	Confident	40 Å²	40	28 Å²	28	17%	0.174	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-48.5	178.8	-173.2	-175.1	178.5	-166.1	0	110.6	E276 I415 S645 D646 A651 M652 V653	E276-K649 WeakPolarHBondContact OE1-CE 3.26Å; E276-K649 IonicContact OE1-NZ 3.43Å; E276-K649 PolarHBondContact OE1-NZ 3.26Å; I415-K649 HydrophobicContact CG2-CG 4.48Å; S645-K649 WeakPolarHBondContact O-CB 3.32Å; S645-K649 PolarHBondContact O-N 2.81Å; D646-K649 PolarHBondContact O-N 3.39Å; K649-A651 VanDerWaalsContact C-N 3.32Å; K649-A651 PolarHBondContact O-N 2.78Å; K649-M652 PolarHBondContact O-N 2.72Å; K649-V653 HydrophobicContact CG-CG2 4.3Å; K649-V653 VanDerWaalsContact O-CG2 3.3Å; K649-V653 WeakPolarHBondContact O-CG2 3.44Å; K649-V653 PolarHBondContact O-N 2.89Å
650	K	90.1	Very high	87.1	Confident	47 Å²	47	24.8 Å²	24.8	20%	0.204	13%	0.131	C	C	.	.	H	α-helix	trans	-58.5	-42.9	178.1	-72.7	173.1	-177.6	170.8	0	112.1	E279 L280 L474 D646 V653 F654	E279-K650 WeakPolarHBondContact O-CE 3.41Å; L280-K650 HydrophobicContact CD2-CB 4.11Å; L280-K650 WeakPolarHBondContact CD2-O 3.49Å; L474-K650 HydrophobicContact CD2-CB 3.85Å; D646-K650 VanDerWaalsContact CG-CE 3.48Å; D646-K650 WeakPolarHBondContact O-CB 3.48Å; D646-K650 WeakPolarHBondContact O-CG 3.28Å; D646-K650 PolarHBondContact O-N 3.19Å; D646-K650 WeakPolarHBondContact OD1-CE 3.43Å; D646-K650 IonicContact OD1-NZ 2.69Å; D646-K650 PolarHBondContact OD1-NZ 2.91Å; D646-K650 WeakPolarHBondContact OD2-CE 3.31Å; D646-K650 IonicContact OD2-NZ 3.26Å; D646-K650 PolarHBondContact OD2-NZ 2.75Å; K650-V653 PolarHBondContact O-N 2.72Å; K650-F654 WeakPolarHBondContact O-CB 3.5Å; K650-F654 PolarHBondContact O-N 3.3Å
651	A	88.8	Confident	86.1	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-43.3	176.4	0	0	0	0	0	112.8	L467 I471 L474 K647 A648 K649 F654 L655	L467-A651 HydrophobicContact CD1-CB 4.1Å; I471-A651 HydrophobicContact CB-CB 4.24Å; I471-A651 HydrophobicContact CG1-CB 3.37Å; L474-A651 HydrophobicContact CD2-CB 4.42Å; K647-A651 WeakPolarHBondContact O-CB 3.13Å; K647-A651 PolarHBondContact O-N 3.48Å; K647-A651 VanDerWaalsContact O-N 3.16Å; A648-A651 PolarHBondContact O-N 2.96Å; K649-A651 VanDerWaalsContact C-N 3.32Å; K649-A651 PolarHBondContact O-N 2.78Å; A651-F654 PolarHBondContact O-N 2.81Å; A651-L655 PolarHBondContact O-N 3.23Å
652	M	90.1	Very high	85.2	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.1	-40.2	176.1	-70.2	-66.3	118	0	0	112.3	A411 I414 I415 L466 L467 S470 A648 K649 F654 L655 L656	A411-M652 VanDerWaalsContact CA-SD 3.56Å; A411-M652 HydrophobicContact CB-SD 3.5Å; A411-M652 VanDerWaalsContact CB-SD 3.5Å; I414-M652 HydrophobicContact CB-SD 4.45Å; I414-M652 HydrophobicContact CD1-SD 4.23Å; I414-M652 HydrophobicContact CG2-CG 4.1Å; I414-M652 HydrophobicContact CG2-SD 4.39Å; I415-M652 HydrophobicContact CD1-CB 3.6Å; I415-M652 HydrophobicContact CG1-CB 3.55Å; I415-M652 HydrophobicContact CG1-CG 4.14Å; L466-M652 HydrophobicContact CG-CE 4.22Å; L467-M652 HydrophobicContact CB-CE 3.82Å; L467-M652 HydrophobicContact CD1-CE 3.3Å; L467-M652 HydrophobicContact CD1-CG 3.93Å; L467-M652 HydrophobicContact CD1-SD 4.39Å; L467-M652 HydrophobicContact CG-CE 4.17Å; S470-M652 WeakPolarHBondContact OG-CE 3.42Å; A648-M652 WeakPolarHBondContact O-CG 3.11Å; A648-M652 PolarHBondContact O-N 3.48Å; K649-M652 PolarHBondContact O-N 2.72Å; M652-F654 VanDerWaalsContact C-N 3.31Å; M652-F654 PolarHBondContact O-N 2.99Å; M652-L655 WeakPolarHBondContact O-CB 3.37Å; M652-L655 PolarHBondContact O-N 3.12Å; M652-L656 WeakPolarHBondContact O-CG 3.43Å; M652-L656 PolarHBondContact O-N 3.05Å
653	V	89.4	Confident	84.8	Confident	10 Å²	10	27 Å²	27	6%	0.061	14%	0.143	C	C	.	.	H	α-helix	trans	-62.4	-40.4	174.4	171.7	0	0	0	0	110.6	E276 L277 L280 I415 K649 K650 L655 L656 M657	E276-V653 HydrophobicContact CB-CG1 4.48Å; E276-V653 HydrophobicContact CB-CG2 4.46Å; L277-V653 HydrophobicContact CD2-CG1 4.08Å; L280-V653 HydrophobicContact CD1-CG1 4.25Å; L280-V653 HydrophobicContact CD2-CB 4.08Å; L280-V653 HydrophobicContact CD2-CG1 3.95Å; L280-V653 HydrophobicContact CG-CG1 4.21Å; I415-V653 HydrophobicContact CD1-CG2 4.29Å; K649-V653 HydrophobicContact CG-CG2 4.3Å; K649-V653 VanDerWaalsContact O-CG2 3.3Å; K649-V653 WeakPolarHBondContact O-CG2 3.44Å; K649-V653 PolarHBondContact O-N 2.89Å; K650-V653 PolarHBondContact O-N 2.72Å; V653-L655 VanDerWaalsContact C-N 3.34Å; V653-L655 PolarHBondContact O-N 2.95Å; V653-L656 PolarHBondContact O-N 3.35Å; V653-M657 WeakPolarHBondContact O-CB 3.32Å; V653-M657 PolarHBondContact O-N 3.1Å
654	F	88.4	Confident	84.7	Confident	1 Å²	1	22.4 Å²	22.4	0%	0.004	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-37.6	174.9	-177.9	-110.4	0	0	0	112.7	L280 L283 W287 G473 L474 A477 K650 A651 M652 M657 Q658	L280-F654 HydrophobicContact CD1-CD2 4.46Å; L280-F654 HydrophobicContact CD2-CB 4.11Å; L283-F654 HydrophobicContact CD2-CD2 4.49Å; L283-F654 HydrophobicContact CD2-CE2 4.34Å; W287-F654 HydrophobicContact CB-CE2 4.49Å; W287-F654 HydrophobicContact CD2-CE2 4.01Å; W287-F654 AromaticContact CD2-CZ 3.85Å; W287-F654 HydrophobicContact CD2-CZ 3.85Å; W287-F654 AromaticContact CE2-CZ 3.9Å; W287-F654 HydrophobicContact CE3-CE2 4.1Å; W287-F654 HydrophobicContact CE3-CZ 4.1Å; W287-F654 HydrophobicContact CG-CE2 4.19Å; W287-F654 HydrophobicContact CG-CZ 4.27Å; W287-F654 HydrophobicContact CH2-CZ 4.44Å; W287-F654 HydrophobicContact CZ2-CZ 4.2Å; W287-F654 HydrophobicContact CZ3-CZ 4.41Å; G473-F654 WeakPolarHBondContact O-CE1 3.43Å; L474-F654 HydrophobicContact CB-CB 4.33Å; L474-F654 HydrophobicContact CB-CD1 3.85Å; L474-F654 HydrophobicContact CB-CE1 4.47Å; L474-F654 HydrophobicContact CB-CG 4.16Å; L474-F654 HydrophobicContact CD1-CB 3.95Å; L474-F654 HydrophobicContact CD1-CD1 4.23Å; L474-F654 HydrophobicContact CD1-CD2 3.92Å; L474-F654 HydrophobicContact CD1-CG 3.77Å; A477-F654 HydrophobicContact CB-CE1 4.06Å; A477-F654 HydrophobicContact CB-CE2 3.83Å; A477-F654 HydrophobicContact CB-CZ 3.39Å; K650-F654 WeakPolarHBondContact O-CB 3.5Å; K650-F654 PolarHBondContact O-N 3.3Å; A651-F654 PolarHBondContact O-N 2.81Å; M652-F654 VanDerWaalsContact C-N 3.31Å; M652-F654 PolarHBondContact O-N 2.99Å; F654-M657 HydrophobicContact CD2-CE 3.64Å; F654-M657 HydrophobicContact CE2-CE 3.6Å; F654-Q658 WeakPolarHBondContact O-CG 3.38Å; F654-Q658 PolarHBondContact O-N 2.89Å; F654-Q658 PolarHBondContact O-NE2 2.68Å
655	L	86.4	Confident	84.6	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-48.8	170.2	177.5	167.1	0	0	0	110.9	Y403 V408 A411 L466 S470 A651 M652 V653 M657 Q658 D659	Y403-L655 HydrophobicContact CD1-CD1 3.41Å; Y403-L655 VanDerWaalsContact CD1-CD1 3.41Å; Y403-L655 HydrophobicContact CD1-CG 3.86Å; Y403-L655 HydrophobicContact CD2-CD1 4.3Å; Y403-L655 HydrophobicContact CD2-CG 3.83Å; Y403-L655 HydrophobicContact CE1-CD1 3.4Å; Y403-L655 HydrophobicContact CE1-CG 3.95Å; Y403-L655 HydrophobicContact CE2-CB 4.36Å; Y403-L655 HydrophobicContact CE2-CD1 4.3Å; Y403-L655 HydrophobicContact CE2-CG 3.92Å; Y403-L655 HydrophobicContact CG-CD1 3.87Å; Y403-L655 HydrophobicContact CG-CD2 4.44Å; Y403-L655 HydrophobicContact CG-CG 3.78Å; V408-L655 HydrophobicContact CG2-CD2 4.38Å; A411-L655 HydrophobicContact CB-CD1 4.26Å; A411-L655 HydrophobicContact CB-CD2 3.94Å; L466-L655 HydrophobicContact CD1-CD1 3.78Å; L466-L655 HydrophobicContact CD2-CD1 4.43Å; L466-L655 HydrophobicContact CG-CD1 4.22Å; S470-L655 WeakPolarHBondContact OG-CD1 3.28Å; A651-L655 PolarHBondContact O-N 3.23Å; M652-L655 WeakPolarHBondContact O-CB 3.37Å; M652-L655 PolarHBondContact O-N 3.12Å; V653-L655 VanDerWaalsContact C-N 3.34Å; V653-L655 PolarHBondContact O-N 2.95Å; L655-M657 VanDerWaalsContact C-N 3.28Å; L655-M657 PolarHBondContact O-N 3.34Å; L655-Q658 WeakPolarHBondContact O-CB 3.3Å; L655-Q658 PolarHBondContact O-N 2.82Å; L655-Q658 VanDerWaalsContact O-N 3.09Å; L655-D659 PolarHBondContact O-N 3.24Å
656	L	85.2	Confident	84.6	Confident	35 Å²	35	28.4 Å²	28.4	18%	0.183	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-33.4	-179.5	-66.6	175.7	0	0	0	112.5	V408 A411 K412 I415 M652 V653 Q658 S660	V408-L656 HydrophobicContact CG1-CD2 3.76Å; A411-L656 HydrophobicContact CB-CD2 4.12Å; A411-L656 HydrophobicContact CB-CG 4.37Å; K412-L656 HydrophobicContact CG-CD1 4.13Å; K412-L656 HydrophobicContact CG-CD2 4.09Å; I415-L656 HydrophobicContact CD1-CD1 3.8Å; M652-L656 WeakPolarHBondContact O-CG 3.43Å; M652-L656 PolarHBondContact O-N 3.05Å; V653-L656 PolarHBondContact O-N 3.35Å; L656-Q658 VanDerWaalsContact C-N 3.3Å; L656-Q658 PolarHBondContact O-N 3.1Å; L656-S660 WeakPolarHBondContact O-CB 3.27Å; L656-S660 PolarHBondContact O-N 3.21Å; L656-S660 VanDerWaalsContact O-N 3.16Å; L656-S660 PolarHBondContact O-OG 3.37Å
657	M	86.1	Confident	84.6	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-61.7	-38.3	173.7	-170	-176.2	75.1	0	0	111.7	L277 L280 L283 W287 L290 R291 I294 V653 F654 L655 S660 A661	L277-M657 HydrophobicContact CD2-CB 4.12Å; L277-M657 HydrophobicContact CD2-CG 3.99Å; L277-M657 HydrophobicContact CD2-SD 4.14Å; L280-M657 HydrophobicContact CD1-SD 3.89Å; L283-M657 HydrophobicContact CD1-CE 4.22Å; W287-M657 HydrophobicContact CE3-CE 4.2Å; L290-M657 HydrophobicContact CD2-CE 4.45Å; R291-M657 HydrophobicContact CB-SD 3.76Å; R291-M657 HydrophobicContact CG-SD 4.21Å; I294-M657 HydrophobicContact CD1-CB 4.41Å; I294-M657 HydrophobicContact CD1-CG 3.45Å; I294-M657 VanDerWaalsContact CD1-CG 3.45Å; I294-M657 WeakPolarHBondContact CD1-O 3.37Å; V653-M657 WeakPolarHBondContact O-CB 3.32Å; V653-M657 PolarHBondContact O-N 3.1Å; F654-M657 HydrophobicContact CD2-CE 3.64Å; F654-M657 HydrophobicContact CE2-CE 3.6Å; L655-M657 VanDerWaalsContact C-N 3.28Å; L655-M657 PolarHBondContact O-N 3.34Å; M657-S660 PolarHBondContact O-OG 3.4Å; M657-A661 PolarHBondContact O-N 3.25Å
658	Q	78	Confident	84.8	Confident	42 Å²	42	27 Å²	27	20%	0.196	15%	0.151	C	C	.	.	H	α-helix	trans	-67.8	-43	179.2	-70.8	168	66.2	0	0	112.7	W287 F654 L655 L656	W287-Q658 HydrophobicContact CE3-CG 4.49Å; W287-Q658 HydrophobicContact CH2-CG 3.85Å; W287-Q658 HydrophobicContact CZ3-CG 3.58Å; F654-Q658 WeakPolarHBondContact O-CG 3.38Å; F654-Q658 PolarHBondContact O-N 2.89Å; F654-Q658 PolarHBondContact O-NE2 2.68Å; L655-Q658 WeakPolarHBondContact O-CB 3.3Å; L655-Q658 PolarHBondContact O-N 2.82Å; L655-Q658 VanDerWaalsContact O-N 3.09Å; L656-Q658 VanDerWaalsContact C-N 3.3Å; L656-Q658 PolarHBondContact O-N 3.1Å
659	D	75.4	Confident	85	Confident	44 Å²	44	30.1 Å²	30.1	24%	0.235	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-38.8	178.7	174.5	72.4	0	0	0	112.2	K386 V408 L655	K386-D659 VanDerWaalsContact NZ-CG 3.31Å; K386-D659 IonicContact NZ-OD1 3.05Å; K386-D659 PolarHBondContact NZ-OD1 3.23Å; K386-D659 IonicContact NZ-OD2 3.36Å; K386-D659 PolarHBondContact NZ-OD2 2.68Å; V408-D659 HydrophobicContact CG2-CB 3.84Å; L655-D659 PolarHBondContact O-N 3.24Å
660	S	71	Confident	85.2	Confident	28 Å²	28	28.9 Å²	28.9	20%	0.196	17%	0.168	C	C	.	.	H	α-helix	trans	-78.6	-29.4	-169.5	51.2	0	0	0	0	113.9	L656 M657 T663 I664	L656-S660 WeakPolarHBondContact O-CB 3.27Å; L656-S660 PolarHBondContact O-N 3.21Å; L656-S660 VanDerWaalsContact O-N 3.16Å; L656-S660 PolarHBondContact O-OG 3.37Å; M657-S660 PolarHBondContact O-OG 3.4Å; S660-T663 PolarHBondContact O-N 2.64Å; S660-I664 WeakPolarHBondContact O-CA 3.35Å; S660-I664 VanDerWaalsContact O-CB 3.3Å; S660-I664 WeakPolarHBondContact O-CB 3.49Å; S660-I664 PolarHBondContact O-N 3.18Å
661	A	70.1	Confident	85.4	Confident	5 Å²	5	27.7 Å²	27.7	4%	0.041	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-47.4	-169	0	0	0	0	0	117.4	L290 I294 M657 T663 I664	L290-A661 HydrophobicContact CD1-CB 3.26Å; L290-A661 HydrophobicContact CD2-CB 3.78Å; L290-A661 HydrophobicContact CG-CB 3.56Å; I294-A661 HydrophobicContact CD1-CB 3.99Å; I294-A661 HydrophobicContact CG1-CB 4.4Å; M657-A661 PolarHBondContact O-N 3.25Å; A661-T663 PolarHBondContact O-N 2.86Å; A661-I664 WeakPolarHBondContact O-CG2 3.32Å
662	P	72	Confident	85.8	Confident	70 Å²	70	28.7 Å²	28.7	46%	0.455	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-19.7	-175.7	26.3	-33.3	0	0	0	113.2	F389	F389-P662 HydrophobicContact CD1-CG 4.34Å; F389-P662 HydrophobicContact CE1-CB 3.98Å; F389-P662 HydrophobicContact CE1-CG 3.71Å; F389-P662 HydrophobicContact CE2-CB 4.35Å; F389-P662 HydrophobicContact CZ-CB 3.81Å; F389-P662 HydrophobicContact CZ-CG 4.04Å
663	T	82.3	Confident	86.2	Confident	26 Å²	26	28.8 Å²	28.8	16%	0.16	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-1.5	-170.8	60.9	0	0	0	0	113.9	F382 S660 A661 A665 T666 Y667	F382-T663 HydrophobicContact CE2-CG2 4.4Å; S660-T663 PolarHBondContact O-N 2.64Å; A661-T663 PolarHBondContact O-N 2.86Å; T663-A665 PolarHBondContact O-N 3.31Å; T663-T666 PolarHBondContact O-N 3.07Å; T663-T666 VanDerWaalsContact O-N 3.1Å; T663-Y667 PolarHBondContact O-N 2.94Å
664	I	86.6	Confident	86.6	Confident	4 Å²	4	32 Å²	32	2%	0.021	18%	0.178	C	C	.	.	H	α-helix	trans	-54.8	-44.7	-170.6	-173.2	64.1	0	0	0	113.5	I294 Q297 Y298 S660 A661 T666 Y667 L668	I294-I664 HydrophobicContact CG1-CG2 4.27Å; I294-I664 HydrophobicContact CG2-CG1 4.28Å; Q297-I664 HydrophobicContact CB-CG1 4.4Å; Q297-I664 HydrophobicContact CG-CG2 4.11Å; Y298-I664 HydrophobicContact CE2-CD1 3.94Å; S660-I664 WeakPolarHBondContact O-CA 3.35Å; S660-I664 VanDerWaalsContact O-CB 3.3Å; S660-I664 WeakPolarHBondContact O-CB 3.49Å; S660-I664 PolarHBondContact O-N 3.18Å; A661-I664 WeakPolarHBondContact O-CG2 3.32Å; I664-T666 VanDerWaalsContact C-N 3.34Å; I664-T666 PolarHBondContact O-N 3.11Å; I664-Y667 HydrophobicContact CD1-CD1 4.36Å; I664-Y667 PolarHBondContact O-N 3.36Å; I664-L668 HydrophobicContact CD1-CD1 3.95Å; I664-L668 HydrophobicContact CD1-CD2 4.45Å; I664-L668 HydrophobicContact CD1-CG 3.84Å; I664-L668 HydrophobicContact CG1-CD1 3.82Å; I664-L668 HydrophobicContact CG1-CG 4.11Å; I664-L668 WeakPolarHBondContact O-CB 3.43Å; I664-L668 WeakPolarHBondContact O-CG 3.41Å; I664-L668 PolarHBondContact O-N 3.22Å
665	A	88.1	Confident	87	Confident	47 Å²	47	32.1 Å²	32.1	39%	0.388	18%	0.179	S	C	.	.	H	α-helix	trans	-63	-41.7	-178.4	0	0	0	0	0	111.8	Q297 T663 S669	Q297-A665 HydrophobicContact CG-CB 4.41Å; T663-A665 PolarHBondContact O-N 3.31Å; A665-S669 WeakPolarHBondContact O-CB 3.48Å; A665-S669 PolarHBondContact O-N 3Å; A665-S669 VanDerWaalsContact O-N 3.08Å
666	T	89.5	Confident	87.6	Confident	81 Å²	81	32 Å²	32	50%	0.497	18%	0.179	S	C	.	.	H	α-helix	trans	-70.3	-44.2	177.3	-56.7	0	0	0	0	110.6	F382 T663 I664 L668 S669 L670	F382-T666 HydrophobicContact CD2-CG2 3.63Å; F382-T666 HydrophobicContact CE2-CG2 4.04Å; T663-T666 PolarHBondContact O-N 3.07Å; T663-T666 VanDerWaalsContact O-N 3.1Å; I664-T666 VanDerWaalsContact C-N 3.34Å; I664-T666 PolarHBondContact O-N 3.11Å; T666-L668 PolarHBondContact O-N 3.23Å; T666-S669 PolarHBondContact O-N 3.28Å; T666-L670 HydrophobicContact CG2-CD1 4.19Å; T666-L670 WeakPolarHBondContact O-CG 3.13Å; T666-L670 PolarHBondContact O-N 3.36Å
667	Y	90.3	Very high	88.2	Confident	80 Å²	80	30.4 Å²	30.4	31%	0.314	17%	0.17	S	C	.	.	H	α-helix	trans	-56.1	-50.5	176.5	173.7	-97.9	0	0	0	111.5	F382 T663 I664 S669 L670 Q671	F382-Y667 HydrophobicContact CE1-CD2 4.34Å; F382-Y667 HydrophobicContact CZ-CD2 4.29Å; T663-Y667 PolarHBondContact O-N 2.94Å; I664-Y667 HydrophobicContact CD1-CD1 4.36Å; I664-Y667 PolarHBondContact O-N 3.36Å; Y667-S669 PolarHBondContact O-N 3.33Å; Y667-L670 PolarHBondContact O-N 2.88Å; Y667-Q671 WeakPolarHBondContact O-CB 3.49Å; Y667-Q671 PolarHBondContact O-N 3.13Å
668	L	92.8	Very high	88.8	Confident	5 Å²	5	30.9 Å²	30.9	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-38.6	-179.8	-80.8	-173.9	0	0	0	112.4	Q297 Y298 I301 I664 T666 Q671 Y672	Q297-L668 HydrophobicContact CB-CD1 3.75Å; Y298-L668 HydrophobicContact CD1-CD1 4.17Å; Y298-L668 HydrophobicContact CD1-CD2 4.04Å; Y298-L668 HydrophobicContact CD2-CD1 4.42Å; Y298-L668 HydrophobicContact CE1-CD1 4.33Å; Y298-L668 HydrophobicContact CE1-CD2 3.6Å; Y298-L668 HydrophobicContact CG-CD1 4.21Å; I301-L668 HydrophobicContact CD1-CB 3.49Å; I301-L668 VanDerWaalsContact CD1-CB 3.49Å; I301-L668 HydrophobicContact CD1-CD1 4.41Å; I301-L668 HydrophobicContact CD1-CD2 4.27Å; I301-L668 HydrophobicContact CD1-CG 4.25Å; I301-L668 VanDerWaalsContact CD1-O 3.28Å; I301-L668 WeakPolarHBondContact CD1-O 3.26Å; I301-L668 HydrophobicContact CG1-CB 4.39Å; I664-L668 HydrophobicContact CD1-CD1 3.95Å; I664-L668 HydrophobicContact CD1-CD2 4.45Å; I664-L668 HydrophobicContact CD1-CG 3.84Å; I664-L668 HydrophobicContact CG1-CD1 3.82Å; I664-L668 HydrophobicContact CG1-CG 4.11Å; I664-L668 WeakPolarHBondContact O-CB 3.43Å; I664-L668 WeakPolarHBondContact O-CG 3.41Å; I664-L668 PolarHBondContact O-N 3.22Å; T666-L668 PolarHBondContact O-N 3.23Å; L668-Q671 PolarHBondContact O-N 2.77Å; L668-Y672 WeakPolarHBondContact O-CB 3.46Å; L668-Y672 PolarHBondContact O-N 3.44Å
669	S	93.9	Very high	89.8	Confident	65 Å²	65	28.9 Å²	28.9	46%	0.455	16%	0.163	S	C	.	.	H	α-helix	trans	-63.2	-42.4	172.8	-179.9	0	0	0	0	112.6	A665 T666 Y667 R673	A665-S669 WeakPolarHBondContact O-CB 3.48Å; A665-S669 PolarHBondContact O-N 3Å; A665-S669 VanDerWaalsContact O-N 3.08Å; T666-S669 PolarHBondContact O-N 3.28Å; Y667-S669 PolarHBondContact O-N 3.33Å; S669-R673 PolarHBondContact O-N 2.99Å; S669-R673 VanDerWaalsContact O-N 3.14Å
670	L	94.8	Very high	90.9	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.073	15%	0.152	C	C	.	.	H	α-helix	trans	-68.2	-39	176.3	-65.4	174.9	0	0	0	111.8	K378 L379 F382 T666 Y667 R673 R674	K378-L670 HydrophobicContact CB-CD2 3.54Å; K378-L670 HydrophobicContact CD-CD2 4.02Å; K378-L670 HydrophobicContact CG-CD2 4.34Å; L379-L670 HydrophobicContact CD2-CB 4.45Å; L379-L670 HydrophobicContact CD2-CD1 4.22Å; F382-L670 HydrophobicContact CB-CD1 3.62Å; F382-L670 HydrophobicContact CD1-CD1 4.38Å; F382-L670 HydrophobicContact CD2-CD1 3.97Å; F382-L670 HydrophobicContact CG-CD1 3.74Å; T666-L670 HydrophobicContact CG2-CD1 4.19Å; T666-L670 WeakPolarHBondContact O-CG 3.13Å; T666-L670 PolarHBondContact O-N 3.36Å; Y667-L670 PolarHBondContact O-N 2.88Å; L670-R673 WeakPolarHBondContact O-CB 3.11Å; L670-R673 PolarHBondContact O-N 3.36Å; L670-R674 WeakPolarHBondContact O-CB 3.49Å; L670-R674 PolarHBondContact O-N 2.67Å
671	Q	95.4	Very high	92.2	Very high	22 Å²	22	25.6 Å²	25.6	10%	0.103	14%	0.143	C	C	.	.	H	α-helix	trans	-62.5	-46.7	175.9	-170.8	60	46.2	0	0	110.9	Y667 L668 R673 R674 D675 R765	Y667-Q671 WeakPolarHBondContact O-CB 3.49Å; Y667-Q671 PolarHBondContact O-N 3.13Å; L668-Q671 PolarHBondContact O-N 2.77Å; Q671-R673 VanDerWaalsContact C-N 3.31Å; Q671-R673 PolarHBondContact O-N 3.17Å; Q671-R674 CarbonylContact O-C 3.58Å; Q671-R674 WeakPolarHBondContact O-CB 3.13Å; Q671-R674 PolarHBondContact O-N 2.76Å; Q671-R674 VanDerWaalsContact O-N 3.09Å; Q671-D675 PolarHBondContact NE2-OD1 3.3Å; Q671-D675 WeakPolarHBondContact O-CB 3.42Å; Q671-D675 PolarHBondContact O-N 3.25Å; Q671-R765 VanDerWaalsContact NE2-CD 3.3Å
672	Y	97.1	Very high	93.6	Very high	22 Å²	22	25.3 Å²	25.3	9%	0.086	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-43.8	175.4	-179.5	-95.2	0	0	0	111.9	T304 Y305 N308 E332 F333 Q368 L668 R674 D675 V676	T304-Y672 HydrophobicContact CG2-CE2 3.86Å; Y305-Y672 HydrophobicContact CD1-CD2 4.25Å; Y305-Y672 AromaticContact CD1-CE2 3.98Å; Y305-Y672 HydrophobicContact CD1-CE2 3.98Å; Y305-Y672 AromaticContact CE1-CD2 3.49Å; Y305-Y672 HydrophobicContact CE1-CD2 3.49Å; Y305-Y672 VanDerWaalsContact CE1-CD2 3.49Å; Y305-Y672 AromaticContact CE1-CE2 3.59Å; Y305-Y672 HydrophobicContact CE1-CE2 3.59Å; Y305-Y672 AromaticContact CZ-CD2 3.61Å; Y305-Y672 WeakPolarHBondContact OH-CD2 3.36Å; N308-Y672 PolarHBondContact ND2-OH 3.14Å; E332-Y672 WeakPolarHBondContact OE2-CE1 3.44Å; E332-Y672 PolarHBondContact OE2-OH 3.09Å; F333-Y672 HydrophobicContact CE2-CE2 4.04Å; F333-Y672 HydrophobicContact CZ-CD2 4.47Å; F333-Y672 AromaticContact CZ-CE2 3.82Å; F333-Y672 HydrophobicContact CZ-CE2 3.82Å; Q368-Y672 VanDerWaalsContact NE2-CD1 3.27Å; L668-Y672 WeakPolarHBondContact O-CB 3.46Å; L668-Y672 PolarHBondContact O-N 3.44Å; Y672-R674 PolarHBondContact O-N 3.17Å; Y672-D675 PolarHBondContact O-N 2.98Å; Y672-V676 HydrophobicContact CD1-CG2 4.42Å; Y672-V676 HydrophobicContact CE1-CG2 3.98Å; Y672-V676 WeakPolarHBondContact O-CG2 3.49Å; Y672-V676 PolarHBondContact O-N 2.94Å
673	R	97.4	Very high	94.8	Very high	1 Å²	1	22 Å²	22	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-45.7	174	-170.7	175.7	-177.2	105.3	-1.5	112.3	A365 G369 F370 L375 S669 L670 Q671 D675 V676 V677 D731	A365-R673 HydrophobicContact CB-CG 3.64Å; G369-R673 PolarHBondContact O-NH1 3.32Å; F370-R673 VanDerWaalsContact CD1-NH2 3.27Å; L375-R673 HydrophobicContact CD1-CB 4.21Å; L375-R673 HydrophobicContact CD1-CG 4.25Å; S669-R673 PolarHBondContact O-N 2.99Å; S669-R673 VanDerWaalsContact O-N 3.14Å; L670-R673 WeakPolarHBondContact O-CB 3.11Å; L670-R673 PolarHBondContact O-N 3.36Å; Q671-R673 VanDerWaalsContact C-N 3.31Å; Q671-R673 PolarHBondContact O-N 3.17Å; R673-D675 VanDerWaalsContact C-N 3.34Å; R673-V676 PolarHBondContact O-N 3.06Å; R673-V677 VanDerWaalsContact O-CG2 3.26Å; R673-V677 WeakPolarHBondContact O-CG2 3.43Å; R673-V677 PolarHBondContact O-N 2.94Å; R673-V677 VanDerWaalsContact O-N 3.17Å; R673-D731 IonicContact CZ-OD1 2.84Å; R673-D731 IonicContact CZ-OD2 3.84Å; R673-D731 VanDerWaalsContact CZ-OD2 3.31Å; R673-D731 IonicContact NE-OD1 2.96Å; R673-D731 PolarHBondContact NE-OD1 2.89Å; R673-D731 IonicContact NE-OD2 3.6Å; R673-D731 PolarHBondContact NE-OD2 3.25Å; R673-D731 VanDerWaalsContact NH2-CG 3.27Å; R673-D731 IonicContact NH2-OD1 2.69Å; R673-D731 PolarHBondContact NH2-OD1 3.46Å; R673-D731 IonicContact NH2-OD2 2.79Å; R673-D731 PolarHBondContact NH2-OD2 2.84Å
674	R	97.6	Very high	95.6	Very high	77 Å²	77	20.8 Å²	20.8	29%	0.291	11%	0.111	S	C	.	.	H	α-helix	trans	-62.6	-41.7	177.7	-171.1	173.1	-173.8	-178.6	1.2	111.5	L375 L670 Q671 Y672 V677 F678 D738	L375-R674 HydrophobicContact CD1-CB 4.33Å; L375-R674 HydrophobicContact CD2-CB 3.73Å; L375-R674 HydrophobicContact CD2-CG 3.87Å; L670-R674 WeakPolarHBondContact O-CB 3.49Å; L670-R674 PolarHBondContact O-N 2.67Å; Q671-R674 CarbonylContact O-C 3.58Å; Q671-R674 WeakPolarHBondContact O-CB 3.13Å; Q671-R674 PolarHBondContact O-N 2.76Å; Q671-R674 VanDerWaalsContact O-N 3.09Å; Y672-R674 PolarHBondContact O-N 3.17Å; R674-V677 PolarHBondContact O-N 3.35Å; R674-F678 WeakPolarHBondContact O-CB 3.32Å; R674-F678 PolarHBondContact O-N 3.27Å; R674-D738 IonicContact CZ-OD1 2.66Å; R674-D738 IonicContact CZ-OD2 3.31Å; R674-D738 IonicContact NE-OD1 2.79Å; R674-D738 IonicContact NE-OD2 2.79Å; R674-D738 PolarHBondContact NE-OD2 2.86Å; R674-D738 IonicContact NH2-OD1 2.83Å; R674-D738 PolarHBondContact NH2-OD1 3.35Å; R674-D738 IonicContact NH2-OD2 2.7Å; R674-D738 PolarHBondContact NH2-OD2 3.49Å; R674-D738 VanDerWaalsContact NH2-OD2 3.12Å
675	D	98.1	Very high	96.2	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.021	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-43.3	179.1	-69.7	-14.6	0	0	0	111.5	F262 L266 Y305 F333 Q671 Y672 R673 C679 R765	F262-D675 HydrophobicContact CE1-CB 4.27Å; F262-D675 WeakPolarHBondContact CE1-O 3.47Å; L266-D675 HydrophobicContact CD1-CB 3.74Å; Y305-D675 PolarHBondContact OH-OD2 2.93Å; F333-D675 HydrophobicContact CE1-CB 4.42Å; Q671-D675 PolarHBondContact NE2-OD1 3.3Å; Q671-D675 WeakPolarHBondContact O-CB 3.42Å; Q671-D675 PolarHBondContact O-N 3.25Å; Y672-D675 PolarHBondContact O-N 2.98Å; R673-D675 VanDerWaalsContact C-N 3.34Å; D675-C679 VanDerWaalsContact O-CB 3.25Å; D675-C679 WeakPolarHBondContact O-CB 3.2Å; D675-C679 PolarHBondContact O-N 3.38Å; D675-R765 IonicContact OD1-NE 2.75Å; D675-R765 PolarHBondContact OD1-NE 3Å; D675-R765 IonicContact OD2-CZ 3.44Å; D675-R765 VanDerWaalsContact OD2-CZ 3.27Å; D675-R765 IonicContact OD2-NE 3.34Å; D675-R765 PolarHBondContact OD2-NE 2.75Å; D675-R765 IonicContact OD2-NH2 2.85Å; D675-R765 PolarHBondContact OD2-NH2 3.26Å
676	V	98.3	Very high	96.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.6	-53.1	173.6	167.7	0	0	0	0	111.1	E332 F333 A365 Y672 R673 F678 C679 Q680	E332-V676 HydrophobicContact CG-CB 4.46Å; E332-V676 HydrophobicContact CG-CG1 3.72Å; E332-V676 HydrophobicContact CG-CG2 3.83Å; E332-V676 WeakPolarHBondContact O-CG1 3.39Å; F333-V676 HydrophobicContact CD1-CG2 4.24Å; F333-V676 HydrophobicContact CD2-CG2 4.38Å; F333-V676 HydrophobicContact CE1-CB 4.35Å; F333-V676 HydrophobicContact CE1-CG2 3.71Å; F333-V676 HydrophobicContact CE2-CG2 3.86Å; F333-V676 HydrophobicContact CZ-CG2 3.44Å; F333-V676 VanDerWaalsContact CZ-CG2 3.44Å; A365-V676 HydrophobicContact CB-CG1 4.21Å; Y672-V676 HydrophobicContact CD1-CG2 4.42Å; Y672-V676 HydrophobicContact CE1-CG2 3.98Å; Y672-V676 WeakPolarHBondContact O-CG2 3.49Å; Y672-V676 PolarHBondContact O-N 2.94Å; R673-V676 PolarHBondContact O-N 3.06Å; V676-F678 PolarHBondContact O-N 3.22Å; V676-C679 PolarHBondContact O-N 2.91Å; V676-Q680 WeakPolarHBondContact O-CG 3.47Å; V676-Q680 PolarHBondContact O-N 3.04Å
677	V	98.1	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.4	-43	-176.3	175.5	0	0	0	0	110.8	P363 R673 R674 Q680 T681 D731	P363-V677 HydrophobicContact CB-CG1 4Å; R673-V677 VanDerWaalsContact O-CG2 3.26Å; R673-V677 WeakPolarHBondContact O-CG2 3.43Å; R673-V677 PolarHBondContact O-N 2.94Å; R673-V677 VanDerWaalsContact O-N 3.17Å; R674-V677 PolarHBondContact O-N 3.35Å; V677-Q680 PolarHBondContact O-N 3.29Å; V677-T681 PolarHBondContact O-N 3.35Å; V677-T681 VanDerWaalsContact O-N 3.1Å; V677-T681 PolarHBondContact O-OG1 3.36Å; V677-D731 HydrophobicContact CG1-CB 4.18Å; V677-D731 WeakPolarHBondContact CG1-O 3.27Å; V677-D731 HydrophobicContact CG2-CB 3.82Å
678	F	98.5	Very high	97.4	Very high	12 Å²	12	10.7 Å²	10.7	5%	0.053	5%	0.053	C	C	.	.	H	α-helix	trans	-64.7	-43.4	178.2	-179	-103	0	0	0	111.6	F262 R674 V676 Q680 T681 L682 D738 L739 V742 F768	F262-F678 AromaticContact CE2-CD1 3.63Å; F262-F678 HydrophobicContact CE2-CD1 3.63Å; F262-F678 AromaticContact CE2-CE1 3.75Å; F262-F678 HydrophobicContact CE2-CE1 3.75Å; F262-F678 AromaticContact CZ-CD1 3.58Å; F262-F678 HydrophobicContact CZ-CD1 3.58Å; F262-F678 HydrophobicContact CZ-CE1 4.18Å; R674-F678 WeakPolarHBondContact O-CB 3.32Å; R674-F678 PolarHBondContact O-N 3.27Å; V676-F678 PolarHBondContact O-N 3.22Å; F678-Q680 PolarHBondContact O-N 3.2Å; F678-T681 PolarHBondContact O-N 3.02Å; F678-T681 VanDerWaalsContact O-N 3.13Å; F678-L682 HydrophobicContact CE1-CB 4.34Å; F678-L682 HydrophobicContact CE1-CD2 3.97Å; F678-L682 HydrophobicContact CZ-CD2 4.5Å; F678-L682 VanDerWaalsContact O-CB 3.28Å; F678-L682 WeakPolarHBondContact O-CB 3.46Å; F678-L682 PolarHBondContact O-N 3.23Å; F678-D738 HydrophobicContact CD2-CB 3.56Å; F678-D738 HydrophobicContact CE2-CB 3.75Å; F678-L739 HydrophobicContact CE2-CD2 4.01Å; F678-V742 HydrophobicContact CE2-CG2 4.13Å; F678-V742 HydrophobicContact CZ-CG2 3.63Å; F678-F768 HydrophobicContact CD1-CD2 4.47Å; F678-F768 HydrophobicContact CD1-CE2 4.2Å; F678-F768 AromaticContact CE1-CD2 3.39Å; F678-F768 HydrophobicContact CE1-CD2 3.39Å; F678-F768 AromaticContact CE1-CE2 3.51Å; F678-F768 HydrophobicContact CE1-CE2 3.51Å; F678-F768 HydrophobicContact CE1-CG 4.34Å; F678-F768 AromaticContact CZ-CD2 3.76Å; F678-F768 HydrophobicContact CZ-CD2 3.76Å; F678-F768 HydrophobicContact CZ-CE2 4.23Å
679	C	98.6	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-57.5	-46.4	176.8	-174.4	0	0	0	0	112.5	F262 F333 D675 V676 T681 L682 T683	F262-C679 HydrophobicContact CD1-CB 3.53Å; F262-C679 HydrophobicContact CE1-CB 3.68Å; F262-C679 HydrophobicContact CG-CB 4.2Å; F262-C679 HydrophobicContact CZ-CB 4.5Å; F333-C679 HydrophobicContact CD1-CB 3.82Å; D675-C679 VanDerWaalsContact O-CB 3.25Å; D675-C679 WeakPolarHBondContact O-CB 3.2Å; D675-C679 PolarHBondContact O-N 3.38Å; V676-C679 PolarHBondContact O-N 2.91Å; C679-T681 VanDerWaalsContact C-N 3.3Å; C679-T681 PolarHBondContact O-N 3.22Å; C679-L682 PolarHBondContact O-N 3.38Å; C679-T683 WeakPolarHBondContact O-CB 3.3Å; C679-T683 PolarHBondContact O-N 2.95Å; C679-T683 PolarHBondContact O-OG1 3.47Å
680	Q	98.4	Very high	97.8	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.009	3%	0.03	C	C	.	.	H	α-helix	trans	-60.6	-42	176.9	-65.6	175.3	10.9	0	0	111.3	E332 F333 P335 I360 P363 A364 V676 V677 F678 A684	E332-Q680 PolarHBondContact O-NE2 3.2Å; F333-Q680 WeakPolarHBondContact O-CG 3.19Å; P335-Q680 HydrophobicContact CB-CB 4.14Å; P335-Q680 HydrophobicContact CB-CG 4.45Å; I360-Q680 WeakPolarHBondContact CD1-O 3.22Å; P363-Q680 HydrophobicContact CB-CB 4.19Å; A364-Q680 PolarHBondContact O-NE2 2.97Å; V676-Q680 WeakPolarHBondContact O-CG 3.47Å; V676-Q680 PolarHBondContact O-N 3.04Å; V677-Q680 PolarHBondContact O-N 3.29Å; F678-Q680 PolarHBondContact O-N 3.2Å; Q680-A684 PolarHBondContact O-N 3.17Å
681	T	98.4	Very high	97.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-71.2	-44.1	-179.3	-44.7	0	0	0	0	112	P363 V677 F678 C679 T683 A684 L685 F715 I736 L739	P363-T681 VanDerWaalsContact CB-OG1 3.29Å; P363-T681 WeakPolarHBondContact CB-OG1 3.47Å; V677-T681 PolarHBondContact O-N 3.35Å; V677-T681 VanDerWaalsContact O-N 3.1Å; V677-T681 PolarHBondContact O-OG1 3.36Å; F678-T681 PolarHBondContact O-N 3.02Å; F678-T681 VanDerWaalsContact O-N 3.13Å; C679-T681 VanDerWaalsContact C-N 3.3Å; C679-T681 PolarHBondContact O-N 3.22Å; T681-T683 VanDerWaalsContact C-N 3.3Å; T681-T683 PolarHBondContact O-N 2.7Å; T681-A684 PolarHBondContact O-N 3.08Å; T681-L685 PolarHBondContact O-N 2.7Å; T681-F715 HydrophobicContact CG2-CE1 4.24Å; T681-F715 HydrophobicContact CG2-CZ 4.16Å; T681-I736 HydrophobicContact CG2-CB 4.41Å; T681-I736 HydrophobicContact CG2-CG1 3.55Å; T681-L739 HydrophobicContact CG2-CD1 3.69Å; T681-L739 HydrophobicContact CG2-CD2 4.11Å; T681-L739 HydrophobicContact CG2-CG 4.01Å
682	L	98.6	Very high	97.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-58.9	-43.1	175.7	176.7	61.6	0	0	0	110.7	F262 F678 C679 A684 L685 I686 L739 V742 I761 V770	F262-L682 HydrophobicContact CD2-CD2 4.13Å; F262-L682 HydrophobicContact CE2-CD2 4.43Å; F678-L682 HydrophobicContact CE1-CB 4.34Å; F678-L682 HydrophobicContact CE1-CD2 3.97Å; F678-L682 HydrophobicContact CZ-CD2 4.5Å; F678-L682 VanDerWaalsContact O-CB 3.28Å; F678-L682 WeakPolarHBondContact O-CB 3.46Å; F678-L682 PolarHBondContact O-N 3.23Å; C679-L682 PolarHBondContact O-N 3.38Å; L682-A684 VanDerWaalsContact C-N 3.34Å; L682-A684 PolarHBondContact O-N 2.97Å; L682-L685 PolarHBondContact O-N 3.47Å; L682-I686 HydrophobicContact CD1-CD1 3.93Å; L682-I686 HydrophobicContact CD1-CG1 4.06Å; L682-I686 HydrophobicContact CG-CD1 3.85Å; L682-I686 HydrophobicContact CG-CG1 4.37Å; L682-I686 VanDerWaalsContact O-CG1 3.27Å; L682-I686 WeakPolarHBondContact O-CG1 3.48Å; L682-I686 PolarHBondContact O-N 3.47Å; L682-L739 HydrophobicContact CB-CD2 4.44Å; L682-V742 HydrophobicContact CD1-CG1 3.9Å; L682-V742 HydrophobicContact CD1-CG2 3.9Å; L682-I761 HydrophobicContact CD2-CD1 4.16Å; L682-V770 HydrophobicContact CD1-CG2 4.18Å
683	T	98.6	Very high	97.6	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-58.6	-45.9	177.8	-54.2	0	0	0	0	111.6	L254 V258 P335 L338 C679 T681 C687	L254-T683 HydrophobicContact CB-CG2 4.14Å; L254-T683 VanDerWaalsContact O-CG2 3.32Å; L254-T683 WeakPolarHBondContact O-CG2 3.42Å; V258-T683 HydrophobicContact CB-CG2 4.02Å; V258-T683 HydrophobicContact CG1-CG2 4.4Å; V258-T683 WeakPolarHBondContact CG1-OG1 3.33Å; V258-T683 HydrophobicContact CG2-CG2 4.3Å; P335-T683 HydrophobicContact CG-CG2 3.78Å; L338-T683 HydrophobicContact CD2-CG2 3.74Å; C679-T683 WeakPolarHBondContact O-CB 3.3Å; C679-T683 PolarHBondContact O-N 2.95Å; C679-T683 PolarHBondContact O-OG1 3.47Å; T681-T683 VanDerWaalsContact C-N 3.3Å; T681-T683 PolarHBondContact O-N 2.7Å; T683-C687 PolarHBondContact O-N 3.47Å; T683-C687 PolarHBondContact O-SG 3.04Å
684	A	98.4	Very high	97.3	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-61.2	-48.1	174.3	0	0	0	0	0	111.6	L338 V358 I360 Q680 T681 L682 I686 C687 G688 F892	L338-A684 HydrophobicContact CD1-CB 4Å; V358-A684 HydrophobicContact CG1-CB 4.38Å; I360-A684 HydrophobicContact CB-CB 4.4Å; I360-A684 HydrophobicContact CD1-CB 3.65Å; I360-A684 HydrophobicContact CG2-CB 4.38Å; Q680-A684 PolarHBondContact O-N 3.17Å; T681-A684 PolarHBondContact O-N 3.08Å; L682-A684 VanDerWaalsContact C-N 3.34Å; L682-A684 PolarHBondContact O-N 2.97Å; A684-I686 VanDerWaalsContact C-N 3.31Å; A684-I686 PolarHBondContact O-N 3.35Å; A684-C687 WeakPolarHBondContact O-CB 3.42Å; A684-C687 PolarHBondContact O-N 3.47Å; A684-C687 VanDerWaalsContact O-N 3.09Å; A684-G688 PolarHBondContact O-N 3.42Å; A684-F892 HydrophobicContact CB-CD1 4.17Å; A684-F892 HydrophobicContact CB-CE1 4.07Å; A684-F892 VanDerWaalsContact O-CE1 3.31Å; A684-F892 WeakPolarHBondContact O-CE1 3.25Å
685	L	98.7	Very high	97	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-55.4	-46.1	-179.7	179.7	69	0	0	0	111.8	T681 L682 C687 G688 F689 L711 A713 L739 V742 F744 V794 F892	T681-L685 PolarHBondContact O-N 2.7Å; L682-L685 PolarHBondContact O-N 3.47Å; L685-C687 VanDerWaalsContact C-N 3.33Å; L685-C687 PolarHBondContact O-N 3.1Å; L685-G688 PolarHBondContact O-N 2.98Å; L685-F689 WeakPolarHBondContact O-CB 3.12Å; L685-F689 PolarHBondContact O-N 3.3Å; L685-L711 HydrophobicContact CD1-CD2 4.43Å; L685-A713 HydrophobicContact CD1-CB 3.86Å; L685-L739 HydrophobicContact CB-CD1 4.2Å; L685-L739 HydrophobicContact CB-CD2 4.31Å; L685-L739 HydrophobicContact CD1-CD1 4.43Å; L685-L739 HydrophobicContact CD2-CB 4.19Å; L685-L739 HydrophobicContact CD2-CD1 4.07Å; L685-L739 HydrophobicContact CD2-CD2 3.83Å; L685-L739 HydrophobicContact CD2-CG 4.25Å; L685-L739 HydrophobicContact CG-CD1 4.45Å; L685-V742 HydrophobicContact CD2-CB 4.45Å; L685-V742 HydrophobicContact CD2-CG1 4.3Å; L685-F744 HydrophobicContact CD2-CE2 3.95Å; L685-F744 HydrophobicContact CD2-CZ 4.07Å; L685-F744 HydrophobicContact CG-CE2 4.07Å; L685-F744 HydrophobicContact CG-CZ 3.96Å; L685-V794 HydrophobicContact CD1-CG1 3.9Å; L685-V794 HydrophobicContact CD2-CG1 4.04Å; L685-V794 HydrophobicContact CD2-CG2 4.18Å; L685-F892 HydrophobicContact CD1-CZ 4.26Å
686	I	98.6	Very high	96.6	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-62.4	-41.5	178.7	-62	170.6	0	0	0	110.7	L254 V258 L682 A684 G688 F689 I690 F744 P759 I761 V770	L254-I686 HydrophobicContact CD1-CB 4.38Å; L254-I686 HydrophobicContact CD1-CG2 3.75Å; V258-I686 HydrophobicContact CG1-CD1 4.31Å; V258-I686 HydrophobicContact CG2-CD1 3.8Å; L682-I686 HydrophobicContact CD1-CD1 3.93Å; L682-I686 HydrophobicContact CD1-CG1 4.06Å; L682-I686 HydrophobicContact CG-CD1 3.85Å; L682-I686 HydrophobicContact CG-CG1 4.37Å; L682-I686 VanDerWaalsContact O-CG1 3.27Å; L682-I686 WeakPolarHBondContact O-CG1 3.48Å; L682-I686 PolarHBondContact O-N 3.47Å; A684-I686 VanDerWaalsContact C-N 3.31Å; A684-I686 PolarHBondContact O-N 3.35Å; I686-G688 VanDerWaalsContact C-N 3.34Å; I686-G688 PolarHBondContact O-N 3.31Å; I686-F689 PolarHBondContact O-N 3.01Å; I686-I690 HydrophobicContact CG2-CD1 3.83Å; I686-I690 HydrophobicContact CG2-CG1 4.41Å; I686-I690 WeakPolarHBondContact O-CG1 3.48Å; I686-I690 PolarHBondContact O-N 2.91Å; I686-F744 HydrophobicContact CG1-CE1 4.03Å; I686-F744 HydrophobicContact CG1-CZ 4.23Å; I686-P759 HydrophobicContact CG2-CB 4.02Å; I686-P759 HydrophobicContact CG2-CG 3.77Å; I686-I761 HydrophobicContact CD1-CD1 4.07Å; I686-I761 HydrophobicContact CD1-CG1 4.39Å; I686-V770 HydrophobicContact CD1-CG1 3.87Å; I686-V770 HydrophobicContact CD1-CG2 3.89Å; I686-V770 HydrophobicContact CG1-CG1 4.01Å; I686-V770 HydrophobicContact CG1-CG2 4.16Å; I686-V770 HydrophobicContact CG2-CG1 4.35Å
687	C	97.3	Very high	96.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-58.5	-47.6	174.9	-62.8	0	0	0	0	111.6	F225 S252 I340 T683 A684 L685 I691	F225-C687 HydrophobicContact CE1-CB 4.29Å; F225-C687 HydrophobicContact CZ-CB 4.43Å; S252-C687 PolarHBondContact OG-SG 3.39Å; I340-C687 HydrophobicContact CD1-CB 4.18Å; T683-C687 PolarHBondContact O-N 3.47Å; T683-C687 PolarHBondContact O-SG 3.04Å; A684-C687 WeakPolarHBondContact O-CB 3.42Å; A684-C687 PolarHBondContact O-N 3.47Å; A684-C687 VanDerWaalsContact O-N 3.09Å; L685-C687 VanDerWaalsContact C-N 3.33Å; L685-C687 PolarHBondContact O-N 3.1Å; C687-I691 WeakPolarHBondContact O-CG2 3.39Å; C687-I691 PolarHBondContact O-N 3.46Å
688	G	97.7	Very high	95.6	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-65.9	-38.3	179.7	0	0	0	0	0	113.2	A684 L685 I686 I691 K692	A684-G688 PolarHBondContact O-N 3.42Å; L685-G688 PolarHBondContact O-N 2.98Å; I686-G688 VanDerWaalsContact C-N 3.34Å; I686-G688 PolarHBondContact O-N 3.31Å; G688-I691 WeakPolarHBondContact O-CG2 3.46Å; G688-K692 WeakPolarHBondContact O-CB 3.4Å; G688-K692 PolarHBondContact O-N 3.32Å; G688-K692 VanDerWaalsContact O-N 3.09Å
689	F	97.9	Very high	95.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.4	-47	176.8	177.7	-103.2	0	0	0	111.9	L685 I686 I691 K692 L693 L706 L711 F744 V746 V772 L792	L685-F689 WeakPolarHBondContact O-CB 3.12Å; L685-F689 PolarHBondContact O-N 3.3Å; I686-F689 PolarHBondContact O-N 3.01Å; F689-I691 PolarHBondContact O-N 3.28Å; F689-K692 PolarHBondContact O-N 2.95Å; F689-L693 HydrophobicContact CE1-CD2 3.89Å; F689-L693 HydrophobicContact CZ-CB 4.44Å; F689-L693 HydrophobicContact CZ-CD2 4.02Å; F689-L693 WeakPolarHBondContact O-CB 3.23Å; F689-L693 PolarHBondContact O-N 3.37Å; F689-L706 HydrophobicContact CE2-CD1 4.17Å; F689-L706 HydrophobicContact CE2-CD2 4.18Å; F689-L711 HydrophobicContact CB-CD2 4.34Å; F689-L711 HydrophobicContact CD2-CD1 4.34Å; F689-L711 HydrophobicContact CD2-CD2 3.76Å; F689-F744 HydrophobicContact CB-CE1 3.91Å; F689-F744 HydrophobicContact CB-CE2 3.99Å; F689-F744 HydrophobicContact CB-CZ 3.64Å; F689-F744 HydrophobicContact CD1-CB 4.43Å; F689-F744 AromaticContact CD1-CD1 3.41Å; F689-F744 HydrophobicContact CD1-CD1 3.41Å; F689-F744 VanDerWaalsContact CD1-CD1 3.41Å; F689-F744 HydrophobicContact CD1-CD2 4.31Å; F689-F744 AromaticContact CD1-CE1 3.58Å; F689-F744 HydrophobicContact CD1-CE1 3.58Å; F689-F744 HydrophobicContact CD1-CE2 4.43Å; F689-F744 AromaticContact CD1-CG 3.81Å; F689-F744 HydrophobicContact CD1-CG 3.81Å; F689-F744 HydrophobicContact CD1-CZ 4.11Å; F689-F744 AromaticContact CD2-CD2 3.99Å; F689-F744 HydrophobicContact CD2-CD2 3.99Å; F689-F744 HydrophobicContact CD2-CE2 4.16Å; F689-F744 HydrophobicContact CD2-CG 4.18Å; F689-F744 HydrophobicContact CE1-CB 3.89Å; F689-F744 AromaticContact CE1-CD1 3.64Å; F689-F744 HydrophobicContact CE1-CD1 3.64Å; F689-F744 HydrophobicContact CE1-CE1 4.28Å; F689-F744 AromaticContact CE1-CG 3.77Å; F689-F744 HydrophobicContact CE1-CG 3.77Å; F689-F744 HydrophobicContact CE2-CB 4.23Å; F689-F744 HydrophobicContact CE2-CD2 4.21Å; F689-F744 HydrophobicContact CE2-CG 4.14Å; F689-F744 AromaticContact CG-CD1 3.89Å; F689-F744 HydrophobicContact CG-CD1 3.89Å; F689-F744 HydrophobicContact CG-CD2 4.02Å; F689-F744 AromaticContact CG-CE1 3.8Å; F689-F744 HydrophobicContact CG-CE1 3.8Å; F689-F744 AromaticContact CG-CE2 3.92Å; F689-F744 HydrophobicContact CG-CE2 3.92Å; F689-F744 AromaticContact CG-CG 4Å; F689-F744 HydrophobicContact CG-CG 4Å; F689-F744 AromaticContact CG-CZ 3.83Å; F689-F744 HydrophobicContact CG-CZ 3.83Å; F689-F744 HydrophobicContact CZ-CB 3.77Å; F689-F744 HydrophobicContact CZ-CD1 4.28Å; F689-F744 HydrophobicContact CZ-CD2 4.46Å; F689-F744 AromaticContact CZ-CG 3.94Å; F689-F744 HydrophobicContact CZ-CG 3.94Å; F689-V746 HydrophobicContact CZ-CG2 4.36Å; F689-V772 HydrophobicContact CD1-CG2 3.87Å; F689-V772 HydrophobicContact CE1-CB 4.21Å; F689-V772 HydrophobicContact CE1-CG1 4.49Å; F689-V772 HydrophobicContact CE1-CG2 3.77Å; F689-L792 HydrophobicContact CE2-CD1 4.41Å; F689-L792 HydrophobicContact CZ-CD1 4.02Å
690	I	96.6	Very high	94.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-46.9	-178.8	-71.5	171.8	0	0	0	111.1	L220 L221 V224 L254 I686 R694 P759 V772	L220-I690 HydrophobicContact CD1-CG2 4.47Å; L220-I690 HydrophobicContact CD2-CG2 3.95Å; L220-I690 HydrophobicContact CG-CG2 4.07Å; L221-I690 HydrophobicContact CD2-CG2 4.26Å; V224-I690 HydrophobicContact CG1-CD1 4.24Å; V224-I690 HydrophobicContact CG1-CG2 4.48Å; V224-I690 HydrophobicContact CG2-CD1 4.23Å; V224-I690 HydrophobicContact CG2-CG2 4.35Å; L254-I690 HydrophobicContact CD1-CD1 3.93Å; I686-I690 HydrophobicContact CG2-CD1 3.83Å; I686-I690 HydrophobicContact CG2-CG1 4.41Å; I686-I690 WeakPolarHBondContact O-CG1 3.48Å; I686-I690 PolarHBondContact O-N 2.91Å; I690-R694 VanDerWaalsContact O-CB 3.3Å; I690-R694 WeakPolarHBondContact O-CB 3.25Å; I690-R694 PolarHBondContact O-N 3.33Å; I690-P759 HydrophobicContact CD1-CB 4.45Å; I690-P759 HydrophobicContact CD1-CG 4.11Å; I690-V772 HydrophobicContact CD1-CG1 4.46Å; I690-V772 HydrophobicContact CG1-CG1 3.87Å; I690-V772 HydrophobicContact CG1-CG2 4.39Å
691	I	94.7	Very high	94.3	Very high	2 Å²	2	20.7 Å²	20.7	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-40.7	-179.2	-162.2	69.1	0	0	0	111.4	L215 L221 F225 I340 R342 D356 C687 G688 F689 R694 N695	L215-I691 HydrophobicContact CD2-CD1 3.92Å; L221-I691 HydrophobicContact CD1-CD1 3.63Å; L221-I691 HydrophobicContact CD2-CD1 3.56Å; L221-I691 HydrophobicContact CG-CD1 4.21Å; F225-I691 HydrophobicContact CD2-CD1 4.36Å; F225-I691 HydrophobicContact CE2-CB 4.24Å; F225-I691 HydrophobicContact CE2-CD1 3.87Å; F225-I691 HydrophobicContact CZ-CB 4.35Å; I340-I691 HydrophobicContact CD1-CG2 4.36Å; R342-I691 VanDerWaalsContact NH2-CG1 3.29Å; D356-I691 HydrophobicContact CB-CG2 4.42Å; D356-I691 WeakPolarHBondContact OD2-CG1 3.32Å; C687-I691 WeakPolarHBondContact O-CG2 3.39Å; C687-I691 PolarHBondContact O-N 3.46Å; G688-I691 WeakPolarHBondContact O-CG2 3.46Å; F689-I691 PolarHBondContact O-N 3.28Å; I691-R694 PolarHBondContact O-N 2.85Å; I691-N695 VanDerWaalsContact O-CG 3.3Å; I691-N695 PolarHBondContact O-N 2.53Å
692	K	95.4	Very high	94.1	Very high	34 Å²	34	20.9 Å²	20.9	15%	0.148	11%	0.108	C	C	.	.	H	α-helix	trans	-66.8	-48.6	178.1	179.2	65.8	-176.8	-178.2	0	111.7	G688 F689 R694 N695 C696 F702 N888 V890	G688-K692 WeakPolarHBondContact O-CB 3.4Å; G688-K692 PolarHBondContact O-N 3.32Å; G688-K692 VanDerWaalsContact O-N 3.09Å; F689-K692 PolarHBondContact O-N 2.95Å; K692-R694 VanDerWaalsContact C-N 3.27Å; K692-R694 PolarHBondContact O-N 2.8Å; K692-N695 PolarHBondContact O-N 2.88Å; K692-C696 VanDerWaalsContact CE-SG 3.55Å; K692-C696 PolarHBondContact NZ-SG 2.87Å; K692-C696 WeakPolarHBondContact O-CB 3.4Å; K692-C696 PolarHBondContact O-N 3.36Å; K692-F702 HydrophobicContact CD-CE2 4.39Å; K692-F702 HydrophobicContact CD-CZ 4.47Å; K692-F702 VanDerWaalsContact CE-CE2 3.47Å; K692-F702 HydrophobicContact CG-CE2 3.98Å; K692-F702 HydrophobicContact CG-CZ 3.72Å; K692-N888 WeakPolarHBondContact CE-O 3.5Å; K692-N888 PolarHBondContact NZ-O 3.27Å; K692-V890 HydrophobicContact CB-CG2 3.81Å; K692-V890 HydrophobicContact CG-CG2 3.9Å
693	L	94.4	Very high	93.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-54.7	-48.6	176.8	177.7	63.8	0	0	0	109.8	F689 N695 C696 L697 L703 L706 V746 V772 L774	F689-L693 HydrophobicContact CE1-CD2 3.89Å; F689-L693 HydrophobicContact CZ-CB 4.44Å; F689-L693 HydrophobicContact CZ-CD2 4.02Å; F689-L693 WeakPolarHBondContact O-CB 3.23Å; F689-L693 PolarHBondContact O-N 3.37Å; L693-N695 PolarHBondContact O-N 3.3Å; L693-C696 CarbonylContact O-C 3.48Å; L693-C696 PolarHBondContact O-N 3.49Å; L693-L697 HydrophobicContact CD1-CD2 4.16Å; L693-L697 HydrophobicContact CG-CD2 4.18Å; L693-L697 VanDerWaalsContact O-CG 3.3Å; L693-L697 WeakPolarHBondContact O-CG 3.21Å; L693-L697 PolarHBondContact O-N 3.38Å; L693-L697 VanDerWaalsContact O-N 3.08Å; L693-L703 HydrophobicContact CD1-CD2 4.29Å; L693-L706 HydrophobicContact CD1-CD2 4.21Å; L693-V746 HydrophobicContact CD2-CG1 4.39Å; L693-V746 HydrophobicContact CD2-CG2 3.8Å; L693-V772 HydrophobicContact CD2-CG1 4.46Å; L693-L774 HydrophobicContact CD2-CD1 4.32Å; L693-L774 HydrophobicContact CD2-CD2 4.46Å
694	R	91.6	Very high	93.7	Very high	21 Å²	21	26.3 Å²	26.3	8%	0.079	13%	0.128	C	C	.	.	H	α-helix	trans	-63.4	-41.7	-177.8	179.6	56	-171.3	94.6	-2.8	113.4	A213 D218 L220 L221 I690 I691 K692 C696	A213-R694 HydrophobicContact CB-CG 3.48Å; A213-R694 VanDerWaalsContact CB-CG 3.48Å; D218-R694 IonicContact OD1-NE 3.57Å; D218-R694 IonicContact OD2-CZ 3.13Å; D218-R694 IonicContact OD2-NE 2.71Å; D218-R694 PolarHBondContact OD2-NE 2.69Å; D218-R694 IonicContact OD2-NH2 2.78Å; D218-R694 PolarHBondContact OD2-NH2 3.43Å; L220-R694 HydrophobicContact CD2-CB 4.19Å; L220-R694 HydrophobicContact CD2-CG 4.49Å; L221-R694 HydrophobicContact CD1-CG 4.05Å; L221-R694 HydrophobicContact CD2-CB 3.98Å; L221-R694 HydrophobicContact CD2-CG 3.95Å; L221-R694 HydrophobicContact CG-CG 3.95Å; I690-R694 VanDerWaalsContact O-CB 3.3Å; I690-R694 WeakPolarHBondContact O-CB 3.25Å; I690-R694 PolarHBondContact O-N 3.33Å; I691-R694 PolarHBondContact O-N 2.85Å; K692-R694 VanDerWaalsContact C-N 3.27Å; K692-R694 PolarHBondContact O-N 2.8Å; R694-C696 VanDerWaalsContact C-N 3.3Å
695	N	89.8	Confident	93.6	Very high	50 Å²	50	26.4 Å²	26.4	27%	0.267	13%	0.129	S	C	.	.	H	α-helix	trans	-68.9	-30.1	178.6	-74.1	-3.5	0	0	0	112.9	R342 D356 I691 K692 L693	R342-N695 PolarHBondContact NH2-ND2 2.78Å; R342-N695 VanDerWaalsContact NH2-ND2 3.15Å; R342-N695 PolarHBondContact NH2-OD1 3.48Å; D356-N695 PolarHBondContact OD2-ND2 2.61Å; I691-N695 VanDerWaalsContact O-CG 3.3Å; I691-N695 PolarHBondContact O-N 2.53Å; K692-N695 PolarHBondContact O-N 2.88Å; L693-N695 PolarHBondContact O-N 3.3Å
696	C	90.7	Very high	93.4	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.095	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	21.3	-174	-62.4	0	0	0	0	112.8	K692 L693 R694 H698 D699 F702	K692-C696 VanDerWaalsContact CE-SG 3.55Å; K692-C696 PolarHBondContact NZ-SG 2.87Å; K692-C696 WeakPolarHBondContact O-CB 3.4Å; K692-C696 PolarHBondContact O-N 3.36Å; L693-C696 CarbonylContact O-C 3.48Å; L693-C696 PolarHBondContact O-N 3.49Å; R694-C696 VanDerWaalsContact C-N 3.3Å; C696-H698 PolarHBondContact O-N 3.08Å; C696-D699 HydrophobicContact CB-CB 4.13Å; C696-D699 PolarHBondContact O-N 3.44Å; C696-D699 VanDerWaalsContact O-N 3.15Å; C696-F702 HydrophobicContact CB-CB 4.01Å; C696-F702 HydrophobicContact CB-CD1 3.13Å; C696-F702 HydrophobicContact CB-CD2 4.48Å; C696-F702 HydrophobicContact CB-CE1 3.62Å; C696-F702 HydrophobicContact CB-CG 3.6Å; C696-F702 HydrophobicContact CB-CZ 4.45Å
697	L	88.6	Confident	93.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-21.3	178.4	-79.4	179.6	0	0	0	114.2	L693 L703 L774 L778 L782	L693-L697 HydrophobicContact CD1-CD2 4.16Å; L693-L697 HydrophobicContact CG-CD2 4.18Å; L693-L697 VanDerWaalsContact O-CG 3.3Å; L693-L697 WeakPolarHBondContact O-CG 3.21Å; L693-L697 PolarHBondContact O-N 3.38Å; L693-L697 VanDerWaalsContact O-N 3.08Å; L697-L703 WeakPolarHBondContact O-CD1 3.27Å; L697-L774 HydrophobicContact CD2-CD1 4.07Å; L697-L778 HydrophobicContact CD1-CB 3.94Å; L697-L778 HydrophobicContact CD1-CD1 3.93Å; L697-L778 HydrophobicContact CD1-CD2 3.92Å; L697-L778 HydrophobicContact CD1-CG 4.14Å; L697-L782 HydrophobicContact CD2-CD2 3.61Å; L697-L782 HydrophobicContact CD2-CG 4.48Å
698	H	85.5	Confident	93	Very high	121 Å²	121	31.6 Å²	31.6	56%	0.56	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114	13.3	179.2	-57.7	-54.4	0	0	0	112.3	C696	C696-H698 PolarHBondContact O-N 3.08Å
699	D	89.4	Confident	92.8	Very high	55 Å²	55	32.7 Å²	32.7	29%	0.294	16%	0.161	S	C	.	.			trans	-99.6	94.4	175.2	-177.9	-15.5	0	0	0	108.6	C696 G701 F702 L703	C696-D699 HydrophobicContact CB-CB 4.13Å; C696-D699 PolarHBondContact O-N 3.44Å; C696-D699 VanDerWaalsContact O-N 3.15Å; D699-G701 PolarHBondContact O-N 3.26Å; D699-G701 WeakPolarHBondContact OD1-CA 3.44Å; D699-G701 PolarHBondContact OD1-N 3.04Å; D699-F702 HydrophobicContact CB-CB 3.91Å; D699-F702 PolarHBondContact O-N 3.43Å; D699-F702 PolarHBondContact OD1-N 2.74Å; D699-L703 WeakPolarHBondContact O-CG 3.43Å; D699-L703 PolarHBondContact O-N 2.81Å
700	D	88.8	Confident	92.7	Very high	126 Å²	126	32.9 Å²	32.9	67%	0.674	16%	0.162	S	C	*	.	H	α-helix	trans	-58.6	-31.8	180	-67.9	-30.8	0	0	0	112.1	R704	D700-R704 WeakPolarHBondContact O-CB 3.27Å; D700-R704 PolarHBondContact O-N 2.94Å
701	G	91.3	Very high	92.7	Very high	10 Å²	10	33 Å²	33	10%	0.103	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-49.6	176.4	0	0	0	0	0	111.6	D699 Q705	D699-G701 PolarHBondContact O-N 3.26Å; D699-G701 WeakPolarHBondContact OD1-CA 3.44Å; D699-G701 PolarHBondContact OD1-N 3.04Å; G701-Q705 WeakPolarHBondContact O-CB 3.47Å; G701-Q705 PolarHBondContact O-N 3.05Å
702	F	94.1	Very high	92.9	Very high	4 Å²	4	33 Å²	33	2%	0.018	16%	0.163	C	C	.	.	H	α-helix	trans	-61	-47.5	174.6	170.2	-107.6	0	0	0	112.5	K692 C696 D699 R704 Q705 L706 L711 N888	K692-F702 HydrophobicContact CD-CE2 4.39Å; K692-F702 HydrophobicContact CD-CZ 4.47Å; K692-F702 VanDerWaalsContact CE-CE2 3.47Å; K692-F702 HydrophobicContact CG-CE2 3.98Å; K692-F702 HydrophobicContact CG-CZ 3.72Å; C696-F702 HydrophobicContact CB-CB 4.01Å; C696-F702 HydrophobicContact CB-CD1 3.13Å; C696-F702 HydrophobicContact CB-CD2 4.48Å; C696-F702 HydrophobicContact CB-CE1 3.62Å; C696-F702 HydrophobicContact CB-CG 3.6Å; C696-F702 HydrophobicContact CB-CZ 4.45Å; D699-F702 HydrophobicContact CB-CB 3.91Å; D699-F702 PolarHBondContact O-N 3.43Å; D699-F702 PolarHBondContact OD1-N 2.74Å; F702-R704 VanDerWaalsContact C-N 3.32Å; F702-R704 PolarHBondContact O-N 2.81Å; F702-Q705 WeakPolarHBondContact O-CB 3.5Å; F702-Q705 PolarHBondContact O-N 2.95Å; F702-L706 HydrophobicContact CE1-CD2 3.95Å; F702-L706 HydrophobicContact CZ-CB 4.42Å; F702-L706 HydrophobicContact CZ-CD2 3.98Å; F702-L706 VanDerWaalsContact O-CB 3.31Å; F702-L706 WeakPolarHBondContact O-CB 3.3Å; F702-L706 PolarHBondContact O-N 2.71Å; F702-L711 HydrophobicContact CE2-CD1 4.27Å; F702-L711 HydrophobicContact CZ-CD1 4.31Å; F702-N888 HydrophobicContact CD2-CB 3.8Å; F702-N888 HydrophobicContact CE2-CB 4.45Å
703	L	94.8	Very high	93.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.1	-39.7	-176.7	-64.9	173	0	0	0	111	L693 L697 D699 L706 Y707 L782 P783 I786	L693-L703 HydrophobicContact CD1-CD2 4.29Å; L697-L703 WeakPolarHBondContact O-CD1 3.27Å; D699-L703 WeakPolarHBondContact O-CG 3.43Å; D699-L703 PolarHBondContact O-N 2.81Å; L703-L706 PolarHBondContact O-N 3.35Å; L703-Y707 WeakPolarHBondContact O-CD1 3.19Å; L703-Y707 PolarHBondContact O-N 2.86Å; L703-Y707 VanDerWaalsContact O-N 3.14Å; L703-L782 HydrophobicContact CD1-CD2 4.44Å; L703-L782 HydrophobicContact CD2-CD2 4.08Å; L703-P783 HydrophobicContact CB-CG 3.85Å; L703-P783 HydrophobicContact CD1-CG 4.25Å; L703-I786 HydrophobicContact CD2-CD1 4.34Å
704	R	93.7	Very high	93.3	Very high	113 Å²	113	31.4 Å²	31.4	43%	0.426	16%	0.156	S	C	.	.	H	α-helix	trans	-61.2	-44.4	172.8	-169.8	176.2	-177.8	-179.7	-1.3	112.1	D700 F702 L706 Y707 T708 L841	D700-R704 WeakPolarHBondContact O-CB 3.27Å; D700-R704 PolarHBondContact O-N 2.94Å; F702-R704 VanDerWaalsContact C-N 3.32Å; F702-R704 PolarHBondContact O-N 2.81Å; R704-L706 VanDerWaalsContact C-N 3.33Å; R704-L706 PolarHBondContact O-N 3.08Å; R704-Y707 VanDerWaalsContact CA-CE1 3.46Å; R704-Y707 HydrophobicContact CB-CE1 4.28Å; R704-Y707 HydrophobicContact CG-CE1 4.46Å; R704-T708 WeakPolarHBondContact O-CB 3.42Å; R704-T708 PolarHBondContact O-N 2.97Å; R704-T708 PolarHBondContact O-OG1 3.4Å; R704-L841 HydrophobicContact CG-CD2 3.66Å
705	Q	95.3	Very high	93.6	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.014	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-43.7	173.6	-177.9	-177.5	-10.1	0	0	112.3	G701 F702 T708 I709 G710 Y833 F837 L841 L887 N888	G701-Q705 WeakPolarHBondContact O-CB 3.47Å; G701-Q705 PolarHBondContact O-N 3.05Å; F702-Q705 WeakPolarHBondContact O-CB 3.5Å; F702-Q705 PolarHBondContact O-N 2.95Å; Q705-T708 PolarHBondContact O-N 3.16Å; Q705-I709 PolarHBondContact O-N 3.05Å; Q705-G710 PolarHBondContact O-N 2.88Å; Q705-Y833 PolarHBondContact NE2-OH 3.24Å; Q705-F837 HydrophobicContact CG-CD2 4.07Å; Q705-F837 HydrophobicContact CG-CE2 4.17Å; Q705-L841 VanDerWaalsContact CA-CD1 3.49Å; Q705-L841 HydrophobicContact CB-CD1 3.77Å; Q705-L841 HydrophobicContact CG-CD1 4.06Å; Q705-L887 PolarHBondContact NE2-O 3.34Å; Q705-N888 PolarHBondContact OE1-ND2 3.2Å
706	L	95.3	Very high	94	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.14	C	C	.	.	H	α-helix	trans	-63.4	-45.1	-175.2	179.7	60.7	0	0	0	112.6	F689 L693 F702 L703 R704 G710 L711 L792	F689-L706 HydrophobicContact CE2-CD1 4.17Å; F689-L706 HydrophobicContact CE2-CD2 4.18Å; L693-L706 HydrophobicContact CD1-CD2 4.21Å; F702-L706 HydrophobicContact CE1-CD2 3.95Å; F702-L706 HydrophobicContact CZ-CB 4.42Å; F702-L706 HydrophobicContact CZ-CD2 3.98Å; F702-L706 VanDerWaalsContact O-CB 3.31Å; F702-L706 WeakPolarHBondContact O-CB 3.3Å; F702-L706 PolarHBondContact O-N 2.71Å; L703-L706 PolarHBondContact O-N 3.35Å; R704-L706 VanDerWaalsContact C-N 3.33Å; R704-L706 PolarHBondContact O-N 3.08Å; L706-G710 VanDerWaalsContact O-CA 3.25Å; L706-G710 WeakPolarHBondContact O-CA 3.21Å; L706-G710 PolarHBondContact O-N 2.82Å; L706-L711 HydrophobicContact CD1-CB 3.92Å; L706-L711 HydrophobicContact CD1-CD1 4.14Å; L706-L792 HydrophobicContact CD1-CB 4.36Å; L706-L792 HydrophobicContact CD1-CD1 4.31Å; L706-L792 HydrophobicContact CD2-CD1 3.78Å; L706-L792 HydrophobicContact CG-CD1 3.87Å; L706-L792 HydrophobicContact CG-CD2 4.27Å; L706-L792 HydrophobicContact CG-CG 4.45Å
707	Y	93.6	Very high	94.4	Very high	50 Å²	50	27.5 Å²	27.5	20%	0.196	14%	0.135	C	C	.	.	H	α-helix	trans	-80.8	-30.1	177.4	71.3	-110.4	0	0	0	112.5	L703 R704 P783 E785 I786 M790	L703-Y707 WeakPolarHBondContact O-CD1 3.19Å; L703-Y707 PolarHBondContact O-N 2.86Å; L703-Y707 VanDerWaalsContact O-N 3.14Å; R704-Y707 VanDerWaalsContact CA-CE1 3.46Å; R704-Y707 HydrophobicContact CB-CE1 4.28Å; R704-Y707 HydrophobicContact CG-CE1 4.46Å; Y707-P783 HydrophobicContact CD1-CB 4.35Å; Y707-P783 HydrophobicContact CD1-CG 4.39Å; Y707-P783 HydrophobicContact CE1-CB 3.97Å; Y707-P783 HydrophobicContact CE1-CG 4.07Å; Y707-E785 HydrophobicContact CD1-CB 4.43Å; Y707-E785 HydrophobicContact CD2-CB 4.33Å; Y707-E785 HydrophobicContact CD2-CG 4.31Å; Y707-E785 HydrophobicContact CE2-CG 4.2Å; Y707-E785 HydrophobicContact CG-CB 4.26Å; Y707-I786 HydrophobicContact CD1-CD1 4.25Å; Y707-I786 HydrophobicContact CD1-CG1 4.17Å; Y707-M790 HydrophobicContact CD2-CE 4.4Å; Y707-M790 HydrophobicContact CD2-SD 4.4Å; Y707-M790 HydrophobicContact CG-SD 4.46Å; Y707-M790 WeakPolarHBondContact O-CE 3.44Å
708	T	93.3	Very high	94.8	Very high	57 Å²	57	27.4 Å²	27.4	35%	0.35	14%	0.135	S	C	.	.	H	α-helix	trans	-78.1	-42.9	-176.3	-54.7	0	0	0	0	113.1	R704 Q705 V840	R704-T708 WeakPolarHBondContact O-CB 3.42Å; R704-T708 PolarHBondContact O-N 2.97Å; R704-T708 PolarHBondContact O-OG1 3.4Å; Q705-T708 PolarHBondContact O-N 3.16Å; T708-V840 HydrophobicContact CG2-CB 4.23Å; T708-V840 HydrophobicContact CG2-CG1 3.36Å
709	I	94.6	Very high	95.3	Very high	24 Å²	24	21.6 Å²	21.6	12%	0.123	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-39.6	-171.2	-54	174.7	0	0	0	110.6	Q705 Y833 Q836 F837 L841	Q705-I709 PolarHBondContact O-N 3.05Å; I709-Y833 HydrophobicContact CB-CE2 4.47Å; I709-Y833 HydrophobicContact CG2-CD2 3.89Å; I709-Y833 HydrophobicContact CG2-CE2 3.51Å; I709-Q836 HydrophobicContact CG2-CB 4.31Å; I709-F837 HydrophobicContact CD1-CB 3.91Å; I709-F837 HydrophobicContact CD1-CD2 4.02Å; I709-F837 HydrophobicContact CD1-CG 4.39Å; I709-L841 HydrophobicContact CD1-CD1 3.49Å; I709-L841 VanDerWaalsContact CD1-CD1 3.49Å; I709-L841 HydrophobicContact CD1-CG 4.17Å; I709-L841 HydrophobicContact CG1-CD1 4.17Å
710	G	95.2	Very high	95.6	Very high	3 Å²	3	19 Å²	19	3%	0.031	9%	0.094	C	C	.	.			trans	110.8	178.5	-175.3	0	0	0	0	0	113	Q705 L706 R793 Y833	Q705-G710 PolarHBondContact O-N 2.88Å; L706-G710 VanDerWaalsContact O-CA 3.25Å; L706-G710 WeakPolarHBondContact O-CA 3.21Å; L706-G710 PolarHBondContact O-N 2.82Å; G710-R793 CarbonylContact C-O 3.57Å; G710-R793 VanDerWaalsContact CA-O 3.28Å; G710-R793 WeakPolarHBondContact CA-O 3.16Å; G710-Y833 PolarHBondContact O-OH 3.36Å
711	L	97.6	Very high	95.9	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.016	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.5	-175.9	-173.4	79.3	0	0	0	111.7	L685 F689 F702 L706 R793 V794 Q795 V890	L685-L711 HydrophobicContact CD1-CD2 4.43Å; F689-L711 HydrophobicContact CB-CD2 4.34Å; F689-L711 HydrophobicContact CD2-CD1 4.34Å; F689-L711 HydrophobicContact CD2-CD2 3.76Å; F702-L711 HydrophobicContact CE2-CD1 4.27Å; F702-L711 HydrophobicContact CZ-CD1 4.31Å; L706-L711 HydrophobicContact CD1-CB 3.92Å; L706-L711 HydrophobicContact CD1-CD1 4.14Å; L711-R793 PolarHBondContact N-O 3.35Å; L711-V794 WeakPolarHBondContact O-CA 3.41Å; L711-Q795 PolarHBondContact O-N 3Å; L711-V890 HydrophobicContact CD1-CG2 3.83Å; L711-V890 HydrophobicContact CD2-CG2 4.02Å; L711-V890 HydrophobicContact CG-CG2 4.13Å
712	L	98.3	Very high	96	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.3	166.1	-179.8	65.2	0	0	0	110.3	Q795 V797 L830 Y833 L887 G889 V890	L712-Q795 HydrophobicContact CD1-CG 4.45Å; L712-V797 HydrophobicContact CD1-CG1 4.36Å; L712-V797 HydrophobicContact CD1-CG2 4.16Å; L712-L830 HydrophobicContact CD1-CD1 4.05Å; L712-L830 HydrophobicContact CD2-CD1 3.78Å; L712-Y833 HydrophobicContact CB-CD1 4.28Å; L712-Y833 HydrophobicContact CB-CE1 3.81Å; L712-Y833 HydrophobicContact CB-CE2 4.17Å; L712-Y833 HydrophobicContact CD1-CD1 4.36Å; L712-Y833 HydrophobicContact CD1-CG 4.31Å; L712-Y833 HydrophobicContact CD2-CD1 4.23Å; L712-Y833 HydrophobicContact CD2-CE1 4.25Å; L712-Y833 HydrophobicContact CG-CE1 4.48Å; L712-L887 HydrophobicContact CD2-CB 3.97Å; L712-L887 HydrophobicContact CD2-CD1 4.2Å; L712-G889 CarbonylContact O-C 3.51Å; L712-G889 WeakPolarHBondContact O-CA 3.5Å; L712-V890 PolarHBondContact O-N 3.22Å
713	A	98.5	Very high	95.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	104.6	175.5	0	0	0	0	0	109.9	L685 F715 V794 Q795 P796 V797 F892	L685-A713 HydrophobicContact CD1-CB 3.86Å; A713-F715 HydrophobicContact CB-CE2 4.14Å; A713-V794 HydrophobicContact CB-CG1 4.13Å; A713-Q795 PolarHBondContact N-O 3.12Å; A713-P796 CarbonylContact O-C 3.57Å; A713-P796 WeakPolarHBondContact O-CA 3.26Å; A713-V797 PolarHBondContact O-N 2.84Å; A713-F892 HydrophobicContact CB-CE2 3.95Å
714	Q	98.6	Very high	95.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.4	179.4	-165.6	-68.3	-9.4	0	0	109.1	V797 F799 C884 V890 F892	Q714-V797 HydrophobicContact CB-CG2 3.88Å; Q714-V797 HydrophobicContact CG-CG2 3.79Å; Q714-F799 HydrophobicContact CG-CD2 4.33Å; Q714-C884 HydrophobicContact CB-CB 3.66Å; Q714-C884 WeakPolarHBondContact CB-SG 3.32Å; Q714-C884 HydrophobicContact CG-CB 3.97Å; Q714-V890 PolarHBondContact N-O 3.17Å; Q714-F892 WeakPolarHBondContact O-CD2 3.35Å; Q714-F892 PolarHBondContact O-N 3.47Å
715	F	98.7	Very high	95.9	Very high	1 Å²	1	19.7 Å²	19.7	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.8	169.7	-68.2	-101.7	0	0	0	111.2	T681 A713 I736 L739 V797 L798 F799 F892	T681-F715 HydrophobicContact CG2-CE1 4.24Å; T681-F715 HydrophobicContact CG2-CZ 4.16Å; A713-F715 HydrophobicContact CB-CE2 4.14Å; F715-I736 HydrophobicContact CB-CD1 3.65Å; F715-I736 HydrophobicContact CD1-CD1 3.63Å; F715-I736 HydrophobicContact CD1-CG1 4.06Å; F715-I736 HydrophobicContact CD2-CD1 4.1Å; F715-I736 HydrophobicContact CD2-CG1 4.16Å; F715-I736 HydrophobicContact CD2-CG2 3.73Å; F715-I736 HydrophobicContact CE1-CD1 4.3Å; F715-I736 HydrophobicContact CE1-CG1 4.25Å; F715-I736 HydrophobicContact CE2-CG1 4.35Å; F715-I736 HydrophobicContact CE2-CG2 4.11Å; F715-I736 HydrophobicContact CG-CD1 3.52Å; F715-I736 HydrophobicContact CG-CG1 4.02Å; F715-I736 HydrophobicContact CG-CG2 4.25Å; F715-I736 HydrophobicContact CZ-CG1 4.4Å; F715-L739 HydrophobicContact CE2-CD1 3.71Å; F715-L739 HydrophobicContact CZ-CD1 3.75Å; F715-V797 PolarHBondContact N-O 2.96Å; F715-L798 HydrophobicContact CB-CD1 3.81Å; F715-L798 CarbonylContact O-C 3.58Å; F715-L798 WeakPolarHBondContact O-CA 3.45Å; F715-L798 WeakPolarHBondContact O-CD1 3.44Å; F715-F799 PolarHBondContact O-N 3.47Å; F715-F892 HydrophobicContact CB-CB 4.4Å; F715-F892 HydrophobicContact CD1-CB 3.44Å; F715-F892 VanDerWaalsContact CD1-CB 3.44Å; F715-F892 HydrophobicContact CD1-CD1 4.29Å; F715-F892 HydrophobicContact CD1-CD2 4.17Å; F715-F892 AromaticContact CD1-CG 3.72Å; F715-F892 HydrophobicContact CD1-CG 3.72Å; F715-F892 HydrophobicContact CD2-CD2 4.03Å; F715-F892 HydrophobicContact CD2-CG 4.42Å; F715-F892 HydrophobicContact CE1-CB 3.75Å; F715-F892 AromaticContact CE1-CD1 3.69Å; F715-F892 HydrophobicContact CE1-CD1 3.69Å; F715-F892 AromaticContact CE1-CD2 3.95Å; F715-F892 HydrophobicContact CE1-CD2 3.95Å; F715-F892 HydrophobicContact CE1-CE1 4.33Å; F715-F892 AromaticContact CE1-CG 3.51Å; F715-F892 HydrophobicContact CE1-CG 3.51Å; F715-F892 AromaticContact CE2-CD2 3.8Å; F715-F892 HydrophobicContact CE2-CD2 3.8Å; F715-F892 HydrophobicContact CE2-CE2 4.04Å; F715-F892 HydrophobicContact CE2-CG 4.24Å; F715-F892 HydrophobicContact CG-CB 3.9Å; F715-F892 HydrophobicContact CG-CD2 4.2Å; F715-F892 HydrophobicContact CG-CG 4.17Å; F715-F892 HydrophobicContact CZ-CB 4.43Å; F715-F892 AromaticContact CZ-CD1 3.98Å; F715-F892 HydrophobicContact CZ-CD1 3.98Å; F715-F892 AromaticContact CZ-CD2 3.76Å; F715-F892 HydrophobicContact CZ-CD2 3.76Å; F715-F892 HydrophobicContact CZ-CE1 4.21Å; F715-F892 AromaticContact CZ-CE2 3.97Å; F715-F892 HydrophobicContact CZ-CE2 3.97Å; F715-F892 AromaticContact CZ-CG 3.79Å; F715-F892 HydrophobicContact CZ-CG 3.79Å; F715-F892 HydrophobicContact CZ-CZ 4.21Å
716	E	98.3	Very high	96	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.8	167.8	173.2	179.5	126.9	0	0	109.8	F799 L877 R891 F892 S894 S905	E716-F799 WeakPolarHBondContact CA-O 3.47Å; E716-L877 HydrophobicContact CG-CB 4.34Å; E716-L877 HydrophobicContact CG-CD1 3.94Å; E716-L877 HydrophobicContact CG-CD2 4Å; E716-L877 HydrophobicContact CG-CG 4.3Å; E716-R891 IonicContact OE2-CZ 3.72Å; E716-R891 IonicContact OE2-NH1 2.71Å; E716-R891 IonicContact OE2-NH2 3.84Å; E716-R891 PolarHBondContact OE2-NH2 3.16Å; E716-F892 WeakPolarHBondContact CB-O 3.28Å; E716-F892 PolarHBondContact N-O 3.31Å; E716-S894 WeakPolarHBondContact O-CB 3.48Å; E716-S894 PolarHBondContact O-N 3.46Å; E716-S905 WeakPolarHBondContact OE1-CB 3.46Å; E716-S905 PolarHBondContact OE1-OG 3.41Å
717	S	98	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.9	175.4	173.8	0	0	0	0	111.8	L719 F799 N800 V801	S717-L719 WeakPolarHBondContact OG-CG 3.29Å; S717-L719 PolarHBondContact OG-N 3.06Å; S717-F799 PolarHBondContact N-O 3.02Å; S717-N800 WeakPolarHBondContact CB-OD1 3.33Å; S717-N800 WeakPolarHBondContact O-CA 3.29Å; S717-N800 PolarHBondContact O-OD1 3.08Å; S717-N800 PolarHBondContact OG-OD1 3.02Å; S717-V801 PolarHBondContact O-N 2.75Å
718	L	97.6	Very high	96.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.			trans	-104.7	17.1	177.8	-54.9	170.2	0	0	0	112.6	V801 I803 L877 S894 C895 R901 Y965	L718-V801 WeakPolarHBondContact CA-O 3.33Å; L718-I803 HydrophobicContact CB-CG1 4.41Å; L718-I803 HydrophobicContact CD1-CD1 4.27Å; L718-I803 HydrophobicContact CD2-CD1 4.34Å; L718-I803 HydrophobicContact CD2-CG2 4.17Å; L718-L877 HydrophobicContact CD2-CD1 3.44Å; L718-L877 VanDerWaalsContact CD2-CD1 3.44Å; L718-S894 PolarHBondContact N-O 2.78Å; L718-C895 HydrophobicContact CB-CB 3.98Å; L718-C895 HydrophobicContact CD1-CB 4.37Å; L718-R901 HydrophobicContact CD1-CB 3.93Å; L718-R901 WeakPolarHBondContact CD1-O 3.48Å; L718-R901 PolarHBondContact O-NH1 2.83Å; L718-Y965 HydrophobicContact CD2-CE1 4.43Å
719	L	97.1	Very high	96.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.			trans	-70.7	137.5	-178.6	-67.4	174.8	0	0	0	111.2	A362 S717 E725 M728 L729 M732 N800 G802 K896	A362-L719 HydrophobicContact CB-CD1 3.78Å; A362-L719 HydrophobicContact CB-CD2 4.02Å; A362-L719 HydrophobicContact CB-CG 4.35Å; S717-L719 WeakPolarHBondContact OG-CG 3.29Å; S717-L719 PolarHBondContact OG-N 3.06Å; L719-E725 WeakPolarHBondContact CA-OE2 3.38Å; L719-E725 HydrophobicContact CB-CB 4.42Å; L719-E725 HydrophobicContact CD2-CB 4.13Å; L719-E725 HydrophobicContact CD2-CG 4.12Å; L719-M728 HydrophobicContact CD1-CB 4.06Å; L719-L729 HydrophobicContact CB-CB 4.47Å; L719-L729 HydrophobicContact CD1-CB 4.01Å; L719-L729 HydrophobicContact CD1-CD1 4.38Å; L719-M732 HydrophobicContact CD1-SD 4.14Å; L719-N800 PolarHBondContact N-OD1 2.96Å; L719-N800 PolarHBondContact O-ND2 2.7Å; L719-N800 PolarHBondContact O-OD1 2.96Å; L719-G802 VanDerWaalsContact O-CA 3.31Å; L719-G802 WeakPolarHBondContact O-CA 3.49Å; L719-G802 PolarHBondContact O-N 3.36Å; L719-K896 HydrophobicContact CD2-CB 4.25Å
720	S	95.7	Very high	96.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.			trans	-77.1	147	171.2	54.2	0	0	0	0	111.7	Y722 E725 L726 N804 Q806 Q807	S720-Y722 PolarHBondContact O-N 3.33Å; S720-E725 PolarHBondContact N-OE2 2.83Å; S720-E725 CarbonylContact O-C 3.56Å; S720-E725 VanDerWaalsContact O-CB 3.32Å; S720-E725 WeakPolarHBondContact O-CB 3.48Å; S720-E725 WeakPolarHBondContact OG-CB 3.4Å; S720-E725 PolarHBondContact OG-OE2 3.17Å; S720-L726 PolarHBondContact O-N 2.79Å; S720-N804 WeakPolarHBondContact CB-OD1 3.46Å; S720-Q806 WeakPolarHBondContact OG-CB 3.39Å; S720-Q806 PolarHBondContact OG-OE1 3.19Å; S720-Q807 VanDerWaalsContact CA-OE1 3.24Å
721	T	94.8	Very high	96.7	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.018	9%	0.089	C	C	.	.	S	Bend	trans	-80.1	35.2	172.8	61.3	0	0	0	0	112.8	L729 A810 D815 Q819	T721-L729 HydrophobicContact CG2-CD2 4.16Å; T721-A810 VanDerWaalsContact OG1-CB 3.25Å; T721-A810 WeakPolarHBondContact OG1-CB 3.48Å; T721-D815 WeakPolarHBondContact CB-O 3.32Å; T721-D815 PolarHBondContact OG1-O 3.35Å; T721-Q819 HydrophobicContact CG2-CB 3.53Å
722	Y	92.9	Very high	96.7	Very high	104 Å²	104	16.4 Å²	16.4	41%	0.408	9%	0.088	S	C	.	.	S	Bend	trans	-138.6	148.3	-177.5	-164.8	-93.3	0	0	0	111.9	S720 E725 Q806 L809 A810	S720-Y722 PolarHBondContact O-N 3.33Å; Y722-E725 PolarHBondContact O-N 3.14Å; Y722-Q806 HydrophobicContact CD1-CB 4.49Å; Y722-L809 HydrophobicContact CE1-CD1 4.46Å; Y722-A810 HydrophobicContact CD2-CB 4.5Å
723	G	91.8	Very high	96.7	Very high	49 Å²	49	16.9 Å²	16.9	51%	0.505	9%	0.091	S	C	.	.	H	α-helix	trans	59.1	-140.5	177.4	0	0	0	0	0	113	E725 L726	G723-E725 VanDerWaalsContact C-N 3.29Å; G723-E725 PolarHBondContact O-N 3.1Å; G723-L726 PolarHBondContact O-N 3Å
724	E	93.8	Very high	96.6	Very high	103 Å²	103	17.6 Å²	17.6	48%	0.481	10%	0.095	S	C	.	.	H	α-helix	trans	-66.6	-28.6	-179.7	-58.2	-175	146.7	0	0	113.2	F370 L726 A727 M728 K896	F370-E724 HydrophobicContact CB-CB 4.4Å; F370-E724 HydrophobicContact CB-CG 4.45Å; F370-E724 HydrophobicContact CD2-CB 4.11Å; F370-E724 HydrophobicContact CD2-CG 4.38Å; F370-E724 HydrophobicContact CG-CB 4.44Å; E724-L726 VanDerWaalsContact C-N 3.26Å; E724-L726 PolarHBondContact O-N 2.92Å; E724-A727 PolarHBondContact O-N 2.85Å; E724-M728 HydrophobicContact CB-CE 4.13Å; E724-M728 WeakPolarHBondContact O-CG 3.43Å; E724-M728 PolarHBondContact O-N 2.77Å; E724-K896 IonicContact OE2-NZ 3.59Å
725	E	95.7	Very high	96.6	Very high	9 Å²	9	17.6 Å²	17.6	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-68	-27.5	-178.8	-67.1	-163.5	-178.3	0	0	112.1	L719 S720 Y722 G723 M728 L729 K896 R901	L719-E725 WeakPolarHBondContact CA-OE2 3.38Å; L719-E725 HydrophobicContact CB-CB 4.42Å; L719-E725 HydrophobicContact CD2-CB 4.13Å; L719-E725 HydrophobicContact CD2-CG 4.12Å; S720-E725 PolarHBondContact N-OE2 2.83Å; S720-E725 CarbonylContact O-C 3.56Å; S720-E725 VanDerWaalsContact O-CB 3.32Å; S720-E725 WeakPolarHBondContact O-CB 3.48Å; S720-E725 WeakPolarHBondContact OG-CB 3.4Å; S720-E725 PolarHBondContact OG-OE2 3.17Å; Y722-E725 PolarHBondContact O-N 3.14Å; G723-E725 VanDerWaalsContact C-N 3.29Å; G723-E725 PolarHBondContact O-N 3.1Å; E725-M728 PolarHBondContact O-N 2.86Å; E725-L729 WeakPolarHBondContact O-CB 3.39Å; E725-L729 PolarHBondContact O-N 2.95Å; E725-K896 HydrophobicContact CG-CD 4.35Å; E725-R901 IonicContact OE1-CZ 3.77Å; E725-R901 IonicContact OE1-NH1 2.85Å; E725-R901 IonicContact OE1-NH2 3.53Å; E725-R901 PolarHBondContact OE1-NH2 3.02Å; E725-R901 IonicContact OE2-CZ 2.66Å; E725-R901 VanDerWaalsContact OE2-CZ 3.29Å; E725-R901 IonicContact OE2-NH1 3.75Å; E725-R901 PolarHBondContact OE2-NH1 3.37Å; E725-R901 IonicContact OE2-NH2 3.53Å; E725-R901 PolarHBondContact OE2-NH2 3.1Å
726	L	96.2	Very high	96.5	Very high	48 Å²	48	17.8 Å²	17.8	25%	0.251	10%	0.097	S	C	.	.	H	α-helix	trans	-62.6	-45.8	172	178.7	61.8	0	0	0	111.1	S720 G723 E724 M728 L729 E730 L818	S720-L726 PolarHBondContact O-N 2.79Å; G723-L726 PolarHBondContact O-N 3Å; E724-L726 VanDerWaalsContact C-N 3.26Å; E724-L726 PolarHBondContact O-N 2.92Å; L726-M728 VanDerWaalsContact C-N 3.33Å; L726-M728 PolarHBondContact O-N 2.83Å; L726-L729 WeakPolarHBondContact O-CB 3.32Å; L726-L729 PolarHBondContact O-N 3.44Å; L726-L729 VanDerWaalsContact O-N 3.16Å; L726-E730 WeakPolarHBondContact O-CG 3.35Å; L726-E730 PolarHBondContact O-N 3.07Å; L726-L818 HydrophobicContact CD1-CB 4.4Å; L726-L818 HydrophobicContact CD1-CD2 3.74Å
727	A	96.5	Very high	96.5	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.033	11%	0.107	C	C	.	.	H	α-helix	trans	-69.3	-32.1	178.7	0	0	0	0	0	112.3	F370 G374 E724 L729 E730 D731	F370-A727 HydrophobicContact CB-CB 3.65Å; F370-A727 HydrophobicContact CD1-CB 3.46Å; F370-A727 VanDerWaalsContact CD1-CB 3.46Å; F370-A727 HydrophobicContact CE1-CB 4.45Å; F370-A727 HydrophobicContact CG-CB 3.87Å; G374-A727 WeakPolarHBondContact CA-O 3.19Å; E724-A727 PolarHBondContact O-N 2.85Å; A727-L729 VanDerWaalsContact C-N 3.34Å; A727-E730 PolarHBondContact O-N 3.33Å; A727-D731 PolarHBondContact O-N 3.01Å; A727-D731 VanDerWaalsContact O-N 3.08Å
728	M	97.4	Very high	96.4	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-65.4	-38.3	169.7	-64.8	173.8	-168.8	0	0	111.6	A362 A364 H366 F370 L719 E724 E725 L726 D731 M732 K896	A362-M728 HydrophobicContact CB-CB 4.21Å; A364-M728 HydrophobicContact CB-CB 4.18Å; A364-M728 HydrophobicContact CB-CG 3.92Å; H366-M728 VanDerWaalsContact CE1-CE 3.45Å; H366-M728 WeakPolarHBondContact CE1-CE 3.29Å; F370-M728 HydrophobicContact CD1-CG 4.49Å; F370-M728 HydrophobicContact CD2-CE 4.07Å; F370-M728 HydrophobicContact CE1-CG 3.83Å; F370-M728 HydrophobicContact CE2-CE 3.46Å; F370-M728 VanDerWaalsContact CE2-CE 3.46Å; F370-M728 HydrophobicContact CE2-CG 4.22Å; F370-M728 HydrophobicContact CZ-CE 3.81Å; F370-M728 HydrophobicContact CZ-CG 3.68Å; L719-M728 HydrophobicContact CD1-CB 4.06Å; E724-M728 HydrophobicContact CB-CE 4.13Å; E724-M728 WeakPolarHBondContact O-CG 3.43Å; E724-M728 PolarHBondContact O-N 2.77Å; E725-M728 PolarHBondContact O-N 2.86Å; L726-M728 VanDerWaalsContact C-N 3.33Å; L726-M728 PolarHBondContact O-N 2.83Å; M728-D731 PolarHBondContact O-N 3.25Å; M728-M732 VanDerWaalsContact O-CB 3.23Å; M728-M732 WeakPolarHBondContact O-CB 3.29Å; M728-M732 PolarHBondContact O-N 2.93Å; M728-K896 HydrophobicContact CE-CG 4.38Å; M728-K896 HydrophobicContact SD-CG 3.97Å
729	L	97.9	Very high	96.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-66.3	-39.2	175.7	-178.7	61.7	0	0	0	111.3	L719 T721 E725 L726 A727 M732 S733 L798 N800 L818 I822	L719-L729 HydrophobicContact CB-CB 4.47Å; L719-L729 HydrophobicContact CD1-CB 4.01Å; L719-L729 HydrophobicContact CD1-CD1 4.38Å; T721-L729 HydrophobicContact CG2-CD2 4.16Å; E725-L729 WeakPolarHBondContact O-CB 3.39Å; E725-L729 PolarHBondContact O-N 2.95Å; L726-L729 WeakPolarHBondContact O-CB 3.32Å; L726-L729 PolarHBondContact O-N 3.44Å; L726-L729 VanDerWaalsContact O-N 3.16Å; A727-L729 VanDerWaalsContact C-N 3.34Å; L729-M732 PolarHBondContact O-N 3.44Å; L729-S733 VanDerWaalsContact O-CB 3.23Å; L729-S733 WeakPolarHBondContact O-CB 3.3Å; L729-S733 PolarHBondContact O-N 3.4Å; L729-S733 PolarHBondContact O-OG 2.9Å; L729-L798 HydrophobicContact CD1-CD2 4.45Å; L729-N800 HydrophobicContact CD1-CB 4.04Å; L729-N800 HydrophobicContact CD2-CB 4.46Å; L729-L818 HydrophobicContact CD2-CD2 4.24Å; L729-L818 HydrophobicContact CD2-CG 4.44Å; L729-L818 HydrophobicContact CG-CD2 4.27Å; L729-I822 HydrophobicContact CD1-CD1 3.9Å; L729-I822 HydrophobicContact CD2-CD1 4.13Å; L729-I822 HydrophobicContact CG-CD1 3.82Å
730	E	97.5	Very high	96.4	Very high	19 Å²	19	27.2 Å²	27.2	9%	0.089	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-45	172.8	-73	176.6	-176.9	0	0	112.1	G374 R376 K377 L726 A727 S733 L818	G374-E730 WeakPolarHBondContact CA-OE2 3.36Å; G374-E730 PolarHBondContact N-OE2 2.62Å; R376-E730 HydrophobicContact CB-CB 3.87Å; R376-E730 HydrophobicContact CB-CG 4.14Å; K377-E730 WeakPolarHBondContact CB-OE2 3.26Å; L726-E730 WeakPolarHBondContact O-CG 3.35Å; L726-E730 PolarHBondContact O-N 3.07Å; A727-E730 PolarHBondContact O-N 3.33Å; E730-S733 PolarHBondContact O-OG 3.18Å; E730-L818 HydrophobicContact CG-CD2 3.47Å; E730-L818 VanDerWaalsContact CG-CD2 3.47Å
731	D	98.2	Very high	96.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-59.7	172.8	-75.4	-3.8	0	0	0	110.9	A364 A365 G374 L375 R673 V677 A727 M728 S733 L734 G735	A364-D731 HydrophobicContact CB-CB 4.38Å; A365-D731 PolarHBondContact N-OD2 3.03Å; G374-D731 WeakPolarHBondContact CA-OD1 3.5Å; L375-D731 WeakPolarHBondContact CB-OD1 3.48Å; L375-D731 PolarHBondContact N-OD1 3.19Å; R673-D731 IonicContact CZ-OD1 2.84Å; R673-D731 IonicContact CZ-OD2 3.84Å; R673-D731 VanDerWaalsContact CZ-OD2 3.31Å; R673-D731 IonicContact NE-OD1 2.96Å; R673-D731 PolarHBondContact NE-OD1 2.89Å; R673-D731 IonicContact NE-OD2 3.6Å; R673-D731 PolarHBondContact NE-OD2 3.25Å; R673-D731 VanDerWaalsContact NH2-CG 3.27Å; R673-D731 IonicContact NH2-OD1 2.69Å; R673-D731 PolarHBondContact NH2-OD1 3.46Å; R673-D731 IonicContact NH2-OD2 2.79Å; R673-D731 PolarHBondContact NH2-OD2 2.84Å; V677-D731 HydrophobicContact CG1-CB 4.18Å; V677-D731 WeakPolarHBondContact CG1-O 3.27Å; V677-D731 HydrophobicContact CG2-CB 3.82Å; A727-D731 PolarHBondContact O-N 3.01Å; A727-D731 VanDerWaalsContact O-N 3.08Å; M728-D731 PolarHBondContact O-N 3.25Å; D731-S733 VanDerWaalsContact C-N 3.3Å; D731-S733 PolarHBondContact O-N 3.1Å; D731-L734 PolarHBondContact O-N 2.78Å; D731-L734 VanDerWaalsContact O-N 3.16Å; D731-G735 PolarHBondContact O-N 3.18Å
732	M	98	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-57	-40.4	-174.7	174.6	173.7	-175.7	0	0	112.6	A362 P363 L719 M728 L729 L734 G735 I736 L798	A362-M732 HydrophobicContact CB-SD 4.49Å; P363-M732 HydrophobicContact CG-CG 4.35Å; P363-M732 PolarHBondContact O-N 3.14Å; L719-M732 HydrophobicContact CD1-SD 4.14Å; M728-M732 VanDerWaalsContact O-CB 3.23Å; M728-M732 WeakPolarHBondContact O-CB 3.29Å; M728-M732 PolarHBondContact O-N 2.93Å; L729-M732 PolarHBondContact O-N 3.44Å; M732-L734 VanDerWaalsContact C-N 3.31Å; M732-L734 PolarHBondContact O-N 3.03Å; M732-G735 PolarHBondContact O-N 2.99Å; M732-I736 HydrophobicContact CE-CD1 3.45Å; M732-I736 VanDerWaalsContact CE-CD1 3.45Å; M732-I736 HydrophobicContact CG-CD1 3.57Å; M732-I736 HydrophobicContact CG-CG1 4.39Å; M732-I736 WeakPolarHBondContact O-CB 3.26Å; M732-I736 WeakPolarHBondContact O-CG1 3.37Å; M732-I736 PolarHBondContact O-N 3.19Å; M732-I736 HydrophobicContact SD-CD1 4.39Å; M732-L798 HydrophobicContact CE-CD1 3.86Å
733	S	97.7	Very high	96.8	Very high	10 Å²	10	26.6 Å²	26.6	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-39.8	-179.6	70.7	0	0	0	0	112.7	L729 E730 D731 M737	L729-S733 VanDerWaalsContact O-CB 3.23Å; L729-S733 WeakPolarHBondContact O-CB 3.3Å; L729-S733 PolarHBondContact O-N 3.4Å; L729-S733 PolarHBondContact O-OG 2.9Å; E730-S733 PolarHBondContact O-OG 3.18Å; D731-S733 VanDerWaalsContact C-N 3.3Å; D731-S733 PolarHBondContact O-N 3.1Å; S733-M737 WeakPolarHBondContact O-CB 3.27Å; S733-M737 PolarHBondContact O-N 2.84Å
734	L	96.9	Very high	97.1	Very high	16 Å²	16	24.3 Å²	24.3	8%	0.084	12%	0.116	C	C	.	.	H	α-helix	trans	-75.5	-44.8	177.3	-69.4	-179.8	0	0	0	111.6	L375 R376 L379 D731 M732 I736 M737 D738	L375-L734 HydrophobicContact CB-CD1 3.98Å; L375-L734 HydrophobicContact CD2-CB 4.15Å; L375-L734 HydrophobicContact CD2-CD1 3.76Å; L375-L734 HydrophobicContact CG-CD1 3.58Å; R376-L734 HydrophobicContact CB-CD1 3.89Å; R376-L734 HydrophobicContact CB-CG 4.13Å; L379-L734 HydrophobicContact CD1-CD1 3.58Å; D731-L734 PolarHBondContact O-N 2.78Å; D731-L734 VanDerWaalsContact O-N 3.16Å; M732-L734 VanDerWaalsContact C-N 3.31Å; M732-L734 PolarHBondContact O-N 3.03Å; L734-I736 VanDerWaalsContact C-N 3.25Å; L734-I736 PolarHBondContact O-N 2.85Å; L734-M737 HydrophobicContact CD2-CE 3.43Å; L734-M737 VanDerWaalsContact CD2-CE 3.43Å; L734-M737 PolarHBondContact O-N 3.41Å; L734-M737 VanDerWaalsContact O-N 3.11Å; L734-D738 VanDerWaalsContact O-CG 3.23Å; L734-D738 PolarHBondContact O-N 3.07Å
735	G	97.3	Very high	97.2	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-57	-38.9	177.9	0	0	0	0	0	113.2	D731 M732	D731-G735 PolarHBondContact O-N 3.18Å; M732-G735 PolarHBondContact O-N 2.99Å
736	I	98.3	Very high	97.3	Very high	4 Å²	4	22.3 Å²	22.3	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-71.8	-41.6	176	-70.9	167.7	0	0	0	111.6	T681 F715 M732 L734 D738 L739 P796 L798	T681-I736 HydrophobicContact CG2-CB 4.41Å; T681-I736 HydrophobicContact CG2-CG1 3.55Å; F715-I736 HydrophobicContact CB-CD1 3.65Å; F715-I736 HydrophobicContact CD1-CD1 3.63Å; F715-I736 HydrophobicContact CD1-CG1 4.06Å; F715-I736 HydrophobicContact CD2-CD1 4.1Å; F715-I736 HydrophobicContact CD2-CG1 4.16Å; F715-I736 HydrophobicContact CD2-CG2 3.73Å; F715-I736 HydrophobicContact CE1-CD1 4.3Å; F715-I736 HydrophobicContact CE1-CG1 4.25Å; F715-I736 HydrophobicContact CE2-CG1 4.35Å; F715-I736 HydrophobicContact CE2-CG2 4.11Å; F715-I736 HydrophobicContact CG-CD1 3.52Å; F715-I736 HydrophobicContact CG-CG1 4.02Å; F715-I736 HydrophobicContact CG-CG2 4.25Å; F715-I736 HydrophobicContact CZ-CG1 4.4Å; M732-I736 HydrophobicContact CE-CD1 3.45Å; M732-I736 VanDerWaalsContact CE-CD1 3.45Å; M732-I736 HydrophobicContact CG-CD1 3.57Å; M732-I736 HydrophobicContact CG-CG1 4.39Å; M732-I736 WeakPolarHBondContact O-CB 3.26Å; M732-I736 WeakPolarHBondContact O-CG1 3.37Å; M732-I736 PolarHBondContact O-N 3.19Å; M732-I736 HydrophobicContact SD-CD1 4.39Å; L734-I736 VanDerWaalsContact C-N 3.25Å; L734-I736 PolarHBondContact O-N 2.85Å; I736-D738 VanDerWaalsContact C-N 3.26Å; I736-D738 PolarHBondContact O-N 2.89Å; I736-L739 VanDerWaalsContact O-CB 3.28Å; I736-L739 WeakPolarHBondContact O-CB 3.39Å; I736-L739 WeakPolarHBondContact O-CG 3.48Å; I736-L739 PolarHBondContact O-N 3.03Å; I736-P796 HydrophobicContact CG2-CB 3.81Å; I736-P796 VanDerWaalsContact O-CB 3.28Å; I736-P796 WeakPolarHBondContact O-CB 2.91Å; I736-P796 VanDerWaalsContact O-CG 3.27Å; I736-P796 WeakPolarHBondContact O-CG 3.32Å; I736-L798 HydrophobicContact CD1-CB 4.42Å; I736-L798 HydrophobicContact CD1-CD1 3.87Å; I736-L798 HydrophobicContact CD1-CD2 4.08Å; I736-L798 HydrophobicContact CD1-CG 4.34Å; I736-L798 HydrophobicContact CG2-CB 4.3Å
737	M	96.5	Very high	97.2	Very high	45 Å²	45	21.5 Å²	21.5	22%	0.222	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-36.4	177.9	-177.5	173.9	56.1	0	0	112	S733 L734 L739 R740	S733-M737 WeakPolarHBondContact O-CB 3.27Å; S733-M737 PolarHBondContact O-N 2.84Å; L734-M737 HydrophobicContact CD2-CE 3.43Å; L734-M737 VanDerWaalsContact CD2-CE 3.43Å; L734-M737 PolarHBondContact O-N 3.41Å; L734-M737 VanDerWaalsContact O-N 3.11Å; M737-L739 PolarHBondContact O-N 3.15Å; M737-R740 WeakPolarHBondContact O-CB 3.28Å; M737-R740 WeakPolarHBondContact O-CD 3.32Å; M737-R740 VanDerWaalsContact O-CG 3.22Å; M737-R740 WeakPolarHBondContact O-CG 3.48Å; M737-R740 PolarHBondContact O-N 3.41Å
738	D	97	Very high	97.1	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-65.2	-19.9	178.9	-71.6	-16.9	0	0	0	113.3	R674 F678 L734 I736 R740 N741	R674-D738 IonicContact CZ-OD1 2.66Å; R674-D738 IonicContact CZ-OD2 3.31Å; R674-D738 IonicContact NE-OD1 2.79Å; R674-D738 IonicContact NE-OD2 2.79Å; R674-D738 PolarHBondContact NE-OD2 2.86Å; R674-D738 IonicContact NH2-OD1 2.83Å; R674-D738 PolarHBondContact NH2-OD1 3.35Å; R674-D738 IonicContact NH2-OD2 2.7Å; R674-D738 PolarHBondContact NH2-OD2 3.49Å; R674-D738 VanDerWaalsContact NH2-OD2 3.12Å; F678-D738 HydrophobicContact CD2-CB 3.56Å; F678-D738 HydrophobicContact CE2-CB 3.75Å; L734-D738 VanDerWaalsContact O-CG 3.23Å; L734-D738 PolarHBondContact O-N 3.07Å; I736-D738 VanDerWaalsContact C-N 3.26Å; I736-D738 PolarHBondContact O-N 2.89Å; D738-R740 PolarHBondContact O-N 2.94Å; D738-N741 PolarHBondContact O-N 3.36Å
739	L	98	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-59.9	-17.8	174.3	-62.3	178.6	0	0	0	113.3	F678 T681 L682 L685 F715 I736 M737 N741 V742 P796	F678-L739 HydrophobicContact CE2-CD2 4.01Å; T681-L739 HydrophobicContact CG2-CD1 3.69Å; T681-L739 HydrophobicContact CG2-CD2 4.11Å; T681-L739 HydrophobicContact CG2-CG 4.01Å; L682-L739 HydrophobicContact CB-CD2 4.44Å; L685-L739 HydrophobicContact CB-CD1 4.2Å; L685-L739 HydrophobicContact CB-CD2 4.31Å; L685-L739 HydrophobicContact CD1-CD1 4.43Å; L685-L739 HydrophobicContact CD2-CB 4.19Å; L685-L739 HydrophobicContact CD2-CD1 4.07Å; L685-L739 HydrophobicContact CD2-CD2 3.83Å; L685-L739 HydrophobicContact CD2-CG 4.25Å; L685-L739 HydrophobicContact CG-CD1 4.45Å; F715-L739 HydrophobicContact CE2-CD1 3.71Å; F715-L739 HydrophobicContact CZ-CD1 3.75Å; I736-L739 VanDerWaalsContact O-CB 3.28Å; I736-L739 WeakPolarHBondContact O-CB 3.39Å; I736-L739 WeakPolarHBondContact O-CG 3.48Å; I736-L739 PolarHBondContact O-N 3.03Å; M737-L739 PolarHBondContact O-N 3.15Å; L739-N741 PolarHBondContact O-N 3.23Å; L739-V742 HydrophobicContact CD2-CG2 4.33Å; L739-V742 VanDerWaalsContact O-CB 3.3Å; L739-V742 WeakPolarHBondContact O-CB 3.44Å; L739-V742 PolarHBondContact O-N 2.93Å; L739-P796 HydrophobicContact CB-CB 4.23Å; L739-P796 HydrophobicContact CB-CG 4.15Å; L739-P796 HydrophobicContact CD1-CB 4.43Å
740	R	96.3	Very high	96.2	Very high	146 Å²	146	33.2 Å²	33.2	55%	0.551	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-60.3	-23.6	173.5	77.3	-170.7	-179.7	174.7	-3.9	113	M737 D738 V742 P796	M737-R740 WeakPolarHBondContact O-CB 3.28Å; M737-R740 WeakPolarHBondContact O-CD 3.32Å; M737-R740 VanDerWaalsContact O-CG 3.22Å; M737-R740 WeakPolarHBondContact O-CG 3.48Å; M737-R740 PolarHBondContact O-N 3.41Å; D738-R740 PolarHBondContact O-N 2.94Å; R740-V742 VanDerWaalsContact C-N 3.26Å; R740-P796 HydrophobicContact CB-CG 4.41Å
741	N	95.7	Very high	95.6	Very high	63 Å²	63	34.7 Å²	34.7	34%	0.337	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-89.1	6.6	177.7	-62.5	-8.2	0	0	0	112	D738 L739 G767 F768	D738-N741 PolarHBondContact O-N 3.36Å; L739-N741 PolarHBondContact O-N 3.23Å; N741-G767 WeakPolarHBondContact O-CA 3.47Å; N741-F768 PolarHBondContact O-N 2.76Å
742	V	97.9	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.6	177	-178.5	0	0	0	0	109.5	F678 L682 L685 L739 R740 F768 V770	F678-V742 HydrophobicContact CE2-CG2 4.13Å; F678-V742 HydrophobicContact CZ-CG2 3.63Å; L682-V742 HydrophobicContact CD1-CG1 3.9Å; L682-V742 HydrophobicContact CD1-CG2 3.9Å; L685-V742 HydrophobicContact CD2-CB 4.45Å; L685-V742 HydrophobicContact CD2-CG1 4.3Å; L739-V742 HydrophobicContact CD2-CG2 4.33Å; L739-V742 VanDerWaalsContact O-CB 3.3Å; L739-V742 WeakPolarHBondContact O-CB 3.44Å; L739-V742 PolarHBondContact O-N 2.93Å; R740-V742 VanDerWaalsContact C-N 3.26Å; V742-F768 WeakPolarHBondContact CA-O 3.49Å; V742-V770 HydrophobicContact CG1-CG2 4Å
743	T	97.8	Very high	94	Very high	32 Å²	32	42 Å²	42	20%	0.196	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	142.7	171.6	54.3	0	0	0	0	110.6	F768 N769 V770 L791 L792	T743-F768 PolarHBondContact N-O 3.1Å; T743-N769 WeakPolarHBondContact O-CA 3.5Å; T743-N769 PolarHBondContact OG1-ND2 3.39Å; T743-V770 PolarHBondContact O-N 3.39Å; T743-L791 HydrophobicContact CG2-CB 4.46Å; T743-L792 CarbonylContact C-O 3.59Å; T743-L792 WeakPolarHBondContact CA-O 3.24Å
744	F	98.4	Very high	93.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	144	172.6	-71.1	-81	0	0	0	110.7	L685 I686 F689 V770 V772 L792 V794	L685-F744 HydrophobicContact CD2-CE2 3.95Å; L685-F744 HydrophobicContact CD2-CZ 4.07Å; L685-F744 HydrophobicContact CG-CE2 4.07Å; L685-F744 HydrophobicContact CG-CZ 3.96Å; I686-F744 HydrophobicContact CG1-CE1 4.03Å; I686-F744 HydrophobicContact CG1-CZ 4.23Å; F689-F744 HydrophobicContact CB-CE1 3.91Å; F689-F744 HydrophobicContact CB-CE2 3.99Å; F689-F744 HydrophobicContact CB-CZ 3.64Å; F689-F744 HydrophobicContact CD1-CB 4.43Å; F689-F744 AromaticContact CD1-CD1 3.41Å; F689-F744 HydrophobicContact CD1-CD1 3.41Å; F689-F744 VanDerWaalsContact CD1-CD1 3.41Å; F689-F744 HydrophobicContact CD1-CD2 4.31Å; F689-F744 AromaticContact CD1-CE1 3.58Å; F689-F744 HydrophobicContact CD1-CE1 3.58Å; F689-F744 HydrophobicContact CD1-CE2 4.43Å; F689-F744 AromaticContact CD1-CG 3.81Å; F689-F744 HydrophobicContact CD1-CG 3.81Å; F689-F744 HydrophobicContact CD1-CZ 4.11Å; F689-F744 AromaticContact CD2-CD2 3.99Å; F689-F744 HydrophobicContact CD2-CD2 3.99Å; F689-F744 HydrophobicContact CD2-CE2 4.16Å; F689-F744 HydrophobicContact CD2-CG 4.18Å; F689-F744 HydrophobicContact CE1-CB 3.89Å; F689-F744 AromaticContact CE1-CD1 3.64Å; F689-F744 HydrophobicContact CE1-CD1 3.64Å; F689-F744 HydrophobicContact CE1-CE1 4.28Å; F689-F744 AromaticContact CE1-CG 3.77Å; F689-F744 HydrophobicContact CE1-CG 3.77Å; F689-F744 HydrophobicContact CE2-CB 4.23Å; F689-F744 HydrophobicContact CE2-CD2 4.21Å; F689-F744 HydrophobicContact CE2-CG 4.14Å; F689-F744 AromaticContact CG-CD1 3.89Å; F689-F744 HydrophobicContact CG-CD1 3.89Å; F689-F744 HydrophobicContact CG-CD2 4.02Å; F689-F744 AromaticContact CG-CE1 3.8Å; F689-F744 HydrophobicContact CG-CE1 3.8Å; F689-F744 AromaticContact CG-CE2 3.92Å; F689-F744 HydrophobicContact CG-CE2 3.92Å; F689-F744 AromaticContact CG-CG 4Å; F689-F744 HydrophobicContact CG-CG 4Å; F689-F744 AromaticContact CG-CZ 3.83Å; F689-F744 HydrophobicContact CG-CZ 3.83Å; F689-F744 HydrophobicContact CZ-CB 3.77Å; F689-F744 HydrophobicContact CZ-CD1 4.28Å; F689-F744 HydrophobicContact CZ-CD2 4.46Å; F689-F744 AromaticContact CZ-CG 3.94Å; F689-F744 HydrophobicContact CZ-CG 3.94Å; F744-V770 CarbonylContact C-O 3.58Å; F744-V770 WeakPolarHBondContact CA-O 3.39Å; F744-V770 HydrophobicContact CD1-CB 3.7Å; F744-V770 HydrophobicContact CD1-CG1 3.96Å; F744-V770 HydrophobicContact CE1-CB 3.78Å; F744-V770 HydrophobicContact CE1-CG1 3.82Å; F744-V770 HydrophobicContact CE1-CG2 4.25Å; F744-V772 HydrophobicContact CD1-CG2 3.95Å; F744-V772 HydrophobicContact CE1-CG2 4.39Å; F744-L792 HydrophobicContact CB-CB 4.18Å; F744-L792 PolarHBondContact N-O 3.38Å; F744-L792 PolarHBondContact O-N 3.06Å; F744-V794 HydrophobicContact CD2-CG2 3.7Å; F744-V794 HydrophobicContact CE2-CG2 3.57Å
745	K	96.8	Very high	92.5	Very high	69 Å²	69	47.7 Å²	47.7	30%	0.3	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.2	169	178.4	171.3	176.8	163.6	0	108.5	T747 V770 R771 V772 L791	K745-T747 HydrophobicContact CG-CG2 4.17Å; K745-V770 PolarHBondContact N-O 3.18Å; K745-R771 HydrophobicContact CB-CG 4.36Å; K745-R771 CarbonylContact O-C 3.58Å; K745-R771 VanDerWaalsContact O-CA 3.25Å; K745-R771 WeakPolarHBondContact O-CA 3.44Å; K745-V772 PolarHBondContact O-N 3.05Å; K745-L791 HydrophobicContact CB-CD2 4.03Å; K745-L791 HydrophobicContact CD-CD2 4.27Å; K745-L791 HydrophobicContact CG-CD2 4.5Å
746	V	96.5	Very high	92	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.9	175.6	-172.1	0	0	0	0	108.6	F689 L693 V772 L774 F779 L782 I786 L792	F689-V746 HydrophobicContact CZ-CG2 4.36Å; L693-V746 HydrophobicContact CD2-CG1 4.39Å; L693-V746 HydrophobicContact CD2-CG2 3.8Å; V746-V772 WeakPolarHBondContact CA-O 3.17Å; V746-L774 HydrophobicContact CG1-CD1 3.53Å; V746-L774 HydrophobicContact CG1-CG 3.75Å; V746-F779 HydrophobicContact CG1-CD2 4.14Å; V746-F779 HydrophobicContact CG1-CE2 4.29Å; V746-L782 HydrophobicContact CB-CD1 4.24Å; V746-L782 HydrophobicContact CG1-CD1 3.61Å; V746-I786 HydrophobicContact CB-CG2 3.77Å; V746-I786 HydrophobicContact CG2-CG2 3.87Å; V746-L792 HydrophobicContact CG2-CD1 4.15Å
747	T	94.8	Very high	91.6	Very high	31 Å²	31	50.4 Å²	50.4	19%	0.19	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.3	-179.1	55.9	0	0	0	0	110.8	K745 R771 V772 P773 L774	K745-T747 HydrophobicContact CG-CG2 4.17Å; T747-R771 HydrophobicContact CG2-CB 4.47Å; T747-R771 HydrophobicContact CG2-CG 4.48Å; T747-V772 PolarHBondContact N-O 2.94Å; T747-P773 CarbonylContact O-C 3.54Å; T747-P773 VanDerWaalsContact O-CA 3.25Å; T747-P773 WeakPolarHBondContact O-CA 3.42Å; T747-L774 PolarHBondContact O-N 3.25Å
748	Q	93.4	Very high	91.5	Very high	106 Å²	106	49.6 Å²	49.6	50%	0.495	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	134.5	170.4	-167	172.5	6.4	0	0	110.2	F779	Q748-F779 HydrophobicContact CB-CB 4.4Å; Q748-F779 HydrophobicContact CB-CD1 3.84Å; Q748-F779 HydrophobicContact CB-CD2 4.28Å; Q748-F779 HydrophobicContact CB-CE1 4.13Å; Q748-F779 HydrophobicContact CB-CG 3.9Å; Q748-F779 HydrophobicContact CB-CZ 4.48Å; Q748-F779 HydrophobicContact CG-CB 4.32Å; Q748-F779 HydrophobicContact CG-CD1 4.21Å; Q748-F779 HydrophobicContact CG-CG 4.3Å
749	A	90.4	Very high	91.4	Very high	18 Å²	18	49.2 Å²	49.2	15%	0.149	29%	0.29	C	S	.	.			trans	-70.4	144	175.3	0	0	0	0	0	110.9	M757 P773 L774	A749-M757 HydrophobicContact CB-CE 3.7Å; A749-M757 HydrophobicContact CB-SD 3.83Å; A749-P773 HydrophobicContact CB-CB 4.07Å; A749-L774 WeakPolarHBondContact CB-O 3.36Å; A749-L774 PolarHBondContact N-O 3.45Å
750	T	87.1	Confident	91.4	Very high	128 Å²	128	51.7 Å²	51.7	79%	0.785	31%	0.305	S	S	*	.	S	Bend	trans	-70.6	-34.3	178.5	41.6	0	0	0	0	112.8	D756	T750-D756 VanDerWaalsContact OG1-CG 3.24Å; T750-D756 PolarHBondContact OG1-OD2 2.81Å
751	S	84.7	Confident	91.4	Very high	50 Å²	50	45.1 Å²	45.1	35%	0.35	28%	0.28	S	S	.	.	S	Bend	trans	-148	174.9	176.3	82.4	0	0	0	0	110.8	A753 D756 M757	S751-A753 PolarHBondContact O-N 3.13Å; S751-A753 VanDerWaalsContact OG-CB 3.3Å; S751-A753 WeakPolarHBondContact OG-CB 3.39Å; S751-A753 PolarHBondContact OG-N 3.39Å; S751-A753 VanDerWaalsContact OG-N 3.12Å; S751-D756 VanDerWaalsContact CB-OD2 3.28Å; S751-D756 WeakPolarHBondContact CB-OD2 3.31Å; S751-D756 PolarHBondContact N-OD2 3.45Å; S751-D756 PolarHBondContact OG-OD2 3.02Å; S751-M757 VanDerWaalsContact O-CE 3.28Å; S751-M757 WeakPolarHBondContact O-CE 3.43Å
752	S	78.8	Confident	91.5	Very high	106 Å²	106	44.4 Å²	44.4	74%	0.741	28%	0.278	S	S	*	.	S	Bend	trans	-83.1	8.4	173.1	61.8	0	0	0	0	113.9
753	A	84.7	Confident	91.2	Very high	47 Å²	47	46.4 Å²	46.4	39%	0.388	30%	0.299	S	S	.	.	S	Bend	trans	-69.5	146	177.6	0	0	0	0	0	111.3	S751 A755 D756 M757	S751-A753 PolarHBondContact O-N 3.13Å; S751-A753 VanDerWaalsContact OG-CB 3.3Å; S751-A753 WeakPolarHBondContact OG-CB 3.39Å; S751-A753 PolarHBondContact OG-N 3.39Å; S751-A753 VanDerWaalsContact OG-N 3.12Å; A753-A755 VanDerWaalsContact C-N 3.28Å; A753-A755 PolarHBondContact O-N 3.19Å; A753-D756 PolarHBondContact O-N 3.37Å; A753-D756 VanDerWaalsContact O-N 3.11Å; A753-M757 WeakPolarHBondContact O-CG 3.37Å; A753-M757 PolarHBondContact O-N 3.36Å
754	S	79.4	Confident	91	Very high	78 Å²	78	47.9 Å²	47.9	55%	0.545	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-62.3	-33.4	-177.3	55.9	0	0	0	0	113.5	S223 D756 M757	S223-S754 WeakPolarHBondContact OG-CA 3.25Å; S754-D756 VanDerWaalsContact C-N 3.32Å; S754-D756 PolarHBondContact O-N 3.46Å; S754-M757 PolarHBondContact O-N 2.94Å
755	A	83.4	Confident	90.7	Very high	68 Å²	68	49.6 Å²	49.6	56%	0.562	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-65.1	-35.6	176.6	0	0	0	0	0	112.5	A753 M757 L758	A753-A755 VanDerWaalsContact C-N 3.28Å; A753-A755 PolarHBondContact O-N 3.19Å; A755-M757 PolarHBondContact O-N 3.02Å; A755-L758 PolarHBondContact O-N 3.5Å
756	D	86.7	Confident	90.2	Very high	59 Å²	59	52.3 Å²	52.3	32%	0.316	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-76.8	-12.1	179.5	-69.5	4.4	0	0	0	112.5	T750 S751 A753 S754 P773	T750-D756 VanDerWaalsContact OG1-CG 3.24Å; T750-D756 PolarHBondContact OG1-OD2 2.81Å; S751-D756 VanDerWaalsContact CB-OD2 3.28Å; S751-D756 WeakPolarHBondContact CB-OD2 3.31Å; S751-D756 PolarHBondContact N-OD2 3.45Å; S751-D756 PolarHBondContact OG-OD2 3.02Å; A753-D756 PolarHBondContact O-N 3.37Å; A753-D756 VanDerWaalsContact O-N 3.11Å; S754-D756 VanDerWaalsContact C-N 3.32Å; S754-D756 PolarHBondContact O-N 3.46Å; D756-P773 WeakPolarHBondContact O-CB 3.47Å; D756-P773 VanDerWaalsContact O-CG 3.23Å; D756-P773 WeakPolarHBondContact O-CG 3.45Å
757	M	89.4	Confident	90	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-92.9	-2.5	176.9	-65.1	-66	170.5	0	0	113.2	A749 S751 A753 S754 A755 P773 P775	A749-M757 HydrophobicContact CB-CE 3.7Å; A749-M757 HydrophobicContact CB-SD 3.83Å; S751-M757 VanDerWaalsContact O-CE 3.28Å; S751-M757 WeakPolarHBondContact O-CE 3.43Å; A753-M757 WeakPolarHBondContact O-CG 3.37Å; A753-M757 PolarHBondContact O-N 3.36Å; S754-M757 PolarHBondContact O-N 2.94Å; A755-M757 PolarHBondContact O-N 3.02Å; M757-P773 VanDerWaalsContact C-CG 3.43Å; M757-P773 WeakPolarHBondContact O-CG 3.31Å; M757-P775 HydrophobicContact CE-CB 4.1Å; M757-P775 HydrophobicContact CE-CG 3.69Å; M757-P775 HydrophobicContact SD-CG 3.97Å
758	L	93.4	Very high	90.1	Very high	29 Å²	29	52.5 Å²	52.5	15%	0.152	34%	0.335	C	S	.	.	S	Bend	trans	-83.5	144	179.8	-66.3	175.2	0	0	0	111.6	L254 H257 A755 P773	L254-L758 HydrophobicContact CD2-CD2 4.31Å; H257-L758 WeakPolarHBondContact NE2-CB 3.31Å; A755-L758 PolarHBondContact O-N 3.5Å; L758-P773 WeakPolarHBondContact O-CG 3.24Å
759	P	96.3	Very high	90.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	32%	0.319	C	S	.	.			trans	-66.9	147.9	179.3	28.7	-35.1	0	0	0	111.7	L254 H257 Q261 I686 I690 V770 R771	L254-P759 HydrophobicContact CD1-CG 4.28Å; L254-P759 HydrophobicContact CD2-CG 3.54Å; H257-P759 PolarHBondContact NE2-O 2.62Å; Q261-P759 PolarHBondContact NE2-O 3.46Å; I686-P759 HydrophobicContact CG2-CB 4.02Å; I686-P759 HydrophobicContact CG2-CG 3.77Å; I690-P759 HydrophobicContact CD1-CB 4.45Å; I690-P759 HydrophobicContact CD1-CG 4.11Å; P759-V770 HydrophobicContact CB-CG1 4.1Å; P759-R771 CarbonylContact C-O 3.54Å; P759-R771 VanDerWaalsContact CA-O 3.23Å; P759-R771 WeakPolarHBondContact CA-O 3.28Å
760	V	96.8	Very high	90.6	Very high	52 Å²	52	47.9 Å²	47.9	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.9	178	-175.9	0	0	0	0	110.4	Q261 T762 R771	Q261-V760 VanDerWaalsContact OE1-CA 3.29Å; V760-T762 HydrophobicContact CG1-CG2 4.47Å; V760-R771 HydrophobicContact CB-CB 4.45Å; V760-R771 VanDerWaalsContact CG1-NH2 3.34Å; V760-R771 PolarHBondContact N-O 3.3Å; V760-R771 PolarHBondContact O-N 2.98Å
761	I	97.7	Very high	91.1	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.1	-179.3	-51	175.9	0	0	0	108.9	V258 Q261 L265 L682 I686 F768	V258-I761 HydrophobicContact CB-CD1 4.18Å; V258-I761 HydrophobicContact CG1-CD1 3.6Å; V258-I761 HydrophobicContact CG2-CD1 4.18Å; Q261-I761 HydrophobicContact CB-CB 4.48Å; Q261-I761 HydrophobicContact CB-CD1 4.42Å; L265-I761 HydrophobicContact CD1-CB 4.15Å; L265-I761 HydrophobicContact CD1-CG2 3.71Å; L682-I761 HydrophobicContact CD2-CD1 4.16Å; I686-I761 HydrophobicContact CD1-CD1 4.07Å; I686-I761 HydrophobicContact CD1-CG1 4.39Å; I761-F768 HydrophobicContact CG2-CB 4.49Å; I761-F768 HydrophobicContact CG2-CD1 4Å
762	T	96.1	Very high	91.7	Very high	48 Å²	48	44.1 Å²	44.1	29%	0.294	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	166.1	176.2	57.1	0	0	0	0	109.5	V760 F768 N769	V760-T762 HydrophobicContact CG1-CG2 4.47Å; T762-F768 WeakPolarHBondContact O-CA 3.45Å; T762-N769 PolarHBondContact N-O 2.94Å; T762-N769 PolarHBondContact O-N 3.04Å; T762-N769 PolarHBondContact OG1-O 3.4Å; T762-N769 VanDerWaalsContact OG1-O 3.13Å
763	G	93.4	Very high	92.4	Very high	42 Å²	42	39.5 Å²	39.5	43%	0.433	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	101.4	-161.6	-177.6	0	0	0	0	0	112.3
764	N	92.8	Very high	92.8	Very high	63 Å²	63	37.3 Å²	37.3	34%	0.337	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	-175.6	-172.2	67.4	9	0	0	0	110.3	E269 D766 G767 F768	E269-N764 WeakPolarHBondContact OE2-CB 3.32Å; N764-D766 PolarHBondContact O-N 3.26Å; N764-D766 WeakPolarHBondContact OD1-CB 3.44Å; N764-D766 PolarHBondContact OD1-N 3.3Å; N764-G767 PolarHBondContact N-O 3.45Å; N764-G767 CarbonylContact O-C 3.34Å; N764-G767 VanDerWaalsContact O-C 3.28Å; N764-G767 PolarHBondContact O-N 2.98Å; N764-G767 PolarHBondContact OD1-N 2.9Å; N764-F768 WeakPolarHBondContact O-CD2 3.44Å; N764-F768 WeakPolarHBondContact O-CE2 3.46Å; N764-F768 VanDerWaalsContact O-CZ 3.26Å; N764-F768 WeakPolarHBondContact O-CZ 3.29Å
765	R	91.6	Very high	93.3	Very high	37 Å²	37	34.5 Å²	34.5	14%	0.14	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19.9	180	-72	175.6	-179.3	106.9	-8.8	115.6	L266 E269 D270 R273 Y305 Q671 D675	L266-R765 HydrophobicContact CD2-CG 4.03Å; E269-R765 WeakPolarHBondContact OE1-CD 3.44Å; E269-R765 IonicContact OE1-CZ 3.35Å; E269-R765 IonicContact OE1-NH1 3.39Å; E269-R765 PolarHBondContact OE1-NH1 3.05Å; E269-R765 WeakPolarHBondContact OE2-CG 3.49Å; E269-R765 PolarHBondContact OE2-N 2.84Å; E269-R765 IonicContact OE2-NH1 2.82Å; D270-R765 IonicContact OD1-CZ 3.42Å; D270-R765 IonicContact OD1-NH1 3.57Å; D270-R765 PolarHBondContact OD1-NH1 3.29Å; D270-R765 IonicContact OD1-NH2 2.69Å; D270-R765 IonicContact OD2-CZ 2.73Å; D270-R765 IonicContact OD2-NH1 3.39Å; D270-R765 PolarHBondContact OD2-NH1 2.79Å; D270-R765 IonicContact OD2-NH2 3.45Å; D270-R765 PolarHBondContact OD2-NH2 3.03Å; R273-R765 VanDerWaalsContact NH1-NH1 3.18Å; Y305-R765 PolarHBondContact OH-NH2 3.16Å; Q671-R765 VanDerWaalsContact NE2-CD 3.3Å; D675-R765 IonicContact OD1-NE 2.75Å; D675-R765 PolarHBondContact OD1-NE 3Å; D675-R765 IonicContact OD2-CZ 3.44Å; D675-R765 VanDerWaalsContact OD2-CZ 3.27Å; D675-R765 IonicContact OD2-NE 3.34Å; D675-R765 PolarHBondContact OD2-NE 2.75Å; D675-R765 IonicContact OD2-NH2 2.85Å; D675-R765 PolarHBondContact OD2-NH2 3.26Å
766	D	86.8	Confident	93.6	Very high	126 Å²	126	32 Å²	32	67%	0.674	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-26.3	176.9	-59.5	-47.6	0	0	0	112.3	N764	N764-D766 PolarHBondContact O-N 3.26Å; N764-D766 WeakPolarHBondContact OD1-CB 3.44Å; N764-D766 PolarHBondContact OD1-N 3.3Å
767	G	92.6	Very high	93.7	Very high	27 Å²	27	32.8 Å²	32.8	28%	0.278	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	131.3	176.6	0	0	0	0	0	112.8	N741 N764	N741-G767 WeakPolarHBondContact O-CA 3.47Å; N764-G767 PolarHBondContact N-O 3.45Å; N764-G767 CarbonylContact O-C 3.34Å; N764-G767 VanDerWaalsContact O-C 3.28Å; N764-G767 PolarHBondContact O-N 2.98Å; N764-G767 PolarHBondContact OD1-N 2.9Å
768	F	96.4	Very high	93.6	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.035	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.6	178.5	-67.6	-80.8	0	0	0	111	F262 L265 F678 N741 V742 T743 I761 T762 N764	F262-F768 HydrophobicContact CD2-CE1 4.12Å; F262-F768 HydrophobicContact CD2-CZ 4.13Å; F262-F768 HydrophobicContact CE2-CD1 4.42Å; F262-F768 HydrophobicContact CE2-CD2 4.31Å; F262-F768 AromaticContact CE2-CE1 3.77Å; F262-F768 HydrophobicContact CE2-CE1 3.77Å; F262-F768 AromaticContact CE2-CE2 3.63Å; F262-F768 HydrophobicContact CE2-CE2 3.63Å; F262-F768 AromaticContact CE2-CZ 3.33Å; F262-F768 HydrophobicContact CE2-CZ 3.33Å; F262-F768 HydrophobicContact CZ-CE2 4.29Å; F262-F768 HydrophobicContact CZ-CZ 4.04Å; L265-F768 HydrophobicContact CD1-CD1 4.25Å; L265-F768 HydrophobicContact CD1-CE1 4.14Å; F678-F768 HydrophobicContact CD1-CD2 4.47Å; F678-F768 HydrophobicContact CD1-CE2 4.2Å; F678-F768 AromaticContact CE1-CD2 3.39Å; F678-F768 HydrophobicContact CE1-CD2 3.39Å; F678-F768 AromaticContact CE1-CE2 3.51Å; F678-F768 HydrophobicContact CE1-CE2 3.51Å; F678-F768 HydrophobicContact CE1-CG 4.34Å; F678-F768 AromaticContact CZ-CD2 3.76Å; F678-F768 HydrophobicContact CZ-CD2 3.76Å; F678-F768 HydrophobicContact CZ-CE2 4.23Å; N741-F768 PolarHBondContact O-N 2.76Å; V742-F768 WeakPolarHBondContact CA-O 3.49Å; T743-F768 PolarHBondContact N-O 3.1Å; I761-F768 HydrophobicContact CG2-CB 4.49Å; I761-F768 HydrophobicContact CG2-CD1 4Å; T762-F768 WeakPolarHBondContact O-CA 3.45Å; N764-F768 WeakPolarHBondContact O-CD2 3.44Å; N764-F768 WeakPolarHBondContact O-CE2 3.46Å; N764-F768 VanDerWaalsContact O-CZ 3.26Å; N764-F768 WeakPolarHBondContact O-CZ 3.29Å
769	N	97.1	Very high	93.6	Very high	27 Å²	27	33.1 Å²	33.1	14%	0.144	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.8	170.9	-173.8	-97.1	0	0	0	110	T743 T762 L791	T743-N769 WeakPolarHBondContact O-CA 3.5Å; T743-N769 PolarHBondContact OG1-ND2 3.39Å; T762-N769 PolarHBondContact N-O 2.94Å; T762-N769 PolarHBondContact O-N 3.04Å; T762-N769 PolarHBondContact OG1-O 3.4Å; T762-N769 VanDerWaalsContact OG1-O 3.13Å; N769-L791 VanDerWaalsContact ND2-CD2 3.27Å; N769-L791 WeakPolarHBondContact ND2-CD2 3.46Å
770	V	98.2	Very high	93.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.5	178	-175.4	0	0	0	0	109.3	L682 I686 V742 T743 F744 K745 P759 V772	L682-V770 HydrophobicContact CD1-CG2 4.18Å; I686-V770 HydrophobicContact CD1-CG1 3.87Å; I686-V770 HydrophobicContact CD1-CG2 3.89Å; I686-V770 HydrophobicContact CG1-CG1 4.01Å; I686-V770 HydrophobicContact CG1-CG2 4.16Å; I686-V770 HydrophobicContact CG2-CG1 4.35Å; V742-V770 HydrophobicContact CG1-CG2 4Å; T743-V770 PolarHBondContact O-N 3.39Å; F744-V770 CarbonylContact C-O 3.58Å; F744-V770 WeakPolarHBondContact CA-O 3.39Å; F744-V770 HydrophobicContact CD1-CB 3.7Å; F744-V770 HydrophobicContact CD1-CG1 3.96Å; F744-V770 HydrophobicContact CE1-CB 3.78Å; F744-V770 HydrophobicContact CE1-CG1 3.82Å; F744-V770 HydrophobicContact CE1-CG2 4.25Å; K745-V770 PolarHBondContact N-O 3.18Å; P759-V770 HydrophobicContact CB-CG1 4.1Å; V770-V772 HydrophobicContact CG1-CG2 4.19Å
771	R	97.1	Very high	93	Very high	98 Å²	98	37.5 Å²	37.5	37%	0.37	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.5	172.9	-65.9	-174.2	-69.2	141	-5.3	109.9	K745 T747 P759 V760	K745-R771 HydrophobicContact CB-CG 4.36Å; K745-R771 CarbonylContact O-C 3.58Å; K745-R771 VanDerWaalsContact O-CA 3.25Å; K745-R771 WeakPolarHBondContact O-CA 3.44Å; T747-R771 HydrophobicContact CG2-CB 4.47Å; T747-R771 HydrophobicContact CG2-CG 4.48Å; P759-R771 CarbonylContact C-O 3.54Å; P759-R771 VanDerWaalsContact CA-O 3.23Å; P759-R771 WeakPolarHBondContact CA-O 3.28Å; V760-R771 HydrophobicContact CB-CB 4.45Å; V760-R771 VanDerWaalsContact CG1-NH2 3.34Å; V760-R771 PolarHBondContact N-O 3.3Å; V760-R771 PolarHBondContact O-N 2.98Å
772	V	96.5	Very high	92.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	106.9	179.3	179.6	0	0	0	0	108.7	F689 I690 L693 F744 K745 V746 T747 V770	F689-V772 HydrophobicContact CD1-CG2 3.87Å; F689-V772 HydrophobicContact CE1-CB 4.21Å; F689-V772 HydrophobicContact CE1-CG1 4.49Å; F689-V772 HydrophobicContact CE1-CG2 3.77Å; I690-V772 HydrophobicContact CD1-CG1 4.46Å; I690-V772 HydrophobicContact CG1-CG1 3.87Å; I690-V772 HydrophobicContact CG1-CG2 4.39Å; L693-V772 HydrophobicContact CD2-CG1 4.46Å; F744-V772 HydrophobicContact CD1-CG2 3.95Å; F744-V772 HydrophobicContact CE1-CG2 4.39Å; K745-V772 PolarHBondContact O-N 3.05Å; V746-V772 WeakPolarHBondContact CA-O 3.17Å; T747-V772 PolarHBondContact N-O 2.94Å; V770-V772 HydrophobicContact CG1-CG2 4.19Å
773	P	94.6	Very high	92.7	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.065	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.7	178.7	30.5	-34.4	0	0	0	111.4	L220 T747 A749 D756 M757 L758	L220-P773 WeakPolarHBondContact CD1-O 3.38Å; T747-P773 CarbonylContact O-C 3.54Å; T747-P773 VanDerWaalsContact O-CA 3.25Å; T747-P773 WeakPolarHBondContact O-CA 3.42Å; A749-P773 HydrophobicContact CB-CB 4.07Å; D756-P773 WeakPolarHBondContact O-CB 3.47Å; D756-P773 VanDerWaalsContact O-CG 3.23Å; D756-P773 WeakPolarHBondContact O-CG 3.45Å; M757-P773 VanDerWaalsContact C-CG 3.43Å; M757-P773 WeakPolarHBondContact O-CG 3.31Å; L758-P773 WeakPolarHBondContact O-CG 3.24Å
774	L	92.4	Very high	92.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	147	171.6	-67.4	-175.6	0	0	0	111.1	L220 L693 L697 V746 T747 A749 L778 F779 L782	L220-L774 HydrophobicContact CD1-CD2 4.34Å; L220-L774 HydrophobicContact CD2-CD2 3.44Å; L220-L774 VanDerWaalsContact CD2-CD2 3.44Å; L220-L774 HydrophobicContact CG-CD2 4.44Å; L693-L774 HydrophobicContact CD2-CD1 4.32Å; L693-L774 HydrophobicContact CD2-CD2 4.46Å; L697-L774 HydrophobicContact CD2-CD1 4.07Å; V746-L774 HydrophobicContact CG1-CD1 3.53Å; V746-L774 HydrophobicContact CG1-CG 3.75Å; T747-L774 PolarHBondContact O-N 3.25Å; A749-L774 WeakPolarHBondContact CB-O 3.36Å; A749-L774 PolarHBondContact N-O 3.45Å; L774-L778 HydrophobicContact CB-CB 4.44Å; L774-F779 HydrophobicContact CB-CB 4.24Å; L774-L782 HydrophobicContact CD1-CD1 3.82Å; L774-L782 HydrophobicContact CD1-CG 4.48Å
775	P	90.6	Very high	92.7	Very high	19 Å²	19	45.3 Å²	45.3	12%	0.123	24%	0.236	C	C	.	.			trans	-53.2	143.6	167.3	-19.4	27.9	0	0	0	111.6	T219 M757 L778 F779	T219-P775 VanDerWaalsContact OG1-CG 3.3Å; T219-P775 WeakPolarHBondContact OG1-CG 3.35Å; M757-P775 HydrophobicContact CE-CB 4.1Å; M757-P775 HydrophobicContact CE-CG 3.69Å; M757-P775 HydrophobicContact SD-CG 3.97Å; P775-L778 HydrophobicContact CB-CG 4.45Å; P775-L778 HydrophobicContact CG-CD1 4.02Å; P775-L778 HydrophobicContact CG-CG 4.39Å; P775-L778 WeakPolarHBondContact O-CA 3.37Å; P775-L778 PolarHBondContact O-N 3.23Å; P775-F779 PolarHBondContact O-N 3.3Å
776	G	89.2	Confident	92.8	Very high	16 Å²	16	43.6 Å²	43.6	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-43.1	-55.1	-178.8	0	0	0	0	0	114.4	L778 F779 D780	G776-L778 VanDerWaalsContact C-N 3.26Å; G776-L778 PolarHBondContact O-N 2.76Å; G776-F779 WeakPolarHBondContact O-CB 3.4Å; G776-F779 PolarHBondContact O-N 3.25Å; G776-D780 PolarHBondContact O-N 2.75Å
777	P	88	Confident	93.1	Very high	75 Å²	75	40.8 Å²	40.8	49%	0.487	21%	0.212	S	C	.	.	H	α-helix	trans	-60.9	-30.2	-179.6	-24.5	34	0	0	0	114.9	I208	I208-P777 HydrophobicContact CD1-CB 3.83Å
778	L	89.1	Confident	93.1	Very high	18 Å²	18	44.2 Å²	44.2	9%	0.094	23%	0.232	C	C	.	.	H	α-helix	trans	-80	-32.2	176.4	-63.4	-171.8	0	0	0	111.7	L697 L774 P775 G776	L697-L778 HydrophobicContact CD1-CB 3.94Å; L697-L778 HydrophobicContact CD1-CD1 3.93Å; L697-L778 HydrophobicContact CD1-CD2 3.92Å; L697-L778 HydrophobicContact CD1-CG 4.14Å; L774-L778 HydrophobicContact CB-CB 4.44Å; P775-L778 HydrophobicContact CB-CG 4.45Å; P775-L778 HydrophobicContact CG-CD1 4.02Å; P775-L778 HydrophobicContact CG-CG 4.39Å; P775-L778 WeakPolarHBondContact O-CA 3.37Å; P775-L778 PolarHBondContact O-N 3.23Å; G776-L778 VanDerWaalsContact C-N 3.26Å; G776-L778 PolarHBondContact O-N 2.76Å
779	F	92.8	Very high	92.7	Very high	20 Å²	20	44.4 Å²	44.4	9%	0.088	24%	0.236	C	C	.	.	H	α-helix	trans	-69.1	-41.4	175.2	-174.5	-99.4	0	0	0	111.5	V746 Q748 L774 P775 G776 A781 L782 Q787	V746-F779 HydrophobicContact CG1-CD2 4.14Å; V746-F779 HydrophobicContact CG1-CE2 4.29Å; Q748-F779 HydrophobicContact CB-CB 4.4Å; Q748-F779 HydrophobicContact CB-CD1 3.84Å; Q748-F779 HydrophobicContact CB-CD2 4.28Å; Q748-F779 HydrophobicContact CB-CE1 4.13Å; Q748-F779 HydrophobicContact CB-CG 3.9Å; Q748-F779 HydrophobicContact CB-CZ 4.48Å; Q748-F779 HydrophobicContact CG-CB 4.32Å; Q748-F779 HydrophobicContact CG-CD1 4.21Å; Q748-F779 HydrophobicContact CG-CG 4.3Å; L774-F779 HydrophobicContact CB-CB 4.24Å; P775-F779 PolarHBondContact O-N 3.3Å; G776-F779 WeakPolarHBondContact O-CB 3.4Å; G776-F779 PolarHBondContact O-N 3.25Å; F779-A781 PolarHBondContact O-N 2.94Å; F779-L782 HydrophobicContact CD2-CD1 3.93Å; F779-L782 HydrophobicContact CE2-CD1 4.35Å; F779-L782 WeakPolarHBondContact O-CB 3.46Å; F779-L782 PolarHBondContact O-N 2.9Å; F779-Q787 HydrophobicContact CD1-CG 4.45Å; F779-Q787 HydrophobicContact CE1-CB 4.07Å; F779-Q787 HydrophobicContact CE1-CG 4.01Å; F779-Q787 HydrophobicContact CZ-CB 3.99Å; F779-Q787 HydrophobicContact CZ-CG 4.15Å
780	D	90.8	Very high	92.5	Very high	102 Å²	102	46.3 Å²	46.3	55%	0.545	25%	0.245	S	C	.	.	H	α-helix	trans	-63.9	-23.6	179.5	-62.6	-25.6	0	0	0	112.7	G776 L782 Q787	G776-D780 PolarHBondContact O-N 2.75Å; D780-L782 VanDerWaalsContact C-N 3.3Å; D780-Q787 PolarHBondContact O-NE2 3.41Å; D780-Q787 VanDerWaalsContact O-NE2 3.17Å
781	A	89.8	Confident	92.4	Very high	43 Å²	43	50.5 Å²	50.5	36%	0.355	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-12.4	176.1	0	0	0	0	0	114	F779	F779-A781 PolarHBondContact O-N 2.94Å
782	L	93.5	Very high	92.4	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.25	C	S	.	.	S	Bend	trans	-77	158.1	-177.9	-65.2	172.2	0	0	0	112.5	L697 L703 V746 L774 F779 D780 I786 Q787	L697-L782 HydrophobicContact CD2-CD2 3.61Å; L697-L782 HydrophobicContact CD2-CG 4.48Å; L703-L782 HydrophobicContact CD1-CD2 4.44Å; L703-L782 HydrophobicContact CD2-CD2 4.08Å; V746-L782 HydrophobicContact CB-CD1 4.24Å; V746-L782 HydrophobicContact CG1-CD1 3.61Å; L774-L782 HydrophobicContact CD1-CD1 3.82Å; L774-L782 HydrophobicContact CD1-CG 4.48Å; F779-L782 HydrophobicContact CD2-CD1 3.93Å; F779-L782 HydrophobicContact CE2-CD1 4.35Å; F779-L782 WeakPolarHBondContact O-CB 3.46Å; F779-L782 PolarHBondContact O-N 2.9Å; D780-L782 VanDerWaalsContact C-N 3.3Å; L782-I786 HydrophobicContact CB-CB 4.46Å; L782-I786 HydrophobicContact CD1-CG2 3.93Å; L782-Q787 HydrophobicContact CB-CG 4.05Å; L782-Q787 PolarHBondContact O-NE2 3.18Å
783	P	93.7	Very high	92.4	Very high	27 Å²	27	54.8 Å²	54.8	18%	0.175	28%	0.283	C	S	.	.			trans	-58.5	149.4	168.3	-24.5	32.1	0	0	0	113	L703 Y707 E785 I786 Q787	L703-P783 HydrophobicContact CB-CG 3.85Å; L703-P783 HydrophobicContact CD1-CG 4.25Å; Y707-P783 HydrophobicContact CD1-CB 4.35Å; Y707-P783 HydrophobicContact CD1-CG 4.39Å; Y707-P783 HydrophobicContact CE1-CB 3.97Å; Y707-P783 HydrophobicContact CE1-CG 4.07Å; P783-E785 VanDerWaalsContact CB-OE2 3.24Å; P783-E785 WeakPolarHBondContact CB-OE2 3.28Å; P783-E785 PolarHBondContact O-N 3.37Å; P783-I786 HydrophobicContact CG-CD1 4.49Å; P783-I786 PolarHBondContact O-N 3.2Å; P783-Q787 WeakPolarHBondContact O-CG 3.25Å; P783-Q787 PolarHBondContact O-N 3.16Å
784	R	93.1	Very high	92.5	Very high	210 Å²	210	54.7 Å²	54.7	79%	0.792	28%	0.282	S	S	*	.	H	α-helix	trans	-58.7	-33	-178	-72	-173.5	176	-175.1	-0.4	112.6	Q787 S788	R784-Q787 PolarHBondContact O-N 3.38Å; R784-S788 VanDerWaalsContact O-CB 3.3Å; R784-S788 WeakPolarHBondContact O-CB 3.31Å; R784-S788 PolarHBondContact O-N 3.45Å; R784-S788 PolarHBondContact O-OG 2.93Å
785	E	92.8	Very high	92.8	Very high	81 Å²	81	57.3 Å²	57.3	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-50.2	176.5	-62.7	73.2	-160.9	0	0	110	Y707 P783 S788 M790	Y707-E785 HydrophobicContact CD1-CB 4.43Å; Y707-E785 HydrophobicContact CD2-CB 4.33Å; Y707-E785 HydrophobicContact CD2-CG 4.31Å; Y707-E785 HydrophobicContact CE2-CG 4.2Å; Y707-E785 HydrophobicContact CG-CB 4.26Å; P783-E785 VanDerWaalsContact CB-OE2 3.24Å; P783-E785 WeakPolarHBondContact CB-OE2 3.28Å; P783-E785 PolarHBondContact O-N 3.37Å; E785-S788 PolarHBondContact O-N 3.48Å; E785-S788 PolarHBondContact O-OG 3.27Å; E785-M790 HydrophobicContact CB-SD 3.93Å; E785-M790 WeakPolarHBondContact O-CB 3.28Å; E785-M790 PolarHBondContact O-N 3.03Å
786	I	93.8	Very high	93.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-42.9	178.6	-57.5	-175.9	0	0	0	110.4	L703 Y707 V746 L782 P783 S788 G789 L792	L703-I786 HydrophobicContact CD2-CD1 4.34Å; Y707-I786 HydrophobicContact CD1-CD1 4.25Å; Y707-I786 HydrophobicContact CD1-CG1 4.17Å; V746-I786 HydrophobicContact CB-CG2 3.77Å; V746-I786 HydrophobicContact CG2-CG2 3.87Å; L782-I786 HydrophobicContact CB-CB 4.46Å; L782-I786 HydrophobicContact CD1-CG2 3.93Å; P783-I786 HydrophobicContact CG-CD1 4.49Å; P783-I786 PolarHBondContact O-N 3.2Å; I786-S788 VanDerWaalsContact C-N 3.25Å; I786-S788 PolarHBondContact O-N 3.15Å; I786-G789 PolarHBondContact O-N 3.08Å; I786-L792 HydrophobicContact CG1-CD2 4.33Å
787	Q	93.4	Very high	93.6	Very high	68 Å²	68	56.1 Å²	56.1	32%	0.318	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-34.8	177.7	-65.6	-174.7	23	0	0	112.6	F779 D780 L782 P783 R784 G789	F779-Q787 HydrophobicContact CD1-CG 4.45Å; F779-Q787 HydrophobicContact CE1-CB 4.07Å; F779-Q787 HydrophobicContact CE1-CG 4.01Å; F779-Q787 HydrophobicContact CZ-CB 3.99Å; F779-Q787 HydrophobicContact CZ-CG 4.15Å; D780-Q787 PolarHBondContact O-NE2 3.41Å; D780-Q787 VanDerWaalsContact O-NE2 3.17Å; L782-Q787 HydrophobicContact CB-CG 4.05Å; L782-Q787 PolarHBondContact O-NE2 3.18Å; P783-Q787 WeakPolarHBondContact O-CG 3.25Å; P783-Q787 PolarHBondContact O-N 3.16Å; R784-Q787 PolarHBondContact O-N 3.38Å; Q787-G789 PolarHBondContact O-N 3.23Å; Q787-G789 VanDerWaalsContact O-N 3.11Å
788	S	92.1	Very high	94.1	Very high	98 Å²	98	52.9 Å²	52.9	69%	0.685	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-4.8	177.2	76.2	0	0	0	0	113.8	R784 E785 I786	R784-S788 VanDerWaalsContact O-CB 3.3Å; R784-S788 WeakPolarHBondContact O-CB 3.31Å; R784-S788 PolarHBondContact O-N 3.45Å; R784-S788 PolarHBondContact O-OG 2.93Å; E785-S788 PolarHBondContact O-N 3.48Å; E785-S788 PolarHBondContact O-OG 3.27Å; I786-S788 VanDerWaalsContact C-N 3.25Å; I786-S788 PolarHBondContact O-N 3.15Å
789	G	88.6	Confident	94.5	Very high	13 Å²	13	52 Å²	52	13%	0.134	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.5	26.3	176.7	0	0	0	0	0	114	I786 Q787	I786-G789 PolarHBondContact O-N 3.08Å; Q787-G789 PolarHBondContact O-N 3.23Å; Q787-G789 VanDerWaalsContact O-N 3.11Å
790	M	93.1	Very high	94.8	Very high	67 Å²	67	51 Å²	51	33%	0.33	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-56.2	138.7	173.6	-178.3	167.1	172.6	0	0	111.9	Y707 E785	Y707-M790 HydrophobicContact CD2-CE 4.4Å; Y707-M790 HydrophobicContact CD2-SD 4.4Å; Y707-M790 HydrophobicContact CG-SD 4.46Å; Y707-M790 WeakPolarHBondContact O-CE 3.44Å; E785-M790 HydrophobicContact CB-SD 3.93Å; E785-M790 WeakPolarHBondContact O-CB 3.28Å; E785-M790 PolarHBondContact O-N 3.03Å
791	L	94.9	Very high	95.1	Very high	88 Å²	88	46.2 Å²	46.2	46%	0.461	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-86.1	120.5	180	-60.6	-172.3	0	0	0	110.5	T743 K745 N769	T743-L791 HydrophobicContact CG2-CB 4.46Å; K745-L791 HydrophobicContact CB-CD2 4.03Å; K745-L791 HydrophobicContact CD-CD2 4.27Å; K745-L791 HydrophobicContact CG-CD2 4.5Å; N769-L791 VanDerWaalsContact ND2-CD2 3.27Å; N769-L791 WeakPolarHBondContact ND2-CD2 3.46Å
792	L	97.2	Very high	95.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.6	-177.6	-47.8	174	0	0	0	109	F689 L706 T743 F744 V746 I786	F689-L792 HydrophobicContact CE2-CD1 4.41Å; F689-L792 HydrophobicContact CZ-CD1 4.02Å; L706-L792 HydrophobicContact CD1-CB 4.36Å; L706-L792 HydrophobicContact CD1-CD1 4.31Å; L706-L792 HydrophobicContact CD2-CD1 3.78Å; L706-L792 HydrophobicContact CG-CD1 3.87Å; L706-L792 HydrophobicContact CG-CD2 4.27Å; L706-L792 HydrophobicContact CG-CG 4.45Å; T743-L792 CarbonylContact C-O 3.59Å; T743-L792 WeakPolarHBondContact CA-O 3.24Å; F744-L792 HydrophobicContact CB-CB 4.18Å; F744-L792 PolarHBondContact N-O 3.38Å; F744-L792 PolarHBondContact O-N 3.06Å; V746-L792 HydrophobicContact CG2-CD1 4.15Å; I786-L792 HydrophobicContact CG1-CD2 4.33Å
793	R	96.8	Very high	95.3	Very high	187 Å²	187	43.9 Å²	43.9	71%	0.706	21%	0.209	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	162.4	-178.7	-65.5	-178.2	177.5	179.5	-0.8	111.6	G710 L711	G710-R793 CarbonylContact C-O 3.57Å; G710-R793 VanDerWaalsContact CA-O 3.28Å; G710-R793 WeakPolarHBondContact CA-O 3.16Å; L711-R793 PolarHBondContact N-O 3.35Å
794	V	97.6	Very high	95.2	Very high	7 Å²	7	43 Å²	43	4%	0.042	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.7	178.2	-177.5	0	0	0	0	109.4	L685 L711 A713 F744 P796	L685-V794 HydrophobicContact CD1-CG1 3.9Å; L685-V794 HydrophobicContact CD2-CG1 4.04Å; L685-V794 HydrophobicContact CD2-CG2 4.18Å; L711-V794 WeakPolarHBondContact O-CA 3.41Å; A713-V794 HydrophobicContact CB-CG1 4.13Å; F744-V794 HydrophobicContact CD2-CG2 3.7Å; F744-V794 HydrophobicContact CE2-CG2 3.57Å; V794-P796 VanDerWaalsContact O-CD 3.31Å; V794-P796 WeakPolarHBondContact O-CD 3.48Å
795	Q	98	Very high	95	Very high	56 Å²	56	35.7 Å²	35.7	26%	0.262	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	95.8	172.4	-174.7	57	60.9	0	0	109.4	L711 L712 A713 Y833	L711-Q795 PolarHBondContact O-N 3Å; L712-Q795 HydrophobicContact CD1-CG 4.45Å; A713-Q795 PolarHBondContact N-O 3.12Å; Q795-Y833 HydrophobicContact CB-CD2 3.79Å; Q795-Y833 HydrophobicContact CB-CE2 4.18Å; Q795-Y833 HydrophobicContact CG-CD2 3.9Å; Q795-Y833 HydrophobicContact CG-CG 4.45Å
796	P	98.1	Very high	94.9	Very high	8 Å²	8	34.6 Å²	34.6	5%	0.052	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.8	176.4	32.4	-34.8	0	0	0	111.4	A713 I736 L739 R740 V794	A713-P796 CarbonylContact O-C 3.57Å; A713-P796 WeakPolarHBondContact O-CA 3.26Å; I736-P796 HydrophobicContact CG2-CB 3.81Å; I736-P796 VanDerWaalsContact O-CB 3.28Å; I736-P796 WeakPolarHBondContact O-CB 2.91Å; I736-P796 VanDerWaalsContact O-CG 3.27Å; I736-P796 WeakPolarHBondContact O-CG 3.32Å; L739-P796 HydrophobicContact CB-CB 4.23Å; L739-P796 HydrophobicContact CB-CG 4.15Å; L739-P796 HydrophobicContact CD1-CB 4.43Å; R740-P796 HydrophobicContact CB-CG 4.41Å; V794-P796 VanDerWaalsContact O-CD 3.31Å; V794-P796 WeakPolarHBondContact O-CD 3.48Å
797	V	98.4	Very high	94.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	142.9	169	-61.9	0	0	0	0	109.6	L712 A713 Q714 F715 F799 R829 L830	L712-V797 HydrophobicContact CD1-CG1 4.36Å; L712-V797 HydrophobicContact CD1-CG2 4.16Å; A713-V797 PolarHBondContact O-N 2.84Å; Q714-V797 HydrophobicContact CB-CG2 3.88Å; Q714-V797 HydrophobicContact CG-CG2 3.79Å; F715-V797 PolarHBondContact N-O 2.96Å; V797-F799 HydrophobicContact CB-CE2 4.33Å; V797-F799 HydrophobicContact CG2-CE2 4.19Å; V797-R829 HydrophobicContact CG1-CB 3.86Å; V797-L830 HydrophobicContact CG1-CB 4.37Å
798	L	98.6	Very high	94.7	Very high	6 Å²	6	33 Å²	33	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.6	-178	172.8	61.9	0	0	0	110.5	F715 L729 M732 I736 I822 S826	F715-L798 HydrophobicContact CB-CD1 3.81Å; F715-L798 CarbonylContact O-C 3.58Å; F715-L798 WeakPolarHBondContact O-CA 3.45Å; F715-L798 WeakPolarHBondContact O-CD1 3.44Å; L729-L798 HydrophobicContact CD1-CD2 4.45Å; M732-L798 HydrophobicContact CE-CD1 3.86Å; I736-L798 HydrophobicContact CD1-CB 4.42Å; I736-L798 HydrophobicContact CD1-CD1 3.87Å; I736-L798 HydrophobicContact CD1-CD2 4.08Å; I736-L798 HydrophobicContact CD1-CG 4.34Å; I736-L798 HydrophobicContact CG2-CB 4.3Å; L798-I822 HydrophobicContact CB-CG2 4.13Å; L798-I822 HydrophobicContact CD2-CG2 3.81Å; L798-I822 HydrophobicContact CG-CG2 3.75Å; L798-I822 VanDerWaalsContact O-CG2 3.3Å; L798-I822 WeakPolarHBondContact O-CG2 3.39Å; L798-S826 PolarHBondContact N-OG 2.79Å; L798-S826 WeakPolarHBondContact O-CB 3.37Å; L798-S826 PolarHBondContact O-OG 3.01Å
799	F	98.5	Very high	94.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	123.5	170.5	-68.3	-88.2	0	0	0	110	Q714 F715 E716 S717 V797 N823 L827 L830 L862 V866 I876 L877 A880	Q714-F799 HydrophobicContact CG-CD2 4.33Å; F715-F799 PolarHBondContact O-N 3.47Å; E716-F799 WeakPolarHBondContact CA-O 3.47Å; S717-F799 PolarHBondContact N-O 3.02Å; V797-F799 HydrophobicContact CB-CE2 4.33Å; V797-F799 HydrophobicContact CG2-CE2 4.19Å; F799-N823 VanDerWaalsContact CA-OD1 3.28Å; F799-N823 WeakPolarHBondContact CA-OD1 3.34Å; F799-N823 HydrophobicContact CD1-CB 4.39Å; F799-L827 HydrophobicContact CE1-CB 4.38Å; F799-L830 HydrophobicContact CE2-CD2 4.16Å; F799-L830 HydrophobicContact CZ-CD2 4.12Å; F799-L862 HydrophobicContact CE1-CD1 4.31Å; F799-L862 HydrophobicContact CE1-CD2 4.14Å; F799-L862 HydrophobicContact CZ-CD2 3.89Å; F799-V866 HydrophobicContact CE1-CG2 4.3Å; F799-I876 HydrophobicContact CB-CG2 4.33Å; F799-I876 HydrophobicContact CD1-CG2 3.69Å; F799-I876 HydrophobicContact CE1-CG2 4.48Å; F799-I876 HydrophobicContact CG-CG2 4.36Å; F799-L877 HydrophobicContact CB-CD2 4.09Å; F799-A880 HydrophobicContact CB-CB 4.44Å; F799-A880 HydrophobicContact CD1-CB 4.43Å; F799-A880 HydrophobicContact CD2-CB 3.61Å; F799-A880 HydrophobicContact CE2-CB 3.86Å; F799-A880 HydrophobicContact CG-CB 3.9Å; F799-A880 HydrophobicContact CZ-CB 4.38Å
800	N	98	Very high	94.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.6	180	-173.1	82	0	0	0	111.3	S717 L719 L729 Q819 N823	S717-N800 WeakPolarHBondContact CB-OD1 3.33Å; S717-N800 WeakPolarHBondContact O-CA 3.29Å; S717-N800 PolarHBondContact O-OD1 3.08Å; S717-N800 PolarHBondContact OG-OD1 3.02Å; L719-N800 PolarHBondContact N-OD1 2.96Å; L719-N800 PolarHBondContact O-ND2 2.7Å; L719-N800 PolarHBondContact O-OD1 2.96Å; L729-N800 HydrophobicContact CD1-CB 4.04Å; L729-N800 HydrophobicContact CD2-CB 4.46Å; N800-Q819 HydrophobicContact CB-CG 4.21Å; N800-Q819 PolarHBondContact ND2-OE1 3.42Å; N800-Q819 VanDerWaalsContact O-CD 3.25Å; N800-Q819 WeakPolarHBondContact O-CG 3.35Å; N800-Q819 PolarHBondContact O-OE1 3.22Å; N800-N823 PolarHBondContact N-OD1 3.13Å; N800-N823 PolarHBondContact O-ND2 2.66Å; N800-N823 PolarHBondContact O-OD1 3.43Å
801	V	97	Very high	94.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.144	C	C	.	.			trans	-142	111.8	165.4	-179.6	0	0	0	0	108.7	S717 L718 V874 I876 L877	S717-V801 PolarHBondContact O-N 2.75Å; L718-V801 WeakPolarHBondContact CA-O 3.33Å; V801-V874 HydrophobicContact CG1-CG1 4.29Å; V801-I876 HydrophobicContact CG2-CB 4.18Å; V801-I876 HydrophobicContact CG2-CD1 4.3Å; V801-L877 HydrophobicContact CB-CD1 3.95Å; V801-L877 HydrophobicContact CB-CD2 4.13Å; V801-L877 HydrophobicContact CB-CG 3.98Å; V801-L877 HydrophobicContact CG2-CD1 4.38Å; V801-L877 HydrophobicContact CG2-CD2 3.77Å; V801-L877 HydrophobicContact CG2-CG 3.85Å
802	G	95.3	Very high	94.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.155	C	C	.	.			trans	-63.6	136.1	171.6	0	0	0	0	0	111.8	L719 Q807	L719-G802 VanDerWaalsContact O-CA 3.31Å; L719-G802 WeakPolarHBondContact O-CA 3.49Å; L719-G802 PolarHBondContact O-N 3.36Å; G802-Q807 VanDerWaalsContact O-CG 3.32Å; G802-Q807 WeakPolarHBondContact O-CG 3.36Å
803	I	93.3	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.19	C	C	.	.			trans	-116.6	-12.2	-178.9	63.4	170.2	0	0	0	114.4	L718 V874 R901 F961 P962 Y965	L718-I803 HydrophobicContact CB-CG1 4.41Å; L718-I803 HydrophobicContact CD1-CD1 4.27Å; L718-I803 HydrophobicContact CD2-CD1 4.34Å; L718-I803 HydrophobicContact CD2-CG2 4.17Å; I803-V874 HydrophobicContact CG2-CG1 3.89Å; I803-R901 HydrophobicContact CD1-CB 4.19Å; I803-R901 HydrophobicContact CD1-CG 4.13Å; I803-R901 HydrophobicContact CG1-CG 4.41Å; I803-F961 HydrophobicContact CD1-CD1 4.16Å; I803-F961 HydrophobicContact CD1-CE1 3.93Å; I803-F961 HydrophobicContact CG1-CD1 4.45Å; I803-F961 HydrophobicContact CG1-CE1 4.17Å; I803-P962 HydrophobicContact CB-CG 4.46Å; I803-P962 HydrophobicContact CG2-CG 4.42Å; I803-Y965 HydrophobicContact CD1-CD1 3.53Å; I803-Y965 HydrophobicContact CD1-CE1 4.14Å; I803-Y965 HydrophobicContact CD1-CG 4.09Å
804	N	89.9	Confident	93	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.043	18%	0.177	C	C	.	.	S	Bend	trans	-86	-176.5	-171.8	72.2	-5.1	0	0	0	113.1	S720 Q806 Q807 T808 K872 R901 F961	S720-N804 WeakPolarHBondContact CB-OD1 3.46Å; N804-Q806 VanDerWaalsContact C-N 3.32Å; N804-Q806 PolarHBondContact OD1-N 2.63Å; N804-Q807 PolarHBondContact O-N 3.09Å; N804-Q807 PolarHBondContact OD1-N 3.27Å; N804-T808 PolarHBondContact O-N 3.29Å; N804-T808 PolarHBondContact O-OG1 2.79Å; N804-K872 PolarHBondContact O-NZ 3.31Å; N804-R901 PolarHBondContact ND2-NH1 3.13Å; N804-F961 HydrophobicContact CB-CE2 3.84Å; N804-F961 HydrophobicContact CB-CZ 4.01Å
805	E	90.6	Very high	92.5	Very high	57 Å²	57	40.9 Å²	40.9	27%	0.266	20%	0.2	S	C	.	.	H	α-helix	trans	-62	-37.9	175.1	71	-77.2	-168.7	0	0	112.5	Q807 T808 L809 Q957 A960	E805-Q807 VanDerWaalsContact C-N 3.28Å; E805-Q807 PolarHBondContact O-N 3.38Å; E805-T808 WeakPolarHBondContact O-CA 3.44Å; E805-T808 WeakPolarHBondContact O-CB 3.2Å; E805-T808 PolarHBondContact O-N 3.27Å; E805-T808 PolarHBondContact O-OG1 2.9Å; E805-T808 VanDerWaalsContact O-OG1 3.11Å; E805-L809 PolarHBondContact O-N 3.09Å; E805-L809 VanDerWaalsContact O-N 3.14Å; E805-Q957 HydrophobicContact CG-CG 4.4Å; E805-Q957 PolarHBondContact OE1-NE2 3.16Å; E805-A960 HydrophobicContact CB-CB 3.93Å
806	Q	89.6	Confident	92.2	Very high	59 Å²	59	39.7 Å²	39.7	28%	0.276	20%	0.197	S	C	.	.	H	α-helix	trans	-63.4	-34.3	178.4	-65.2	-175.7	-32	0	0	111.8	S720 Y722 N804 T808 L809 A810	S720-Q806 WeakPolarHBondContact OG-CB 3.39Å; S720-Q806 PolarHBondContact OG-OE1 3.19Å; Y722-Q806 HydrophobicContact CD1-CB 4.49Å; N804-Q806 VanDerWaalsContact C-N 3.32Å; N804-Q806 PolarHBondContact OD1-N 2.63Å; Q806-T808 VanDerWaalsContact C-N 3.31Å; Q806-T808 PolarHBondContact O-N 2.85Å; Q806-L809 WeakPolarHBondContact O-CB 3.35Å; Q806-L809 PolarHBondContact O-N 2.99Å; Q806-A810 PolarHBondContact O-N 2.78Å
807	Q	92.6	Very high	91.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-39.2	171.1	-173.9	64.1	21.7	0	0	111.9	S720 G802 N804 E805 L809 A810 E811 K872	S720-Q807 VanDerWaalsContact CA-OE1 3.24Å; G802-Q807 VanDerWaalsContact O-CG 3.32Å; G802-Q807 WeakPolarHBondContact O-CG 3.36Å; N804-Q807 PolarHBondContact O-N 3.09Å; N804-Q807 PolarHBondContact OD1-N 3.27Å; E805-Q807 VanDerWaalsContact C-N 3.28Å; E805-Q807 PolarHBondContact O-N 3.38Å; Q807-L809 PolarHBondContact O-N 3.11Å; Q807-A810 WeakPolarHBondContact O-CB 3.35Å; Q807-A810 PolarHBondContact O-N 3.17Å; Q807-A810 VanDerWaalsContact O-N 3.09Å; Q807-E811 HydrophobicContact CG-CG 4.31Å; Q807-E811 WeakPolarHBondContact O-CG 3.45Å; Q807-E811 PolarHBondContact O-N 3Å; Q807-K872 HydrophobicContact CG-CG 4.2Å
808	T	90.5	Very high	91.7	Very high	34 Å²	34	42.5 Å²	42.5	21%	0.209	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-35.3	175.7	-30.5	0	0	0	0	111.5	N804 E805 Q806 R812 K872	N804-T808 PolarHBondContact O-N 3.29Å; N804-T808 PolarHBondContact O-OG1 2.79Å; E805-T808 WeakPolarHBondContact O-CA 3.44Å; E805-T808 WeakPolarHBondContact O-CB 3.2Å; E805-T808 PolarHBondContact O-N 3.27Å; E805-T808 PolarHBondContact O-OG1 2.9Å; E805-T808 VanDerWaalsContact O-OG1 3.11Å; Q806-T808 VanDerWaalsContact C-N 3.31Å; Q806-T808 PolarHBondContact O-N 2.85Å; T808-R812 WeakPolarHBondContact O-CB 3.2Å; T808-R812 WeakPolarHBondContact O-CG 3.46Å; T808-R812 PolarHBondContact O-N 2.82Å; T808-K872 WeakPolarHBondContact OG1-CE 3.41Å; T808-K872 PolarHBondContact OG1-NZ 2.98Å
809	L	88.8	Confident	91.5	Very high	73 Å²	73	43.2 Å²	43.2	38%	0.382	22%	0.218	S	C	.	.	H	α-helix	trans	-68.6	-41.9	174.2	-62.8	175.3	0	0	0	110.7	Y722 E805 Q806 Q807 R812 F813 G814	Y722-L809 HydrophobicContact CE1-CD1 4.46Å; E805-L809 PolarHBondContact O-N 3.09Å; E805-L809 VanDerWaalsContact O-N 3.14Å; Q806-L809 WeakPolarHBondContact O-CB 3.35Å; Q806-L809 PolarHBondContact O-N 2.99Å; Q807-L809 PolarHBondContact O-N 3.11Å; L809-R812 PolarHBondContact O-N 3.38Å; L809-F813 HydrophobicContact CD2-CD2 4.47Å; L809-F813 PolarHBondContact O-N 3.48Å; L809-G814 PolarHBondContact O-N 2.89Å
810	A	88.7	Confident	91.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-48.2	175.9	0	0	0	0	0	112.2	T721 Y722 Q806 Q807 R812 G814 T816	T721-A810 VanDerWaalsContact OG1-CB 3.25Å; T721-A810 WeakPolarHBondContact OG1-CB 3.48Å; Y722-A810 HydrophobicContact CD2-CB 4.5Å; Q806-A810 PolarHBondContact O-N 2.78Å; Q807-A810 WeakPolarHBondContact O-CB 3.35Å; Q807-A810 PolarHBondContact O-N 3.17Å; Q807-A810 VanDerWaalsContact O-N 3.09Å; A810-R812 VanDerWaalsContact C-N 3.28Å; A810-R812 PolarHBondContact O-N 2.82Å; A810-G814 CarbonylContact O-C 3.5Å; A810-G814 WeakPolarHBondContact O-CA 3.42Å; A810-G814 PolarHBondContact O-N 3.03Å; A810-T816 HydrophobicContact CB-CG2 4.2Å
811	E	89.4	Confident	91.3	Very high	54 Å²	54	51 Å²	51	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-65.7	-29.9	-179.4	-70.6	172.5	165.9	0	0	113	Q807 T816 K872	Q807-E811 HydrophobicContact CG-CG 4.31Å; Q807-E811 WeakPolarHBondContact O-CG 3.45Å; Q807-E811 PolarHBondContact O-N 3Å; E811-T816 HydrophobicContact CG-CG2 4.2Å; E811-K872 VanDerWaalsContact OE1-CG 3.31Å; E811-K872 WeakPolarHBondContact OE1-CG 3.46Å; E811-K872 PolarHBondContact OE1-N 3.05Å
812	R	88.4	Confident	91.3	Very high	188 Å²	188	51.2 Å²	51.2	71%	0.709	26%	0.26	S	S	*	.	H	α-helix	trans	-90.6	-36.4	-178.5	-71.9	-176.4	-180	-153.5	-0.2	113.9	T808 L809 A810	T808-R812 WeakPolarHBondContact O-CB 3.2Å; T808-R812 WeakPolarHBondContact O-CG 3.46Å; T808-R812 PolarHBondContact O-N 2.82Å; L809-R812 PolarHBondContact O-N 3.38Å; A810-R812 VanDerWaalsContact C-N 3.28Å; A810-R812 PolarHBondContact O-N 2.82Å
813	F	87.1	Confident	91.4	Very high	170 Å²	170	51.5 Å²	51.5	75%	0.746	26%	0.261	S	S	*	.	H	α-helix	trans	-137.4	-8.9	-167.1	-56.1	-68.6	0	0	0	114	L809	L809-F813 HydrophobicContact CD2-CD2 4.47Å; L809-F813 PolarHBondContact O-N 3.48Å
814	G	84.1	Confident	91.6	Very high	41 Å²	41	54 Å²	54	42%	0.423	28%	0.277	S	S	.	.	S	Bend	trans	-112	-163.7	-176	0	0	0	0	0	112.9	L809 A810	L809-G814 PolarHBondContact O-N 2.89Å; A810-G814 CarbonylContact O-C 3.5Å; A810-G814 WeakPolarHBondContact O-CA 3.42Å; A810-G814 PolarHBondContact O-N 3.03Å
815	D	87.1	Confident	92	Very high	100 Å²	100	56.2 Å²	56.2	54%	0.535	29%	0.287	S	S	.	.			trans	-109	134.2	176.8	-173.2	12.1	0	0	0	110.2	T721 S817	T721-D815 WeakPolarHBondContact CB-O 3.32Å; T721-D815 PolarHBondContact OG1-O 3.35Å; D815-S817 WeakPolarHBondContact OD1-CB 3.36Å; D815-S817 PolarHBondContact OD1-N 2.96Å; D815-S817 PolarHBondContact OD1-OG 3.01Å; D815-S817 PolarHBondContact OD2-OG 3.1Å
816	T	91.4	Very high	92.4	Very high	31 Å²	31	53.7 Å²	53.7	19%	0.19	28%	0.275	C	S	.	.			trans	-116.1	2.2	176.7	58	0	0	0	0	112.1	A810 E811 L818 Q819 E820	A810-T816 HydrophobicContact CB-CG2 4.2Å; E811-T816 HydrophobicContact CG-CG2 4.2Å; T816-L818 VanDerWaalsContact C-N 3.3Å; T816-L818 PolarHBondContact O-N 3.37Å; T816-Q819 WeakPolarHBondContact O-CB 3.48Å; T816-Q819 PolarHBondContact O-N 2.76Å; T816-E820 PolarHBondContact O-N 3.13Å
817	S	92.9	Very high	92.8	Very high	47 Å²	47	51.2 Å²	51.2	33%	0.329	26%	0.264	S	S	.	.	H	α-helix	trans	-53.4	-42.7	-176.3	67.1	0	0	0	0	113	D815 Q819 E820 V821	D815-S817 WeakPolarHBondContact OD1-CB 3.36Å; D815-S817 PolarHBondContact OD1-N 2.96Å; D815-S817 PolarHBondContact OD1-OG 3.01Å; D815-S817 PolarHBondContact OD2-OG 3.1Å; S817-Q819 VanDerWaalsContact C-N 3.31Å; S817-Q819 PolarHBondContact O-N 3.42Å; S817-E820 PolarHBondContact O-N 2.95Å; S817-E820 VanDerWaalsContact O-N 3.17Å; S817-V821 VanDerWaalsContact O-CG2 3.32Å; S817-V821 WeakPolarHBondContact O-CG2 3.27Å; S817-V821 PolarHBondContact O-N 3.05Å
818	L	93.9	Very high	93	Very high	23 Å²	23	55.6 Å²	55.6	12%	0.12	29%	0.29	C	S	.	.	H	α-helix	trans	-61	-40.5	179.7	-180	62.4	0	0	0	111.9	L726 L729 E730 T816 I822	L726-L818 HydrophobicContact CD1-CB 4.4Å; L726-L818 HydrophobicContact CD1-CD2 3.74Å; L729-L818 HydrophobicContact CD2-CD2 4.24Å; L729-L818 HydrophobicContact CD2-CG 4.44Å; L729-L818 HydrophobicContact CG-CD2 4.27Å; E730-L818 HydrophobicContact CG-CD2 3.47Å; E730-L818 VanDerWaalsContact CG-CD2 3.47Å; T816-L818 VanDerWaalsContact C-N 3.3Å; T816-L818 PolarHBondContact O-N 3.37Å; L818-I822 HydrophobicContact CD1-CD1 3.89Å; L818-I822 HydrophobicContact CD1-CG1 4.17Å; L818-I822 HydrophobicContact CD2-CD1 4.45Å; L818-I822 HydrophobicContact CG-CD1 3.79Å; L818-I822 HydrophobicContact CG-CG1 4.46Å; L818-I822 WeakPolarHBondContact O-CB 3.41Å; L818-I822 WeakPolarHBondContact O-CD1 3.47Å; L818-I822 WeakPolarHBondContact O-CG1 3.33Å; L818-I822 PolarHBondContact O-N 2.84Å
819	Q	95.3	Very high	93.4	Very high	20 Å²	20	57.4 Å²	57.4	9%	0.093	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-43.6	176.5	174.4	-179.2	-76.1	0	0	111	T721 N800 T816 S817 I822 N823	T721-Q819 HydrophobicContact CG2-CB 3.53Å; N800-Q819 HydrophobicContact CB-CG 4.21Å; N800-Q819 PolarHBondContact ND2-OE1 3.42Å; N800-Q819 VanDerWaalsContact O-CD 3.25Å; N800-Q819 WeakPolarHBondContact O-CG 3.35Å; N800-Q819 PolarHBondContact O-OE1 3.22Å; T816-Q819 WeakPolarHBondContact O-CB 3.48Å; T816-Q819 PolarHBondContact O-N 2.76Å; S817-Q819 VanDerWaalsContact C-N 3.31Å; S817-Q819 PolarHBondContact O-N 3.42Å; Q819-I822 PolarHBondContact O-N 2.85Å; Q819-N823 WeakPolarHBondContact O-CB 3.39Å; Q819-N823 VanDerWaalsContact O-CG 3.22Å; Q819-N823 PolarHBondContact O-N 2.8Å; Q819-N823 PolarHBondContact O-ND2 2.95Å
820	E	94.4	Very high	93.8	Very high	103 Å²	103	54 Å²	54	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-60.9	-48.4	177.3	-63.9	179.6	168.6	0	0	111	T816 S817 I822 N823 V824	T816-E820 PolarHBondContact O-N 3.13Å; S817-E820 PolarHBondContact O-N 2.95Å; S817-E820 VanDerWaalsContact O-N 3.17Å; E820-I822 PolarHBondContact O-N 3.19Å; E820-N823 PolarHBondContact O-N 3.06Å; E820-V824 WeakPolarHBondContact O-CB 3.24Å; E820-V824 VanDerWaalsContact O-CG2 3.28Å; E820-V824 WeakPolarHBondContact O-CG2 3.28Å; E820-V824 PolarHBondContact O-N 2.83Å
821	V	96.4	Very high	94.2	Very high	62 Å²	62	56.6 Å²	56.6	38%	0.376	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-49	177.2	170.8	0	0	0	0	111	S817 N823 V824 E825	S817-V821 VanDerWaalsContact O-CG2 3.32Å; S817-V821 WeakPolarHBondContact O-CG2 3.27Å; S817-V821 PolarHBondContact O-N 3.05Å; V821-N823 VanDerWaalsContact C-N 3.34Å; V821-N823 PolarHBondContact O-N 3.12Å; V821-V824 PolarHBondContact O-N 3.41Å; V821-E825 HydrophobicContact CG1-CG 4.26Å; V821-E825 WeakPolarHBondContact CG1-OE1 3.49Å; V821-E825 WeakPolarHBondContact O-CB 3.33Å; V821-E825 VanDerWaalsContact O-CG 3.32Å; V821-E825 WeakPolarHBondContact O-CG 3.48Å; V821-E825 PolarHBondContact O-N 3.4Å
822	I	97.3	Very high	94.6	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-58.7	-46.5	178.4	-72.9	168	0	0	0	110.9	L729 L798 L818 Q819 E820 S826	L729-I822 HydrophobicContact CD1-CD1 3.9Å; L729-I822 HydrophobicContact CD2-CD1 4.13Å; L729-I822 HydrophobicContact CG-CD1 3.82Å; L798-I822 HydrophobicContact CB-CG2 4.13Å; L798-I822 HydrophobicContact CD2-CG2 3.81Å; L798-I822 HydrophobicContact CG-CG2 3.75Å; L798-I822 VanDerWaalsContact O-CG2 3.3Å; L798-I822 WeakPolarHBondContact O-CG2 3.39Å; L818-I822 HydrophobicContact CD1-CD1 3.89Å; L818-I822 HydrophobicContact CD1-CG1 4.17Å; L818-I822 HydrophobicContact CD2-CD1 4.45Å; L818-I822 HydrophobicContact CG-CD1 3.79Å; L818-I822 HydrophobicContact CG-CG1 4.46Å; L818-I822 WeakPolarHBondContact O-CB 3.41Å; L818-I822 WeakPolarHBondContact O-CD1 3.47Å; L818-I822 WeakPolarHBondContact O-CG1 3.33Å; L818-I822 PolarHBondContact O-N 2.84Å; Q819-I822 PolarHBondContact O-N 2.85Å; E820-I822 PolarHBondContact O-N 3.19Å; I822-S826 VanDerWaalsContact O-CB 3.3Å; I822-S826 WeakPolarHBondContact O-CB 3.42Å; I822-S826 PolarHBondContact O-N 2.75Å; I822-S826 PolarHBondContact O-OG 3.43Å; I822-S826 VanDerWaalsContact O-OG 3.05Å
823	N	97.8	Very high	95	Very high	5 Å²	5	48 Å²	48	3%	0.027	26%	0.264	C	S	.	.	H	α-helix	trans	-66.9	-39.9	-178.5	-72.1	-17.6	0	0	0	112.2	F799 N800 Q819 E820 V821 L827 V866	F799-N823 VanDerWaalsContact CA-OD1 3.28Å; F799-N823 WeakPolarHBondContact CA-OD1 3.34Å; F799-N823 HydrophobicContact CD1-CB 4.39Å; N800-N823 PolarHBondContact N-OD1 3.13Å; N800-N823 PolarHBondContact O-ND2 2.66Å; N800-N823 PolarHBondContact O-OD1 3.43Å; Q819-N823 WeakPolarHBondContact O-CB 3.39Å; Q819-N823 VanDerWaalsContact O-CG 3.22Å; Q819-N823 PolarHBondContact O-N 2.8Å; Q819-N823 PolarHBondContact O-ND2 2.95Å; E820-N823 PolarHBondContact O-N 3.06Å; V821-N823 VanDerWaalsContact C-N 3.34Å; V821-N823 PolarHBondContact O-N 3.12Å; N823-L827 WeakPolarHBondContact O-CB 3.38Å; N823-L827 PolarHBondContact O-N 3.34Å; N823-V866 HydrophobicContact CB-CG1 4.09Å; N823-V866 HydrophobicContact CB-CG2 4.45Å
824	V	98	Very high	95.4	Very high	54 Å²	54	40.6 Å²	40.6	33%	0.327	23%	0.231	S	C	.	.	H	α-helix	trans	-66.1	-48.6	176.4	170.1	0	0	0	0	110.8	E820 V821 S826 L827 V828 V866	E820-V824 WeakPolarHBondContact O-CB 3.24Å; E820-V824 VanDerWaalsContact O-CG2 3.28Å; E820-V824 WeakPolarHBondContact O-CG2 3.28Å; E820-V824 PolarHBondContact O-N 2.83Å; V821-V824 PolarHBondContact O-N 3.41Å; V824-S826 VanDerWaalsContact C-N 3.29Å; V824-S826 PolarHBondContact O-N 3.34Å; V824-L827 WeakPolarHBondContact O-CB 3.45Å; V824-L827 PolarHBondContact O-N 2.84Å; V824-V828 WeakPolarHBondContact O-CG2 3.4Å; V824-V828 PolarHBondContact O-N 2.92Å; V824-V866 HydrophobicContact CG2-CG1 3.76Å
825	E	97.4	Very high	96	Very high	53 Å²	53	43 Å²	43	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-40.3	178	-69.8	-177.8	-154.7	0	0	111.5	R376 V821 V828 R829	R376-E825 IonicContact NH1-OE1 2.62Å; R376-E825 IonicContact NH2-OE1 3.79Å; R376-E825 PolarHBondContact NH2-OE1 3.12Å; R376-E825 VanDerWaalsContact NH2-OE1 3.16Å; V821-E825 HydrophobicContact CG1-CG 4.26Å; V821-E825 WeakPolarHBondContact CG1-OE1 3.49Å; V821-E825 WeakPolarHBondContact O-CB 3.33Å; V821-E825 VanDerWaalsContact O-CG 3.32Å; V821-E825 WeakPolarHBondContact O-CG 3.48Å; V821-E825 PolarHBondContact O-N 3.4Å; E825-V828 PolarHBondContact O-N 3Å; E825-R829 VanDerWaalsContact CB-NH1 3.33Å; E825-R829 WeakPolarHBondContact O-CG 3.38Å; E825-R829 PolarHBondContact O-N 3.11Å; E825-R829 VanDerWaalsContact O-N 3.13Å; E825-R829 IonicContact OE2-CZ 3.02Å; E825-R829 IonicContact OE2-NH1 3.93Å; E825-R829 PolarHBondContact OE2-NH1 3.1Å; E825-R829 VanDerWaalsContact OE2-NH1 3.13Å; E825-R829 IonicContact OE2-NH2 2.72Å; E825-R829 PolarHBondContact OE2-NH2 3.21Å
826	S	98.1	Very high	96.3	Very high	4 Å²	4	42.2 Å²	42.2	3%	0.028	22%	0.224	C	C	.	.	H	α-helix	trans	-69.2	-36.4	177.6	-70.2	0	0	0	0	113.1	L798 I822 V824 R829 L830	L798-S826 PolarHBondContact N-OG 2.79Å; L798-S826 WeakPolarHBondContact O-CB 3.37Å; L798-S826 PolarHBondContact O-OG 3.01Å; I822-S826 VanDerWaalsContact O-CB 3.3Å; I822-S826 WeakPolarHBondContact O-CB 3.42Å; I822-S826 PolarHBondContact O-N 2.75Å; I822-S826 PolarHBondContact O-OG 3.43Å; I822-S826 VanDerWaalsContact O-OG 3.05Å; V824-S826 VanDerWaalsContact C-N 3.29Å; V824-S826 PolarHBondContact O-N 3.34Å; S826-R829 PolarHBondContact O-N 2.86Å; S826-L830 WeakPolarHBondContact O-CB 3.14Å; S826-L830 PolarHBondContact O-N 3.32Å
827	L	98.3	Very high	96.5	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-44.8	172.7	175.7	66.1	0	0	0	111.3	F799 N823 V824 R829 L830 N831 L862 V866	F799-L827 HydrophobicContact CE1-CB 4.38Å; N823-L827 WeakPolarHBondContact O-CB 3.38Å; N823-L827 PolarHBondContact O-N 3.34Å; V824-L827 WeakPolarHBondContact O-CB 3.45Å; V824-L827 PolarHBondContact O-N 2.84Å; L827-R829 VanDerWaalsContact C-N 3.35Å; L827-R829 PolarHBondContact O-N 3.04Å; L827-L830 PolarHBondContact O-N 3.22Å; L827-N831 WeakPolarHBondContact O-CB 3.37Å; L827-N831 PolarHBondContact O-N 3.39Å; L827-N831 PolarHBondContact O-ND2 3.41Å; L827-L862 HydrophobicContact CD1-CD2 3.98Å; L827-L862 HydrophobicContact CD1-CG 4.03Å; L827-V866 HydrophobicContact CD2-CB 4.19Å; L827-V866 HydrophobicContact CD2-CG1 4.21Å; L827-V866 HydrophobicContact CD2-CG2 4.43Å
828	V	98	Very high	96.5	Very high	92 Å²	92	45.1 Å²	45.1	56%	0.558	23%	0.229	S	C	*	.	H	α-helix	trans	-60.2	-45.6	177.2	172.7	0	0	0	0	110.9	V824 E825 N831 S832	V824-V828 WeakPolarHBondContact O-CG2 3.4Å; V824-V828 PolarHBondContact O-N 2.92Å; E825-V828 PolarHBondContact O-N 3Å; V828-N831 PolarHBondContact O-N 3.06Å; V828-S832 WeakPolarHBondContact O-CB 3.36Å; V828-S832 PolarHBondContact O-N 3.47Å
829	R	97.4	Very high	96.4	Very high	73 Å²	73	51.5 Å²	51.5	28%	0.275	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-40.9	177.7	-70.2	178.5	-170.2	107.9	4.5	112.4	V797 E825 S826 L827 S832 Y833	V797-R829 HydrophobicContact CG1-CB 3.86Å; E825-R829 VanDerWaalsContact CB-NH1 3.33Å; E825-R829 WeakPolarHBondContact O-CG 3.38Å; E825-R829 PolarHBondContact O-N 3.11Å; E825-R829 VanDerWaalsContact O-N 3.13Å; E825-R829 IonicContact OE2-CZ 3.02Å; E825-R829 IonicContact OE2-NH1 3.93Å; E825-R829 PolarHBondContact OE2-NH1 3.1Å; E825-R829 VanDerWaalsContact OE2-NH1 3.13Å; E825-R829 IonicContact OE2-NH2 2.72Å; E825-R829 PolarHBondContact OE2-NH2 3.21Å; S826-R829 PolarHBondContact O-N 2.86Å; L827-R829 VanDerWaalsContact C-N 3.35Å; L827-R829 PolarHBondContact O-N 3.04Å; R829-S832 PolarHBondContact O-N 3.46Å; R829-Y833 PolarHBondContact O-N 3.43Å
830	L	97.9	Very high	96.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-64.7	-44.2	177.5	-177.4	61.6	0	0	0	111.6	L712 V797 F799 S826 L827 Y833 F834 L859 L862 I883 L887	L712-L830 HydrophobicContact CD1-CD1 4.05Å; L712-L830 HydrophobicContact CD2-CD1 3.78Å; V797-L830 HydrophobicContact CG1-CB 4.37Å; F799-L830 HydrophobicContact CE2-CD2 4.16Å; F799-L830 HydrophobicContact CZ-CD2 4.12Å; S826-L830 WeakPolarHBondContact O-CB 3.14Å; S826-L830 PolarHBondContact O-N 3.32Å; L827-L830 PolarHBondContact O-N 3.22Å; L830-Y833 PolarHBondContact O-N 3.49Å; L830-F834 PolarHBondContact O-N 3.34Å; L830-L859 HydrophobicContact CD2-CD2 4.01Å; L830-L859 HydrophobicContact CG-CD2 4.01Å; L830-L862 HydrophobicContact CD2-CD2 3.76Å; L830-I883 HydrophobicContact CD1-CG2 4.23Å; L830-I883 HydrophobicContact CD2-CG2 3.96Å; L830-I883 HydrophobicContact CG-CG2 4.36Å; L830-L887 HydrophobicContact CD1-CD1 4.22Å
831	N	97.5	Very high	96.1	Very high	55 Å²	55	50 Å²	50	29%	0.294	26%	0.256	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.2	-76	-31.6	0	0	0	111.1	L827 V828 Y833 F834 E835	L827-N831 WeakPolarHBondContact O-CB 3.37Å; L827-N831 PolarHBondContact O-N 3.39Å; L827-N831 PolarHBondContact O-ND2 3.41Å; V828-N831 PolarHBondContact O-N 3.06Å; N831-Y833 VanDerWaalsContact C-N 3.29Å; N831-Y833 PolarHBondContact O-N 3.39Å; N831-F834 PolarHBondContact O-N 2.84Å; N831-F834 VanDerWaalsContact O-N 3.14Å; N831-E835 WeakPolarHBondContact O-CG 3.42Å; N831-E835 PolarHBondContact O-N 2.85Å
832	S	96.9	Very high	95.6	Very high	57 Å²	57	49.9 Å²	49.9	40%	0.399	26%	0.257	S	S	.	.	H	α-helix	trans	-59.8	-38.8	176.6	-177.8	0	0	0	0	112.6	V828 R829 Q836	V828-S832 WeakPolarHBondContact O-CB 3.36Å; V828-S832 PolarHBondContact O-N 3.47Å; R829-S832 PolarHBondContact O-N 3.46Å; S832-Q836 VanDerWaalsContact O-CG 3.3Å; S832-Q836 WeakPolarHBondContact O-CG 3.38Å; S832-Q836 PolarHBondContact O-N 2.78Å; S832-Q836 VanDerWaalsContact O-N 3.15Å; S832-Q836 PolarHBondContact OG-NE2 3.46Å
833	Y	97.2	Very high	94.7	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-41.7	175.4	-175.7	-88.9	0	0	0	111.5	Q705 I709 G710 L712 Q795 R829 L830 N831 Q836 F837	Q705-Y833 PolarHBondContact NE2-OH 3.24Å; I709-Y833 HydrophobicContact CB-CE2 4.47Å; I709-Y833 HydrophobicContact CG2-CD2 3.89Å; I709-Y833 HydrophobicContact CG2-CE2 3.51Å; G710-Y833 PolarHBondContact O-OH 3.36Å; L712-Y833 HydrophobicContact CB-CD1 4.28Å; L712-Y833 HydrophobicContact CB-CE1 3.81Å; L712-Y833 HydrophobicContact CB-CE2 4.17Å; L712-Y833 HydrophobicContact CD1-CD1 4.36Å; L712-Y833 HydrophobicContact CD1-CG 4.31Å; L712-Y833 HydrophobicContact CD2-CD1 4.23Å; L712-Y833 HydrophobicContact CD2-CE1 4.25Å; L712-Y833 HydrophobicContact CG-CE1 4.48Å; Q795-Y833 HydrophobicContact CB-CD2 3.79Å; Q795-Y833 HydrophobicContact CB-CE2 4.18Å; Q795-Y833 HydrophobicContact CG-CD2 3.9Å; Q795-Y833 HydrophobicContact CG-CG 4.45Å; R829-Y833 PolarHBondContact O-N 3.43Å; L830-Y833 PolarHBondContact O-N 3.49Å; N831-Y833 VanDerWaalsContact C-N 3.29Å; N831-Y833 PolarHBondContact O-N 3.39Å; Y833-Q836 PolarHBondContact O-N 2.81Å; Y833-F837 PolarHBondContact O-N 2.88Å
834	F	96.4	Very high	93.9	Very high	15 Å²	15	64 Å²	64	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-65.6	-41.6	177.5	179.3	-111.2	0	0	0	112.9	L830 N831 F837 K838 L855 P856 L859 L887	L830-F834 PolarHBondContact O-N 3.34Å; N831-F834 PolarHBondContact O-N 2.84Å; N831-F834 VanDerWaalsContact O-N 3.14Å; F834-F837 WeakPolarHBondContact O-CB 3.23Å; F834-F837 PolarHBondContact O-N 3.33Å; F834-K838 PolarHBondContact O-N 3.46Å; F834-L855 HydrophobicContact CE2-CB 4.24Å; F834-L855 HydrophobicContact CE2-CD1 4.38Å; F834-L855 HydrophobicContact CZ-CB 4.42Å; F834-P856 HydrophobicContact CE1-CG 4.33Å; F834-P856 HydrophobicContact CZ-CG 4.04Å; F834-L859 HydrophobicContact CB-CD1 3.87Å; F834-L859 HydrophobicContact CD1-CD1 3.26Å; F834-L859 HydrophobicContact CD2-CD1 4.01Å; F834-L859 HydrophobicContact CE1-CD1 3.71Å; F834-L859 HydrophobicContact CE2-CD1 4.39Å; F834-L859 HydrophobicContact CG-CD1 3.41Å; F834-L859 VanDerWaalsContact CG-CD1 3.41Å; F834-L859 HydrophobicContact CZ-CD1 4.25Å; F834-L887 HydrophobicContact CB-CD1 4.45Å; F834-L887 HydrophobicContact CD2-CD1 4.27Å; F834-L887 HydrophobicContact CD2-CD2 3.7Å; F834-L887 HydrophobicContact CE2-CD2 4.16Å
835	E	95.4	Very high	93.2	Very high	91 Å²	91	61.9 Å²	61.9	43%	0.425	32%	0.315	S	S	.	.	H	α-helix	trans	-64.2	-43.6	176.3	-67.3	-56.2	145.6	0	0	111.2	N831 F837 K838 E839	N831-E835 WeakPolarHBondContact O-CG 3.42Å; N831-E835 PolarHBondContact O-N 2.85Å; E835-F837 VanDerWaalsContact C-N 3.25Å; E835-F837 PolarHBondContact O-N 2.73Å; E835-K838 PolarHBondContact O-N 2.97Å; E835-K838 VanDerWaalsContact O-N 3.16Å; E835-E839 WeakPolarHBondContact O-CG 3.32Å; E835-E839 PolarHBondContact O-N 3.49Å
836	Q	94.5	Very high	92.7	Very high	83 Å²	83	60.7 Å²	60.7	39%	0.388	31%	0.31	S	S	.	.	H	α-helix	trans	-59.1	-37.7	172.9	-72.8	172.4	27.5	0	0	112.2	I709 S832 Y833 V840	I709-Q836 HydrophobicContact CG2-CB 4.31Å; S832-Q836 VanDerWaalsContact O-CG 3.3Å; S832-Q836 WeakPolarHBondContact O-CG 3.38Å; S832-Q836 PolarHBondContact O-N 2.78Å; S832-Q836 VanDerWaalsContact O-N 3.15Å; S832-Q836 PolarHBondContact OG-NE2 3.46Å; Y833-Q836 PolarHBondContact O-N 2.81Å; Q836-V840 WeakPolarHBondContact O-CG2 3.42Å; Q836-V840 PolarHBondContact O-N 3.09Å
837	F	94.8	Very high	92	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-60.4	-51.2	173.9	179.9	-84.7	0	0	0	111.8	Q705 I709 Y833 F834 E835 E839 V840 L841 C845 L846	Q705-F837 HydrophobicContact CG-CD2 4.07Å; Q705-F837 HydrophobicContact CG-CE2 4.17Å; I709-F837 HydrophobicContact CD1-CB 3.91Å; I709-F837 HydrophobicContact CD1-CD2 4.02Å; I709-F837 HydrophobicContact CD1-CG 4.39Å; Y833-F837 PolarHBondContact O-N 2.88Å; F834-F837 WeakPolarHBondContact O-CB 3.23Å; F834-F837 PolarHBondContact O-N 3.33Å; E835-F837 VanDerWaalsContact C-N 3.25Å; E835-F837 PolarHBondContact O-N 2.73Å; F837-E839 VanDerWaalsContact C-N 3.29Å; F837-E839 PolarHBondContact O-N 3.32Å; F837-V840 PolarHBondContact O-N 3.18Å; F837-L841 HydrophobicContact CD2-CB 4.23Å; F837-L841 HydrophobicContact CD2-CD1 3.78Å; F837-L841 HydrophobicContact CE1-CB 4.49Å; F837-L841 HydrophobicContact CE2-CB 3.89Å; F837-L841 HydrophobicContact CE2-CD1 3.71Å; F837-L841 HydrophobicContact CE2-CG 4.45Å; F837-L841 HydrophobicContact CZ-CB 4Å; F837-L841 PolarHBondContact O-N 2.94Å; F837-C845 HydrophobicContact CE2-CB 4.28Å; F837-C845 HydrophobicContact CZ-CB 4.04Å; F837-L846 HydrophobicContact CD1-CD1 4.37Å; F837-L846 HydrophobicContact CD1-CD2 4.43Å; F837-L846 HydrophobicContact CD2-CD2 4.22Å; F837-L846 HydrophobicContact CE1-CD1 3.67Å; F837-L846 HydrophobicContact CE1-CD2 3.76Å; F837-L846 HydrophobicContact CE1-CG 3.62Å; F837-L846 HydrophobicContact CE2-CD2 3.5Å; F837-L846 VanDerWaalsContact CE2-CD2 3.5Å; F837-L846 HydrophobicContact CE2-CG 4.15Å; F837-L846 HydrophobicContact CZ-CD1 3.98Å; F837-L846 HydrophobicContact CZ-CD2 3.26Å; F837-L846 HydrophobicContact CZ-CG 3.37Å
838	K	93.6	Very high	91.1	Very high	136 Å²	136	74.7 Å²	74.7	59%	0.591	37%	0.369	S	S	*	.	H	α-helix	trans	-63.9	-33.2	-178.6	-172.9	-176.5	174.8	-170.3	0	113.1	F834 E835	F834-K838 PolarHBondContact O-N 3.46Å; E835-K838 PolarHBondContact O-N 2.97Å; E835-K838 VanDerWaalsContact O-N 3.16Å
839	E	92.4	Very high	90.3	Very high	156 Å²	156	72.1 Å²	72.1	73%	0.729	36%	0.355	S	S	*	.	H	α-helix	trans	-70.7	-37	178.7	-75.9	179.8	173.3	0	0	112.9	E835 F837	E835-E839 WeakPolarHBondContact O-CG 3.32Å; E835-E839 PolarHBondContact O-N 3.49Å; F837-E839 VanDerWaalsContact C-N 3.29Å; F837-E839 PolarHBondContact O-N 3.32Å
840	V	92.3	Very high	89.5	Confident	81 Å²	81	76 Å²	76	49%	0.491	37%	0.37	S	S	.	.	H	α-helix	trans	-110.6	-22.4	-166.3	-166	0	0	0	0	113.4	T708 Q836 F837	T708-V840 HydrophobicContact CG2-CB 4.23Å; T708-V840 HydrophobicContact CG2-CG1 3.36Å; Q836-V840 WeakPolarHBondContact O-CG2 3.42Å; Q836-V840 PolarHBondContact O-N 3.09Å; F837-V840 PolarHBondContact O-N 3.18Å
841	L	90.8	Very high	88.5	Confident	11 Å²	11	77.2 Å²	77.2	6%	0.058	38%	0.378	C	S	.	.	S	Bend	trans	-128.3	145.3	-172.5	-61	173	0	0	0	112.6	R704 Q705 I709 F837	R704-L841 HydrophobicContact CG-CD2 3.66Å; Q705-L841 VanDerWaalsContact CA-CD1 3.49Å; Q705-L841 HydrophobicContact CB-CD1 3.77Å; Q705-L841 HydrophobicContact CG-CD1 4.06Å; I709-L841 HydrophobicContact CD1-CD1 3.49Å; I709-L841 VanDerWaalsContact CD1-CD1 3.49Å; I709-L841 HydrophobicContact CD1-CG 4.17Å; I709-L841 HydrophobicContact CG1-CD1 4.17Å; F837-L841 HydrophobicContact CD2-CB 4.23Å; F837-L841 HydrophobicContact CD2-CD1 3.78Å; F837-L841 HydrophobicContact CE1-CB 4.49Å; F837-L841 HydrophobicContact CE2-CB 3.89Å; F837-L841 HydrophobicContact CE2-CD1 3.71Å; F837-L841 HydrophobicContact CE2-CG 4.45Å; F837-L841 HydrophobicContact CZ-CB 4Å; F837-L841 PolarHBondContact O-N 2.94Å
842	P	86.4	Confident	87.5	Confident	59 Å²	59	84.1 Å²	84.1	38%	0.383	41%	0.409	S	S	.	.			trans	-71.6	154.1	173.1	31.2	-33.9	0	0	0	111.2	D844 C845	P842-D844 PolarHBondContact O-N 3.3Å; P842-C845 WeakPolarHBondContact O-CB 3.35Å; P842-C845 PolarHBondContact O-N 3.22Å; P842-C845 VanDerWaalsContact O-N 3.12Å
843	E	77.1	Confident	87	Confident	150 Å²	150	83.4 Å²	83.4	70%	0.701	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-61.8	-24.6	178.3	-66.5	-170.7	166.8	0	0	113.1	C845 L846	E843-C845 PolarHBondContact O-N 2.96Å; E843-C845 VanDerWaalsContact O-N 3.09Å; E843-L846 WeakPolarHBondContact O-CB 3.02Å; E843-L846 PolarHBondContact O-N 3.26Å
844	D	81.3	Confident	86.6	Confident	157 Å²	157	85.9 Å²	85.9	84%	0.84	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-62.6	-14.5	176.1	-67.6	-29.3	0	0	0	113.8	P842 L846	P842-D844 PolarHBondContact O-N 3.3Å; D844-L846 PolarHBondContact O-N 3.37Å
845	C	83.6	Confident	86.3	Confident	10 Å²	10	86.2 Å²	86.2	7%	0.068	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-76.1	-9.4	173.7	-67.4	0	0	0	0	113.4	F837 P842 E843 N888	F837-C845 HydrophobicContact CE2-CB 4.28Å; F837-C845 HydrophobicContact CZ-CB 4.04Å; P842-C845 WeakPolarHBondContact O-CB 3.35Å; P842-C845 PolarHBondContact O-N 3.22Å; P842-C845 VanDerWaalsContact O-N 3.12Å; E843-C845 PolarHBondContact O-N 2.96Å; E843-C845 VanDerWaalsContact O-N 3.09Å; C845-N888 PolarHBondContact O-ND2 3.44Å; C845-N888 VanDerWaalsContact O-ND2 3.08Å
846	L	87	Confident	86.2	Confident	28 Å²	28	85.1 Å²	85.1	15%	0.147	42%	0.423	C	S	.	.	S	Bend	trans	-91.6	151.4	179.8	-60.9	-178.5	0	0	0	112.1	F837 E843 D844 R848 L855 L887	F837-L846 HydrophobicContact CD1-CD1 4.37Å; F837-L846 HydrophobicContact CD1-CD2 4.43Å; F837-L846 HydrophobicContact CD2-CD2 4.22Å; F837-L846 HydrophobicContact CE1-CD1 3.67Å; F837-L846 HydrophobicContact CE1-CD2 3.76Å; F837-L846 HydrophobicContact CE1-CG 3.62Å; F837-L846 HydrophobicContact CE2-CD2 3.5Å; F837-L846 VanDerWaalsContact CE2-CD2 3.5Å; F837-L846 HydrophobicContact CE2-CG 4.15Å; F837-L846 HydrophobicContact CZ-CD1 3.98Å; F837-L846 HydrophobicContact CZ-CD2 3.26Å; F837-L846 HydrophobicContact CZ-CG 3.37Å; E843-L846 WeakPolarHBondContact O-CB 3.02Å; E843-L846 PolarHBondContact O-N 3.26Å; D844-L846 PolarHBondContact O-N 3.37Å; L846-R848 PolarHBondContact O-N 2.89Å; L846-L855 HydrophobicContact CD1-CD1 3.42Å; L846-L855 VanDerWaalsContact CD1-CD1 3.42Å; L846-L887 HydrophobicContact CD1-CD2 4.2Å; L846-L887 HydrophobicContact CD2-CD2 4.12Å
847	P	84.2	Confident	86.2	Confident	55 Å²	55	85.3 Å²	85.3	36%	0.357	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-59	138.3	173.2	-23.1	35.5	0	0	0	111.3	S849 R886 N888	P847-S849 PolarHBondContact O-N 3.2Å; P847-R886 WeakPolarHBondContact CD-O 3.33Å; P847-N888 WeakPolarHBondContact CD-OD1 3.36Å; P847-N888 WeakPolarHBondContact CG-OD1 3.39Å
848	R	78.9	Confident	86.2	Confident	251 Å²	251	85.4 Å²	85.4	95%	0.947	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-66.4	128.4	171.5	-64.2	-177.9	-178.2	-179.3	0.2	109.2	L846	L846-R848 PolarHBondContact O-N 2.89Å
849	S	80.4	Confident	86.3	Confident	37 Å²	37	79.4 Å²	79.4	26%	0.259	40%	0.398	S	S	.	.			trans	-111.3	142.3	171.9	173.6	0	0	0	0	109.4	P847 S851 R886 E917	P847-S849 PolarHBondContact O-N 3.2Å; S849-S851 VanDerWaalsContact C-N 3.31Å; S849-S851 WeakPolarHBondContact OG-CB 3.48Å; S849-S851 PolarHBondContact OG-N 3.33Å; S849-S851 VanDerWaalsContact OG-N 3.16Å; S849-R886 VanDerWaalsContact OG-CZ 3.24Å; S849-R886 PolarHBondContact OG-NE 2.92Å; S849-E917 WeakPolarHBondContact CA-OE2 3.18Å; S849-E917 PolarHBondContact OG-OE1 2.85Å; S849-E917 PolarHBondContact OG-OE2 3.3Å
850	R	80.5	Confident	86.5	Confident	156 Å²	156	77.3 Å²	77.3	59%	0.589	38%	0.384	S	S	*	.			trans	-86	-6.5	172.3	-58.1	-165.2	-171.4	165.2	0.5	112.4	D347 E917	D347-R850 IonicContact OD2-CZ 3.14Å; D347-R850 IonicContact OD2-NH1 3.57Å; D347-R850 IonicContact OD2-NH2 2.7Å; D347-R850 PolarHBondContact OD2-NH2 3.23Å; R850-E917 WeakPolarHBondContact CD-O 3.29Å; R850-E917 PolarHBondContact N-OE2 3.36Å
851	S	77.5	Confident	86.7	Confident	26 Å²	26	76.8 Å²	76.8	18%	0.182	38%	0.375	C	S	.	.			trans	-74.6	140.9	-179.5	170.7	0	0	0	0	111.8	S849 T853 R886	S849-S851 VanDerWaalsContact C-N 3.31Å; S849-S851 WeakPolarHBondContact OG-CB 3.48Å; S849-S851 PolarHBondContact OG-N 3.33Å; S849-S851 VanDerWaalsContact OG-N 3.16Å; S851-T853 VanDerWaalsContact C-N 3.34Å; S851-T853 PolarHBondContact O-N 3.42Å; S851-R886 PolarHBondContact OG-NH2 2.8Å
852	Q	75.9	Confident	87.1	Confident	199 Å²	199	76.2 Å²	76.2	93%	0.93	37%	0.372	S	S	*	.	S	Bend	trans	-71.1	-27.4	-174.1	-65.6	-179.8	-3	0	0	113.3
853	T	86.2	Confident	87.6	Confident	43 Å²	43	74.1 Å²	74.1	26%	0.264	36%	0.361	S	S	.	.	S	Bend	trans	-78	130	-177.9	-45.3	0	0	0	0	110.1	S851 E857 L858 F861 R886	S851-T853 VanDerWaalsContact C-N 3.34Å; S851-T853 PolarHBondContact O-N 3.42Å; T853-E857 HydrophobicContact CG2-CB 3.83Å; T853-L858 HydrophobicContact CG2-CD2 3.76Å; T853-L858 HydrophobicContact CG2-CG 3.83Å; T853-F861 HydrophobicContact CG2-CD2 4.26Å; T853-F861 HydrophobicContact CG2-CE2 3.9Å; T853-R886 VanDerWaalsContact O-CZ 3.26Å; T853-R886 PolarHBondContact O-NH1 2.93Å; T853-R886 PolarHBondContact O-NH2 2.86Å
854	C	89.3	Confident	88.5	Confident	56 Å²	56	72.1 Å²	72.1	38%	0.378	35%	0.352	S	S	.	.			trans	-82.9	162.4	177.2	71.6	0	0	0	0	112.3	E857 L858	C854-E857 PolarHBondContact O-N 3.4Å; C854-E857 VanDerWaalsContact SG-CG 3.5Å; C854-L858 PolarHBondContact O-N 3.41Å
855	L	91.3	Very high	89.2	Confident	21 Å²	21	65.9 Å²	65.9	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-45.8	-177.9	-93	170.1	0	0	0	114.6	F834 L846 E857 L858 L859 I883 R886 L887	F834-L855 HydrophobicContact CE2-CB 4.24Å; F834-L855 HydrophobicContact CE2-CD1 4.38Å; F834-L855 HydrophobicContact CZ-CB 4.42Å; L846-L855 HydrophobicContact CD1-CD1 3.42Å; L846-L855 VanDerWaalsContact CD1-CD1 3.42Å; L855-E857 VanDerWaalsContact C-N 3.28Å; L855-E857 PolarHBondContact O-N 3.37Å; L855-L858 WeakPolarHBondContact O-CB 3.39Å; L855-L858 PolarHBondContact O-N 2.99Å; L855-L859 PolarHBondContact O-N 2.85Å; L855-I883 HydrophobicContact CD2-CG1 4.47Å; L855-I883 HydrophobicContact CD2-CG2 4.2Å; L855-R886 HydrophobicContact CD1-CB 4.08Å; L855-R886 HydrophobicContact CD2-CB 3.66Å; L855-R886 HydrophobicContact CG-CB 4.01Å; L855-L887 HydrophobicContact CD1-CD2 3.79Å; L855-L887 HydrophobicContact CD1-CG 4.43Å; L855-L887 HydrophobicContact CD2-CD2 4.38Å; L855-L887 HydrophobicContact CD2-CG 4.22Å
856	P	92.9	Very high	89.8	Confident	69 Å²	69	66.2 Å²	66.2	45%	0.448	32%	0.32	S	S	.	.	H	α-helix	trans	-58.4	-38.3	175.6	-26.7	34.8	0	0	0	113.4	F834 L859 R860	F834-P856 HydrophobicContact CE1-CG 4.33Å; F834-P856 HydrophobicContact CZ-CG 4.04Å; P856-L859 PolarHBondContact O-N 3Å; P856-R860 PolarHBondContact O-N 2.98Å
857	E	94.8	Very high	90.2	Very high	86 Å²	86	71 Å²	71	40%	0.402	34%	0.342	S	S	.	.	H	α-helix	trans	-67.7	-42.6	175.9	-75.7	176.8	177.9	0	0	111.7	T853 C854 L855 L859 R860 F861	T853-E857 HydrophobicContact CG2-CB 3.83Å; C854-E857 PolarHBondContact O-N 3.4Å; C854-E857 VanDerWaalsContact SG-CG 3.5Å; L855-E857 VanDerWaalsContact C-N 3.28Å; L855-E857 PolarHBondContact O-N 3.37Å; E857-L859 VanDerWaalsContact C-N 3.34Å; E857-L859 PolarHBondContact O-N 2.78Å; E857-R860 WeakPolarHBondContact O-CB 3.46Å; E857-R860 PolarHBondContact O-N 3.15Å; E857-F861 HydrophobicContact CB-CD2 4.39Å; E857-F861 HydrophobicContact CB-CE2 4.06Å; E857-F861 WeakPolarHBondContact O-CD2 3.25Å; E857-F861 WeakPolarHBondContact O-CG 3.43Å; E857-F861 PolarHBondContact O-N 2.63Å
858	L	94.6	Very high	90.6	Very high	6 Å²	6	70.5 Å²	70.5	3%	0.031	34%	0.342	C	S	.	.	H	α-helix	trans	-58.4	-44.7	174.4	-71.2	173.9	0	0	0	111.7	T853 C854 L855 R860 F861 L862 E882 I883	T853-L858 HydrophobicContact CG2-CD2 3.76Å; T853-L858 HydrophobicContact CG2-CG 3.83Å; C854-L858 PolarHBondContact O-N 3.41Å; L855-L858 WeakPolarHBondContact O-CB 3.39Å; L855-L858 PolarHBondContact O-N 2.99Å; L858-R860 VanDerWaalsContact C-N 3.34Å; L858-R860 PolarHBondContact O-N 2.85Å; L858-F861 PolarHBondContact O-N 3.39Å; L858-L862 WeakPolarHBondContact O-CB 3.37Å; L858-L862 PolarHBondContact O-N 2.74Å; L858-E882 HydrophobicContact CD1-CG 4.03Å; L858-I883 HydrophobicContact CB-CD1 4.01Å; L858-I883 HydrophobicContact CB-CG1 3.67Å; L858-I883 HydrophobicContact CD1-CG1 4.34Å
859	L	96.1	Very high	90.8	Very high	10 Å²	10	70.6 Å²	70.6	5%	0.052	34%	0.343	C	S	.	.	H	α-helix	trans	-62.5	-40.8	175.9	-75.7	164.8	0	0	0	111.9	L830 F834 L855 P856 E857 L862 G863 I883	L830-L859 HydrophobicContact CD2-CD2 4.01Å; L830-L859 HydrophobicContact CG-CD2 4.01Å; F834-L859 HydrophobicContact CB-CD1 3.87Å; F834-L859 HydrophobicContact CD1-CD1 3.26Å; F834-L859 HydrophobicContact CD2-CD1 4.01Å; F834-L859 HydrophobicContact CE1-CD1 3.71Å; F834-L859 HydrophobicContact CE2-CD1 4.39Å; F834-L859 HydrophobicContact CG-CD1 3.41Å; F834-L859 VanDerWaalsContact CG-CD1 3.41Å; F834-L859 HydrophobicContact CZ-CD1 4.25Å; L855-L859 PolarHBondContact O-N 2.85Å; P856-L859 PolarHBondContact O-N 3Å; E857-L859 VanDerWaalsContact C-N 3.34Å; E857-L859 PolarHBondContact O-N 2.78Å; L859-L862 PolarHBondContact O-N 2.78Å; L859-G863 PolarHBondContact O-N 3.18Å; L859-I883 HydrophobicContact CD2-CD1 4.01Å; L859-I883 HydrophobicContact CD2-CG2 3.94Å; L859-I883 HydrophobicContact CG-CD1 4.25Å; L859-I883 HydrophobicContact CG-CG2 4.38Å
860	R	96.6	Very high	91.1	Very high	113 Å²	113	73.9 Å²	73.9	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-45.1	174.1	-172	-173.6	58.9	64.7	3.2	111.4	P856 E857 L858 G863 Q864	P856-R860 PolarHBondContact O-N 2.98Å; E857-R860 WeakPolarHBondContact O-CB 3.46Å; E857-R860 PolarHBondContact O-N 3.15Å; L858-R860 VanDerWaalsContact C-N 3.34Å; L858-R860 PolarHBondContact O-N 2.85Å; R860-G863 PolarHBondContact O-N 2.85Å; R860-Q864 WeakPolarHBondContact O-CG 3.26Å; R860-Q864 PolarHBondContact O-N 3.26Å
861	F	96.3	Very high	91.4	Very high	69 Å²	69	72.4 Å²	72.4	30%	0.303	36%	0.356	S	S	.	.	H	α-helix	trans	-65.2	-40.4	177.8	-67.5	-54.1	0	0	0	112.1	T853 E857 L858 G863 Q864 N865 Q879	T853-F861 HydrophobicContact CG2-CD2 4.26Å; T853-F861 HydrophobicContact CG2-CE2 3.9Å; E857-F861 HydrophobicContact CB-CD2 4.39Å; E857-F861 HydrophobicContact CB-CE2 4.06Å; E857-F861 WeakPolarHBondContact O-CD2 3.25Å; E857-F861 WeakPolarHBondContact O-CG 3.43Å; E857-F861 PolarHBondContact O-N 2.63Å; L858-F861 PolarHBondContact O-N 3.39Å; F861-G863 VanDerWaalsContact C-N 3.33Å; F861-G863 PolarHBondContact O-N 2.9Å; F861-Q864 PolarHBondContact O-N 3.42Å; F861-N865 WeakPolarHBondContact O-CB 3.23Å; F861-N865 PolarHBondContact O-N 2.68Å; F861-N865 PolarHBondContact O-ND2 3.19Å; F861-Q879 PolarHBondContact O-OE1 3.18Å
862	L	97.6	Very high	92	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-45.9	172.8	178.7	63.4	0	0	0	110.5	F799 L827 L830 L858 L859 Q864 N865 V866 I876 Q879 A880 I883	F799-L862 HydrophobicContact CE1-CD1 4.31Å; F799-L862 HydrophobicContact CE1-CD2 4.14Å; F799-L862 HydrophobicContact CZ-CD2 3.89Å; L827-L862 HydrophobicContact CD1-CD2 3.98Å; L827-L862 HydrophobicContact CD1-CG 4.03Å; L830-L862 HydrophobicContact CD2-CD2 3.76Å; L858-L862 WeakPolarHBondContact O-CB 3.37Å; L858-L862 PolarHBondContact O-N 2.74Å; L859-L862 PolarHBondContact O-N 2.78Å; L862-Q864 VanDerWaalsContact C-N 3.33Å; L862-Q864 PolarHBondContact O-N 3.18Å; L862-N865 PolarHBondContact O-N 3.14Å; L862-N865 VanDerWaalsContact O-N 3.17Å; L862-V866 HydrophobicContact CD1-CG2 4.11Å; L862-V866 HydrophobicContact CG-CG2 4.35Å; L862-V866 VanDerWaalsContact O-CG2 3.29Å; L862-V866 WeakPolarHBondContact O-CG2 3.47Å; L862-V866 PolarHBondContact O-N 3.49Å; L862-I876 HydrophobicContact CD1-CB 4.37Å; L862-I876 HydrophobicContact CD1-CG2 3.9Å; L862-I876 WeakPolarHBondContact CD1-O 3.48Å; L862-Q879 VanDerWaalsContact CA-OE1 3.25Å; L862-Q879 HydrophobicContact CB-CB 4.27Å; L862-Q879 HydrophobicContact CD1-CB 4.16Å; L862-A880 HydrophobicContact CD1-CB 4.29Å; L862-A880 HydrophobicContact CD2-CB 4.27Å; L862-I883 HydrophobicContact CB-CD1 3.96Å; L862-I883 HydrophobicContact CD2-CD1 3.71Å; L862-I883 HydrophobicContact CG-CD1 4.45Å
863	G	97.1	Very high	92.8	Very high	15 Å²	15	63.1 Å²	63.1	16%	0.155	31%	0.31	C	S	.	.	H	α-helix	trans	-58.2	-43.1	175.6	0	0	0	0	0	112.8	L859 R860 F861 H867	L859-G863 PolarHBondContact O-N 3.18Å; R860-G863 PolarHBondContact O-N 2.85Å; F861-G863 VanDerWaalsContact C-N 3.33Å; F861-G863 PolarHBondContact O-N 2.9Å; G863-H867 PolarHBondContact O-N 3.44Å; G863-H867 PolarHBondContact O-ND1 3.08Å
864	Q	96.6	Very high	93.3	Very high	107 Å²	107	61.6 Å²	61.6	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-44.2	174.6	-72.2	175.7	-21.4	0	0	111.9	R860 F861 L862 H867 A868	R860-Q864 WeakPolarHBondContact O-CG 3.26Å; R860-Q864 PolarHBondContact O-N 3.26Å; F861-Q864 PolarHBondContact O-N 3.42Å; L862-Q864 VanDerWaalsContact C-N 3.33Å; L862-Q864 PolarHBondContact O-N 3.18Å; Q864-H867 PolarHBondContact O-N 2.93Å; Q864-A868 VanDerWaalsContact O-CB 3.25Å; Q864-A868 WeakPolarHBondContact O-CB 3.3Å; Q864-A868 PolarHBondContact O-N 2.95Å
865	N	96.5	Very high	93.6	Very high	27 Å²	27	60.7 Å²	60.7	14%	0.144	29%	0.291	C	S	.	.	H	α-helix	trans	-68.8	-34.9	-179.1	-86.2	-43	0	0	0	113.6	F861 L862 H867 A868 N873 I876 Q879	F861-N865 WeakPolarHBondContact O-CB 3.23Å; F861-N865 PolarHBondContact O-N 2.68Å; F861-N865 PolarHBondContact O-ND2 3.19Å; L862-N865 PolarHBondContact O-N 3.14Å; L862-N865 VanDerWaalsContact O-N 3.17Å; N865-H867 VanDerWaalsContact C-N 3.34Å; N865-A868 PolarHBondContact O-N 3.24Å; N865-N873 WeakPolarHBondContact CB-ND2 3.47Å; N865-N873 PolarHBondContact O-ND2 3.21Å; N865-N873 PolarHBondContact OD1-ND2 3.04Å; N865-I876 HydrophobicContact CB-CG1 3.86Å; N865-Q879 VanDerWaalsContact ND2-CD 3.32Å; N865-Q879 PolarHBondContact ND2-NE2 3.47Å; N865-Q879 VanDerWaalsContact ND2-NE2 3.19Å; N865-Q879 PolarHBondContact ND2-OE1 3.4Å
866	V	95.9	Very high	93.9	Very high	17 Å²	17	60.1 Å²	60.1	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-37.1	175.9	168.6	0	0	0	0	111.4	F799 N823 V824 L827 L862 I876	F799-V866 HydrophobicContact CE1-CG2 4.3Å; N823-V866 HydrophobicContact CB-CG1 4.09Å; N823-V866 HydrophobicContact CB-CG2 4.45Å; V824-V866 HydrophobicContact CG2-CG1 3.76Å; L827-V866 HydrophobicContact CD2-CB 4.19Å; L827-V866 HydrophobicContact CD2-CG1 4.21Å; L827-V866 HydrophobicContact CD2-CG2 4.43Å; L862-V866 HydrophobicContact CD1-CG2 4.11Å; L862-V866 HydrophobicContact CG-CG2 4.35Å; L862-V866 VanDerWaalsContact O-CG2 3.29Å; L862-V866 WeakPolarHBondContact O-CG2 3.47Å; L862-V866 PolarHBondContact O-N 3.49Å; V866-I876 HydrophobicContact CG2-CD1 4.33Å; V866-I876 HydrophobicContact CG2-CG1 4.32Å; V866-I876 HydrophobicContact CG2-CG2 4.08Å
867	H	94.5	Very high	94.1	Very high	128 Å²	128	56.8 Å²	56.8	59%	0.593	27%	0.267	S	S	*	.	H	α-helix	trans	-89.2	-8.1	177.9	-62.6	90.8	0	0	0	113.3	G863 Q864 N865	G863-H867 PolarHBondContact O-N 3.44Å; G863-H867 PolarHBondContact O-ND1 3.08Å; Q864-H867 PolarHBondContact O-N 2.93Å; N865-H867 VanDerWaalsContact C-N 3.34Å
868	A	92.9	Very high	94.1	Very high	45 Å²	45	55.9 Å²	55.9	37%	0.372	26%	0.26	S	S	.	.	S	Bend	trans	-76.6	131.9	179.4	0	0	0	0	0	111.2	Q864 N865 K870	Q864-A868 VanDerWaalsContact O-CB 3.25Å; Q864-A868 WeakPolarHBondContact O-CB 3.3Å; Q864-A868 PolarHBondContact O-N 2.95Å; N865-A868 PolarHBondContact O-N 3.24Å; A868-K870 PolarHBondContact O-N 3.34Å
869	R	82.5	Confident	94.2	Very high	253 Å²	253	57 Å²	57	96%	0.955	27%	0.265	S	S	*	.			trans	-80.5	70	172.1	-65	-173.6	178.9	-172.8	-0.7	110.9
870	K	88.3	Confident	94.3	Very high	106 Å²	106	56.5 Å²	56.5	46%	0.461	26%	0.262	S	S	.	.			trans	-113.9	127.8	177.5	175.2	173.7	167	-169.2	0	110.1	A868 K872 N873 D875	A868-K870 PolarHBondContact O-N 3.34Å; K870-K872 PolarHBondContact O-N 3.33Å; K870-N873 HydrophobicContact CB-CB 3.98Å; K870-N873 HydrophobicContact CD-CB 4.23Å; K870-N873 WeakPolarHBondContact CD-OD1 3.11Å; K870-N873 HydrophobicContact CG-CB 4.03Å; K870-N873 PolarHBondContact NZ-OD1 3.1Å; K870-D875 IonicContact NZ-OD2 2.98Å; K870-D875 PolarHBondContact NZ-OD2 2.7Å
871	N	85.8	Confident	94.3	Very high	124 Å²	124	51.3 Å²	51.3	66%	0.663	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	130.8	177.1	-64.4	-23.3	0	0	0	110.4	N873	N871-N873 VanDerWaalsContact C-N 3.3Å; N871-N873 PolarHBondContact O-N 3.21Å
872	K	90.3	Very high	94.2	Very high	24 Å²	24	49.3 Å²	49.3	10%	0.104	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.4	55.5	-178.9	-52.6	-174.4	-171.6	-173.6	0	112	N804 Q807 T808 E811 K870 V874 A960	N804-K872 PolarHBondContact O-NZ 3.31Å; Q807-K872 HydrophobicContact CG-CG 4.2Å; T808-K872 WeakPolarHBondContact OG1-CE 3.41Å; T808-K872 PolarHBondContact OG1-NZ 2.98Å; E811-K872 VanDerWaalsContact OE1-CG 3.31Å; E811-K872 WeakPolarHBondContact OE1-CG 3.46Å; E811-K872 PolarHBondContact OE1-N 3.05Å; K870-K872 PolarHBondContact O-N 3.33Å; K872-V874 PolarHBondContact O-N 3.49Å; K872-A960 PolarHBondContact NZ-O 3.11Å
873	N	93.8	Very high	94.2	Very high	7 Å²	7	49.3 Å²	49.3	4%	0.037	24%	0.235	C	C	.	.			trans	-69.5	78	-176.6	-164.8	8.6	0	0	0	112.4	N865 K870 N871 D875 I876	N865-N873 WeakPolarHBondContact CB-ND2 3.47Å; N865-N873 PolarHBondContact O-ND2 3.21Å; N865-N873 PolarHBondContact OD1-ND2 3.04Å; K870-N873 HydrophobicContact CB-CB 3.98Å; K870-N873 HydrophobicContact CD-CB 4.23Å; K870-N873 WeakPolarHBondContact CD-OD1 3.11Å; K870-N873 HydrophobicContact CG-CB 4.03Å; K870-N873 PolarHBondContact NZ-OD1 3.1Å; N871-N873 VanDerWaalsContact C-N 3.3Å; N871-N873 PolarHBondContact O-N 3.21Å; N873-D875 PolarHBondContact O-N 3.06Å; N873-D875 WeakPolarHBondContact OD1-CB 3.34Å; N873-D875 PolarHBondContact OD1-OD2 3.37Å; N873-I876 HydrophobicContact CB-CD1 4.11Å; N873-I876 HydrophobicContact CB-CG1 4.36Å; N873-I876 WeakPolarHBondContact O-CB 3.47Å; N873-I876 WeakPolarHBondContact O-CG1 3.49Å; N873-I876 PolarHBondContact O-N 3.33Å
874	V	95.5	Very high	94.2	Very high	10 Å²	10	48.6 Å²	48.6	6%	0.061	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.6	-178.7	-67.3	0	0	0	0	113.5	V801 I803 K872 I876 L877 W878 P962 Y965	V801-V874 HydrophobicContact CG1-CG1 4.29Å; I803-V874 HydrophobicContact CG2-CG1 3.89Å; K872-V874 PolarHBondContact O-N 3.49Å; V874-I876 PolarHBondContact O-N 2.98Å; V874-L877 WeakPolarHBondContact O-CB 3.39Å; V874-L877 PolarHBondContact O-N 3.42Å; V874-W878 HydrophobicContact CB-CZ2 4.13Å; V874-W878 HydrophobicContact CG2-CH2 3.66Å; V874-W878 HydrophobicContact CG2-CZ2 3.45Å; V874-W878 VanDerWaalsContact CG2-CZ2 3.45Å; V874-W878 HydrophobicContact CG2-CZ3 4.29Å; V874-W878 PolarHBondContact O-N 3.3Å; V874-P962 HydrophobicContact CG1-CG 3.98Å; V874-Y965 HydrophobicContact CB-CE2 4.01Å; V874-Y965 HydrophobicContact CG1-CD2 4.43Å; V874-Y965 HydrophobicContact CG1-CE2 3.84Å; V874-Y965 HydrophobicContact CG2-CE2 4.28Å
875	D	95.6	Very high	94.1	Very high	37 Å²	37	46.2 Å²	46.2	20%	0.198	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-30.4	175.6	-56.4	-25.9	0	0	0	111.3	K870 N873 L877 W878 Q879	K870-D875 IonicContact NZ-OD2 2.98Å; K870-D875 PolarHBondContact NZ-OD2 2.7Å; N873-D875 PolarHBondContact O-N 3.06Å; N873-D875 WeakPolarHBondContact OD1-CB 3.34Å; N873-D875 PolarHBondContact OD1-OD2 3.37Å; D875-L877 VanDerWaalsContact C-N 3.27Å; D875-L877 PolarHBondContact O-N 3.1Å; D875-W878 PolarHBondContact O-N 2.98Å; D875-W878 WeakPolarHBondContact OD1-CZ3 3.48Å; D875-Q879 VanDerWaalsContact O-CB 3.32Å; D875-Q879 WeakPolarHBondContact O-CB 3.34Å; D875-Q879 VanDerWaalsContact O-CG 3.27Å; D875-Q879 WeakPolarHBondContact O-CG 3.5Å; D875-Q879 PolarHBondContact O-N 3.21Å
876	I	97.4	Very high	94	Very high	9 Å²	9	46 Å²	46	5%	0.046	21%	0.211	C	C	.	.	H	α-helix	trans	-55.6	-45.3	173	-62.7	173.1	0	0	0	110.3	F799 V801 L862 N865 V866 N873 V874 A880	F799-I876 HydrophobicContact CB-CG2 4.33Å; F799-I876 HydrophobicContact CD1-CG2 3.69Å; F799-I876 HydrophobicContact CE1-CG2 4.48Å; F799-I876 HydrophobicContact CG-CG2 4.36Å; V801-I876 HydrophobicContact CG2-CB 4.18Å; V801-I876 HydrophobicContact CG2-CD1 4.3Å; L862-I876 HydrophobicContact CD1-CB 4.37Å; L862-I876 HydrophobicContact CD1-CG2 3.9Å; L862-I876 WeakPolarHBondContact CD1-O 3.48Å; N865-I876 HydrophobicContact CB-CG1 3.86Å; V866-I876 HydrophobicContact CG2-CD1 4.33Å; V866-I876 HydrophobicContact CG2-CG1 4.32Å; V866-I876 HydrophobicContact CG2-CG2 4.08Å; N873-I876 HydrophobicContact CB-CD1 4.11Å; N873-I876 HydrophobicContact CB-CG1 4.36Å; N873-I876 WeakPolarHBondContact O-CB 3.47Å; N873-I876 WeakPolarHBondContact O-CG1 3.49Å; N873-I876 PolarHBondContact O-N 3.33Å; V874-I876 PolarHBondContact O-N 2.98Å; I876-A880 WeakPolarHBondContact O-CB 3.33Å; I876-A880 PolarHBondContact O-N 2.87Å
877	L	97.4	Very high	93.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-69.7	-45.5	-177.5	-56.4	-173	0	0	0	110.9	E716 L718 F799 V801 V874 D875 Q879 A880 A881	E716-L877 HydrophobicContact CG-CB 4.34Å; E716-L877 HydrophobicContact CG-CD1 3.94Å; E716-L877 HydrophobicContact CG-CD2 4Å; E716-L877 HydrophobicContact CG-CG 4.3Å; L718-L877 HydrophobicContact CD2-CD1 3.44Å; L718-L877 VanDerWaalsContact CD2-CD1 3.44Å; F799-L877 HydrophobicContact CB-CD2 4.09Å; V801-L877 HydrophobicContact CB-CD1 3.95Å; V801-L877 HydrophobicContact CB-CD2 4.13Å; V801-L877 HydrophobicContact CB-CG 3.98Å; V801-L877 HydrophobicContact CG2-CD1 4.38Å; V801-L877 HydrophobicContact CG2-CD2 3.77Å; V801-L877 HydrophobicContact CG2-CG 3.85Å; V874-L877 WeakPolarHBondContact O-CB 3.39Å; V874-L877 PolarHBondContact O-N 3.42Å; D875-L877 VanDerWaalsContact C-N 3.27Å; D875-L877 PolarHBondContact O-N 3.1Å; L877-Q879 PolarHBondContact O-N 3Å; L877-A880 PolarHBondContact O-N 2.75Å; L877-A881 WeakPolarHBondContact O-CB 3.45Å; L877-A881 PolarHBondContact O-N 3.09Å
878	W	95.3	Very high	93.9	Very high	66 Å²	66	39.2 Å²	39.2	25%	0.25	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-44.7	-179	-56.1	-19	0	0	0	111.8	V874 D875 A881 E882 L908 L912 Y965	V874-W878 HydrophobicContact CB-CZ2 4.13Å; V874-W878 HydrophobicContact CG2-CH2 3.66Å; V874-W878 HydrophobicContact CG2-CZ2 3.45Å; V874-W878 VanDerWaalsContact CG2-CZ2 3.45Å; V874-W878 HydrophobicContact CG2-CZ3 4.29Å; V874-W878 PolarHBondContact O-N 3.3Å; D875-W878 PolarHBondContact O-N 2.98Å; D875-W878 WeakPolarHBondContact OD1-CZ3 3.48Å; W878-A881 WeakPolarHBondContact O-CB 3.47Å; W878-A881 PolarHBondContact O-N 3.28Å; W878-E882 PolarHBondContact O-N 2.91Å; W878-L908 HydrophobicContact CZ2-CD2 3.78Å; W878-L912 HydrophobicContact CD2-CD1 4.43Å; W878-L912 HydrophobicContact CG-CD1 4.21Å; W878-Y965 AromaticContact CZ2-CE2 3.88Å; W878-Y965 HydrophobicContact CZ2-CE2 3.88Å; W878-Y965 AromaticContact NE1-CE2 3.77Å; W878-Y965 AromaticContact NE1-CZ 3.78Å; W878-Y965 PolarHBondContact NE1-OH 2.97Å
879	Q	96.2	Very high	94.1	Very high	30 Å²	30	37.5 Å²	37.5	14%	0.14	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-45.5	178.6	-70.8	172.9	-21.9	0	0	111.7	F861 L862 N865 D875 L877 A881 E882 I883	F861-Q879 PolarHBondContact O-OE1 3.18Å; L862-Q879 VanDerWaalsContact CA-OE1 3.25Å; L862-Q879 HydrophobicContact CB-CB 4.27Å; L862-Q879 HydrophobicContact CD1-CB 4.16Å; N865-Q879 VanDerWaalsContact ND2-CD 3.32Å; N865-Q879 PolarHBondContact ND2-NE2 3.47Å; N865-Q879 VanDerWaalsContact ND2-NE2 3.19Å; N865-Q879 PolarHBondContact ND2-OE1 3.4Å; D875-Q879 VanDerWaalsContact O-CB 3.32Å; D875-Q879 WeakPolarHBondContact O-CB 3.34Å; D875-Q879 VanDerWaalsContact O-CG 3.27Å; D875-Q879 WeakPolarHBondContact O-CG 3.5Å; D875-Q879 PolarHBondContact O-N 3.21Å; L877-Q879 PolarHBondContact O-N 3Å; Q879-A881 PolarHBondContact O-N 3.12Å; Q879-E882 PolarHBondContact O-N 3.22Å; Q879-I883 WeakPolarHBondContact O-CB 3.33Å; Q879-I883 WeakPolarHBondContact O-CD1 3.46Å; Q879-I883 VanDerWaalsContact O-CG1 3.23Å; Q879-I883 WeakPolarHBondContact O-CG1 3.33Å; Q879-I883 PolarHBondContact O-N 3.11Å
880	A	97.8	Very high	94.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-36.2	176.8	0	0	0	0	0	111.9	F799 L862 I876 L877 C884	F799-A880 HydrophobicContact CB-CB 4.44Å; F799-A880 HydrophobicContact CD1-CB 4.43Å; F799-A880 HydrophobicContact CD2-CB 3.61Å; F799-A880 HydrophobicContact CE2-CB 3.86Å; F799-A880 HydrophobicContact CG-CB 3.9Å; F799-A880 HydrophobicContact CZ-CB 4.38Å; L862-A880 HydrophobicContact CD1-CB 4.29Å; L862-A880 HydrophobicContact CD2-CB 4.27Å; I876-A880 WeakPolarHBondContact O-CB 3.33Å; I876-A880 PolarHBondContact O-N 2.87Å; L877-A880 PolarHBondContact O-N 2.75Å; A880-C884 VanDerWaalsContact O-CB 3.25Å; A880-C884 WeakPolarHBondContact O-CB 3.37Å; A880-C884 PolarHBondContact O-N 3.37Å
881	A	96.8	Very high	95.3	Very high	3 Å²	3	21 Å²	21	3%	0.025	10%	0.101	C	C	.	.	H	α-helix	trans	-64	-48	174.6	0	0	0	0	0	112	L877 W878 Q879 C884 R885 R891	L877-A881 WeakPolarHBondContact O-CB 3.45Å; L877-A881 PolarHBondContact O-N 3.09Å; W878-A881 WeakPolarHBondContact O-CB 3.47Å; W878-A881 PolarHBondContact O-N 3.28Å; Q879-A881 PolarHBondContact O-N 3.12Å; A881-C884 PolarHBondContact O-N 3.48Å; A881-R885 WeakPolarHBondContact O-CG 3.42Å; A881-R885 PolarHBondContact O-N 2.94Å; A881-R885 PolarHBondContact O-NH1 3.23Å; A881-R891 VanDerWaalsContact CB-NH2 3.3Å
882	E	95.6	Very high	95.9	Very high	27 Å²	27	15.1 Å²	15.1	13%	0.126	7%	0.069	C	C	.	.	H	α-helix	trans	-63.2	-46.6	178.4	-172.4	175.4	174.2	0	0	112.3	L858 W878 Q879 C884 R885 R886	L858-E882 HydrophobicContact CD1-CG 4.03Å; W878-E882 PolarHBondContact O-N 2.91Å; Q879-E882 PolarHBondContact O-N 3.22Å; E882-C884 VanDerWaalsContact C-N 3.32Å; E882-C884 PolarHBondContact O-N 2.83Å; E882-R885 VanDerWaalsContact CA-NH2 3.34Å; E882-R885 PolarHBondContact O-N 3.09Å; E882-R886 WeakPolarHBondContact O-CB 3.14Å; E882-R886 WeakPolarHBondContact O-CG 3.43Å; E882-R886 PolarHBondContact O-N 3.37Å; E882-R886 IonicContact OE1-CZ 3.12Å; E882-R886 IonicContact OE1-NE 2.99Å; E882-R886 PolarHBondContact OE1-NE 3.06Å; E882-R886 IonicContact OE1-NH2 3.16Å; E882-R886 PolarHBondContact OE1-NH2 2.96Å
883	I	96.5	Very high	96.3	Very high	0 Å²	0	14 Å²	14	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-45.9	176	-67	158.9	0	0	0	110.3	L830 L855 L858 L859 L862 Q879 R885 R886 L887	L830-I883 HydrophobicContact CD1-CG2 4.23Å; L830-I883 HydrophobicContact CD2-CG2 3.96Å; L830-I883 HydrophobicContact CG-CG2 4.36Å; L855-I883 HydrophobicContact CD2-CG1 4.47Å; L855-I883 HydrophobicContact CD2-CG2 4.2Å; L858-I883 HydrophobicContact CB-CD1 4.01Å; L858-I883 HydrophobicContact CB-CG1 3.67Å; L858-I883 HydrophobicContact CD1-CG1 4.34Å; L859-I883 HydrophobicContact CD2-CD1 4.01Å; L859-I883 HydrophobicContact CD2-CG2 3.94Å; L859-I883 HydrophobicContact CG-CD1 4.25Å; L859-I883 HydrophobicContact CG-CG2 4.38Å; L862-I883 HydrophobicContact CB-CD1 3.96Å; L862-I883 HydrophobicContact CD2-CD1 3.71Å; L862-I883 HydrophobicContact CG-CD1 4.45Å; Q879-I883 WeakPolarHBondContact O-CB 3.33Å; Q879-I883 WeakPolarHBondContact O-CD1 3.46Å; Q879-I883 VanDerWaalsContact O-CG1 3.23Å; Q879-I883 WeakPolarHBondContact O-CG1 3.33Å; Q879-I883 PolarHBondContact O-N 3.11Å; I883-R885 PolarHBondContact O-N 2.94Å; I883-R886 PolarHBondContact O-N 3.3Å; I883-L887 HydrophobicContact CG2-CD1 3.68Å; I883-L887 HydrophobicContact CG2-CG 4.27Å; I883-L887 WeakPolarHBondContact O-CB 3.19Å; I883-L887 WeakPolarHBondContact O-CG 3.43Å; I883-L887 PolarHBondContact O-N 2.88Å
884	C	96.9	Very high	96.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.3	-47.5	177.8	177.9	0	0	0	0	111.9	Q714 A880 A881 E882 R886 L887 N888 G889 V890	Q714-C884 HydrophobicContact CB-CB 3.66Å; Q714-C884 WeakPolarHBondContact CB-SG 3.32Å; Q714-C884 HydrophobicContact CG-CB 3.97Å; A880-C884 VanDerWaalsContact O-CB 3.25Å; A880-C884 WeakPolarHBondContact O-CB 3.37Å; A880-C884 PolarHBondContact O-N 3.37Å; A881-C884 PolarHBondContact O-N 3.48Å; E882-C884 VanDerWaalsContact C-N 3.32Å; E882-C884 PolarHBondContact O-N 2.83Å; C884-R886 PolarHBondContact O-N 3.37Å; C884-L887 CarbonylContact O-C 3.49Å; C884-L887 PolarHBondContact O-N 2.99Å; C884-N888 PolarHBondContact O-N 2.91Å; C884-G889 WeakPolarHBondContact O-CA 3.44Å; C884-G889 PolarHBondContact O-N 3.12Å; C884-G889 VanDerWaalsContact SG-C 3.55Å; C884-G889 VanDerWaalsContact SG-CA 3.55Å; C884-V890 PolarHBondContact SG-O 2.73Å
885	R	94.9	Very high	96.5	Very high	57 Å²	57	13.2 Å²	13.2	22%	0.215	6%	0.06	C	C	.	.	H	α-helix	trans	-60.9	-44.3	178.1	-71	-172.7	-57.6	-85.6	-0.7	111.8	A881 E882 I883 L887 N888 R891 E909	A881-R885 WeakPolarHBondContact O-CG 3.42Å; A881-R885 PolarHBondContact O-N 2.94Å; A881-R885 PolarHBondContact O-NH1 3.23Å; E882-R885 VanDerWaalsContact CA-NH2 3.34Å; E882-R885 PolarHBondContact O-N 3.09Å; I883-R885 PolarHBondContact O-N 2.94Å; R885-L887 VanDerWaalsContact C-N 3.25Å; R885-L887 PolarHBondContact O-N 3.3Å; R885-N888 PolarHBondContact O-N 3.02Å; R885-R891 HydrophobicContact CG-CG 4.02Å; R885-E909 IonicContact CZ-OE1 3.71Å; R885-E909 IonicContact NH1-OE1 2.79Å; R885-E909 PolarHBondContact NH1-OE1 3.28Å
886	R	93.4	Very high	96.4	Very high	23 Å²	23	14 Å²	14	9%	0.087	6%	0.062	C	C	.	.	H	α-helix	trans	-69.8	-18.8	178.2	-71.1	-169.5	-171.6	-154.4	24.5	114	P847 S849 S851 T853 L855 E882 I883 C884	P847-R886 WeakPolarHBondContact CD-O 3.33Å; S849-R886 VanDerWaalsContact OG-CZ 3.24Å; S849-R886 PolarHBondContact OG-NE 2.92Å; S851-R886 PolarHBondContact OG-NH2 2.8Å; T853-R886 VanDerWaalsContact O-CZ 3.26Å; T853-R886 PolarHBondContact O-NH1 2.93Å; T853-R886 PolarHBondContact O-NH2 2.86Å; L855-R886 HydrophobicContact CD1-CB 4.08Å; L855-R886 HydrophobicContact CD2-CB 3.66Å; L855-R886 HydrophobicContact CG-CB 4.01Å; E882-R886 WeakPolarHBondContact O-CB 3.14Å; E882-R886 WeakPolarHBondContact O-CG 3.43Å; E882-R886 PolarHBondContact O-N 3.37Å; E882-R886 IonicContact OE1-CZ 3.12Å; E882-R886 IonicContact OE1-NE 2.99Å; E882-R886 PolarHBondContact OE1-NE 3.06Å; E882-R886 IonicContact OE1-NH2 3.16Å; E882-R886 PolarHBondContact OE1-NH2 2.96Å; I883-R886 PolarHBondContact O-N 3.3Å; C884-R886 PolarHBondContact O-N 3.37Å
887	L	95	Very high	96.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	23	173.7	-67	178.6	0	0	0	113	Q705 L712 L830 F834 L846 L855 I883 C884 R885 G889	Q705-L887 PolarHBondContact NE2-O 3.34Å; L712-L887 HydrophobicContact CD2-CB 3.97Å; L712-L887 HydrophobicContact CD2-CD1 4.2Å; L830-L887 HydrophobicContact CD1-CD1 4.22Å; F834-L887 HydrophobicContact CB-CD1 4.45Å; F834-L887 HydrophobicContact CD2-CD1 4.27Å; F834-L887 HydrophobicContact CD2-CD2 3.7Å; F834-L887 HydrophobicContact CE2-CD2 4.16Å; L846-L887 HydrophobicContact CD1-CD2 4.2Å; L846-L887 HydrophobicContact CD2-CD2 4.12Å; L855-L887 HydrophobicContact CD1-CD2 3.79Å; L855-L887 HydrophobicContact CD1-CG 4.43Å; L855-L887 HydrophobicContact CD2-CD2 4.38Å; L855-L887 HydrophobicContact CD2-CG 4.22Å; I883-L887 HydrophobicContact CG2-CD1 3.68Å; I883-L887 HydrophobicContact CG2-CG 4.27Å; I883-L887 WeakPolarHBondContact O-CB 3.19Å; I883-L887 WeakPolarHBondContact O-CG 3.43Å; I883-L887 PolarHBondContact O-N 2.88Å; C884-L887 CarbonylContact O-C 3.49Å; C884-L887 PolarHBondContact O-N 2.99Å; R885-L887 VanDerWaalsContact C-N 3.25Å; R885-L887 PolarHBondContact O-N 3.3Å; L887-G889 PolarHBondContact O-N 2.91Å
888	N	94.4	Very high	96	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.016	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	22.1	-177.4	-74.3	-47.1	0	0	0	115	K692 F702 Q705 C845 P847 C884 R885	K692-N888 WeakPolarHBondContact CE-O 3.5Å; K692-N888 PolarHBondContact NZ-O 3.27Å; F702-N888 HydrophobicContact CD2-CB 3.8Å; F702-N888 HydrophobicContact CE2-CB 4.45Å; Q705-N888 PolarHBondContact OE1-ND2 3.2Å; C845-N888 PolarHBondContact O-ND2 3.44Å; C845-N888 VanDerWaalsContact O-ND2 3.08Å; P847-N888 WeakPolarHBondContact CD-OD1 3.36Å; P847-N888 WeakPolarHBondContact CG-OD1 3.39Å; C884-N888 PolarHBondContact O-N 2.91Å; R885-N888 PolarHBondContact O-N 3.02Å
889	G	96.6	Very high	95.9	Very high	8 Å²	8	11.3 Å²	11.3	8%	0.082	5%	0.054	C	C	.	.	P	Polyproline II helix	trans	-76.4	169.2	-179.4	0	0	0	0	0	113.4	L712 C884 L887	L712-G889 CarbonylContact O-C 3.51Å; L712-G889 WeakPolarHBondContact O-CA 3.5Å; C884-G889 WeakPolarHBondContact O-CA 3.44Å; C884-G889 PolarHBondContact O-N 3.12Å; C884-G889 VanDerWaalsContact SG-C 3.55Å; C884-G889 VanDerWaalsContact SG-CA 3.55Å; L887-G889 PolarHBondContact O-N 2.91Å
890	V	98.1	Very high	95.8	Very high	8 Å²	8	10.6 Å²	10.6	5%	0.048	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	133.1	173.3	-174.3	0	0	0	0	109.4	V358 K692 L711 L712 Q714 C884 F892	V358-V890 HydrophobicContact CG2-CG1 4.45Å; K692-V890 HydrophobicContact CB-CG2 3.81Å; K692-V890 HydrophobicContact CG-CG2 3.9Å; L711-V890 HydrophobicContact CD1-CG2 3.83Å; L711-V890 HydrophobicContact CD2-CG2 4.02Å; L711-V890 HydrophobicContact CG-CG2 4.13Å; L712-V890 PolarHBondContact O-N 3.22Å; Q714-V890 PolarHBondContact N-O 3.17Å; C884-V890 PolarHBondContact SG-O 2.73Å; V890-F892 HydrophobicContact CB-CE2 3.78Å; V890-F892 HydrophobicContact CB-CZ 4.24Å; V890-F892 HydrophobicContact CG1-CD2 4.23Å; V890-F892 HydrophobicContact CG1-CE1 4.37Å; V890-F892 HydrophobicContact CG1-CE2 3.42Å; V890-F892 VanDerWaalsContact CG1-CE2 3.42Å; V890-F892 HydrophobicContact CG1-CZ 3.48Å; V890-F892 VanDerWaalsContact CG1-CZ 3.48Å
891	R	97.9	Very high	95.7	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.015	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.5	-178.5	-75.8	-73.1	-61.1	149.3	1.5	111.6	I357 V358 E716 A881 R885 E909	I357-R891 HydrophobicContact CG1-CB 4.32Å; V358-R891 PolarHBondContact N-O 2.92Å; E716-R891 IonicContact OE2-CZ 3.72Å; E716-R891 IonicContact OE2-NH1 2.71Å; E716-R891 IonicContact OE2-NH2 3.84Å; E716-R891 PolarHBondContact OE2-NH2 3.16Å; A881-R891 VanDerWaalsContact CB-NH2 3.3Å; R885-R891 HydrophobicContact CG-CG 4.02Å; R891-E909 IonicContact CZ-OE1 3.12Å; R891-E909 IonicContact CZ-OE2 3.33Å; R891-E909 IonicContact NE-OE1 3.29Å; R891-E909 PolarHBondContact NE-OE1 3Å; R891-E909 IonicContact NE-OE2 3.67Å; R891-E909 IonicContact NH2-OE1 3.31Å; R891-E909 PolarHBondContact NH2-OE1 2.89Å; R891-E909 IonicContact NH2-OE2 2.92Å; R891-E909 PolarHBondContact NH2-OE2 3.19Å
892	F	98.6	Very high	95.7	Very high	1 Å²	1	11.2 Å²	11.2	0%	0.004	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.7	171.9	-57.4	-95.2	0	0	0	110.2	V358 A684 L685 A713 Q714 F715 E716 V890	V358-F892 HydrophobicContact CB-CD1 3.43Å; V358-F892 VanDerWaalsContact CB-CD1 3.43Å; V358-F892 HydrophobicContact CB-CE1 3.65Å; V358-F892 HydrophobicContact CB-CG 4.28Å; V358-F892 HydrophobicContact CG1-CD1 3.74Å; V358-F892 HydrophobicContact CG1-CE1 3.84Å; V358-F892 HydrophobicContact CG2-CD1 3.94Å; V358-F892 HydrophobicContact CG2-CE1 3.65Å; V358-F892 HydrophobicContact CG2-CZ 4.32Å; V358-F892 CarbonylContact O-C 3.58Å; V358-F892 VanDerWaalsContact O-CA 3.25Å; V358-F892 WeakPolarHBondContact O-CA 3.41Å; A684-F892 HydrophobicContact CB-CD1 4.17Å; A684-F892 HydrophobicContact CB-CE1 4.07Å; A684-F892 VanDerWaalsContact O-CE1 3.31Å; A684-F892 WeakPolarHBondContact O-CE1 3.25Å; L685-F892 HydrophobicContact CD1-CZ 4.26Å; A713-F892 HydrophobicContact CB-CE2 3.95Å; Q714-F892 WeakPolarHBondContact O-CD2 3.35Å; Q714-F892 PolarHBondContact O-N 3.47Å; F715-F892 HydrophobicContact CB-CB 4.4Å; F715-F892 HydrophobicContact CD1-CB 3.44Å; F715-F892 VanDerWaalsContact CD1-CB 3.44Å; F715-F892 HydrophobicContact CD1-CD1 4.29Å; F715-F892 HydrophobicContact CD1-CD2 4.17Å; F715-F892 AromaticContact CD1-CG 3.72Å; F715-F892 HydrophobicContact CD1-CG 3.72Å; F715-F892 HydrophobicContact CD2-CD2 4.03Å; F715-F892 HydrophobicContact CD2-CG 4.42Å; F715-F892 HydrophobicContact CE1-CB 3.75Å; F715-F892 AromaticContact CE1-CD1 3.69Å; F715-F892 HydrophobicContact CE1-CD1 3.69Å; F715-F892 AromaticContact CE1-CD2 3.95Å; F715-F892 HydrophobicContact CE1-CD2 3.95Å; F715-F892 HydrophobicContact CE1-CE1 4.33Å; F715-F892 AromaticContact CE1-CG 3.51Å; F715-F892 HydrophobicContact CE1-CG 3.51Å; F715-F892 AromaticContact CE2-CD2 3.8Å; F715-F892 HydrophobicContact CE2-CD2 3.8Å; F715-F892 HydrophobicContact CE2-CE2 4.04Å; F715-F892 HydrophobicContact CE2-CG 4.24Å; F715-F892 HydrophobicContact CG-CB 3.9Å; F715-F892 HydrophobicContact CG-CD2 4.2Å; F715-F892 HydrophobicContact CG-CG 4.17Å; F715-F892 HydrophobicContact CZ-CB 4.43Å; F715-F892 AromaticContact CZ-CD1 3.98Å; F715-F892 HydrophobicContact CZ-CD1 3.98Å; F715-F892 AromaticContact CZ-CD2 3.76Å; F715-F892 HydrophobicContact CZ-CD2 3.76Å; F715-F892 HydrophobicContact CZ-CE1 4.21Å; F715-F892 AromaticContact CZ-CE2 3.97Å; F715-F892 HydrophobicContact CZ-CE2 3.97Å; F715-F892 AromaticContact CZ-CG 3.79Å; F715-F892 HydrophobicContact CZ-CG 3.79Å; F715-F892 HydrophobicContact CZ-CZ 4.21Å; E716-F892 WeakPolarHBondContact CB-O 3.28Å; E716-F892 PolarHBondContact N-O 3.31Å; V890-F892 HydrophobicContact CB-CE2 3.78Å; V890-F892 HydrophobicContact CB-CZ 4.24Å; V890-F892 HydrophobicContact CG1-CD2 4.23Å; V890-F892 HydrophobicContact CG1-CE1 4.37Å; V890-F892 HydrophobicContact CG1-CE2 3.42Å; V890-F892 VanDerWaalsContact CG1-CE2 3.42Å; V890-F892 HydrophobicContact CG1-CZ 3.48Å; V890-F892 VanDerWaalsContact CG1-CZ 3.48Å
893	T	98.5	Very high	95.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.7	175.3	-53.8	0	0	0	0	110.8	I357 V358 T359 I360 T902 V906	I357-T893 VanDerWaalsContact CG2-OG1 3.3Å; I357-T893 WeakPolarHBondContact CG2-OG1 3.36Å; V358-T893 PolarHBondContact O-N 3.07Å; T359-T893 WeakPolarHBondContact CA-O 3.24Å; I360-T893 PolarHBondContact N-O 3.15Å; I360-T893 VanDerWaalsContact N-O 3.16Å; T893-T902 HydrophobicContact CG2-CG2 3.89Å; T893-V906 HydrophobicContact CG2-CG2 4.23Å
894	S	97.8	Very high	95.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	149.7	-175.5	-165.7	0	0	0	0	113.9	I360 A362 E716 L718	I360-S894 WeakPolarHBondContact O-CA 3.41Å; I360-S894 WeakPolarHBondContact O-CB 3.18Å; I360-S894 PolarHBondContact O-OG 3.11Å; A362-S894 PolarHBondContact N-OG 2.97Å; E716-S894 WeakPolarHBondContact O-CB 3.48Å; E716-S894 PolarHBondContact O-N 3.46Å; L718-S894 PolarHBondContact N-O 2.78Å
895	C	95.6	Very high	95.8	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	-174.6	164.7	74.8	0	0	0	0	108	G361 A362 L718 S897 A898 R901 T902	G361-C895 CarbonylContact C-O 3.59Å; G361-C895 WeakPolarHBondContact CA-O 3.16Å; A362-C895 PolarHBondContact N-O 3.4Å; L718-C895 HydrophobicContact CB-CB 3.98Å; L718-C895 HydrophobicContact CD1-CB 4.37Å; C895-S897 PolarHBondContact O-N 2.97Å; C895-A898 PolarHBondContact O-N 3.34Å; C895-A898 VanDerWaalsContact SG-CA 3.59Å; C895-A898 PolarHBondContact SG-N 2.93Å; C895-R901 HydrophobicContact CB-CB 3.92Å; C895-T902 PolarHBondContact SG-OG1 2.96Å
896	K	94.4	Very high	95.9	Very high	54 Å²	54	7.3 Å²	7.3	24%	0.235	4%	0.037	C	C	.	.	S	Bend	trans	-44.4	-42.3	-177	-178.3	173.6	-170.3	169.3	0	114.7	L719 E724 E725 M728 R901	L719-K896 HydrophobicContact CD2-CB 4.25Å; E724-K896 IonicContact OE2-NZ 3.59Å; E725-K896 HydrophobicContact CG-CD 4.35Å; M728-K896 HydrophobicContact CE-CG 4.38Å; M728-K896 HydrophobicContact SD-CG 3.97Å; K896-R901 VanDerWaalsContact CB-NH2 3.35Å
897	S	92	Very high	96.1	Very high	17 Å²	17	6.2 Å²	6.2	12%	0.119	3%	0.033	C	C	.	.	S	Bend	trans	-133	4.1	-175.2	60	0	0	0	0	114.6	N337 C895 K899	N337-S897 VanDerWaalsContact CB-O 3.23Å; N337-S897 WeakPolarHBondContact CB-O 3.22Å; N337-S897 PolarHBondContact ND2-O 3.11Å; C895-S897 PolarHBondContact O-N 2.97Å; S897-K899 PolarHBondContact O-N 3.11Å
898	A	93.9	Very high	96.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	S	Bend	trans	45.5	33.3	-170.7	0	0	0	0	0	116.3	N337 I360 C895 T902 R938	N337-A898 HydrophobicContact CB-CB 4.32Å; N337-A898 VanDerWaalsContact ND2-C 3.28Å; N337-A898 PolarHBondContact ND2-O 3.36Å; I360-A898 WeakPolarHBondContact O-CB 3.33Å; C895-A898 PolarHBondContact O-N 3.34Å; C895-A898 VanDerWaalsContact SG-CA 3.59Å; C895-A898 PolarHBondContact SG-N 2.93Å; A898-T902 WeakPolarHBondContact CA-OG1 3.35Å; A898-T902 HydrophobicContact CB-CG2 4.29Å; A898-R938 PolarHBondContact O-NH2 3.01Å
899	K	93.3	Very high	96.4	Very high	1 Å²	1	6.6 Å²	6.6	0%	0.004	4%	0.035	C	C	.	.	S	Bend	trans	-101.2	-80	176	-170.2	-177.4	71.3	173.3	0	110.5	S897 A903 R938 T942 N945 T977	S897-K899 PolarHBondContact O-N 3.11Å; K899-A903 WeakPolarHBondContact O-CB 3.44Å; K899-A903 PolarHBondContact O-N 3.18Å; K899-R938 PolarHBondContact O-NH2 2.86Å; K899-T942 HydrophobicContact CD-CG2 4.28Å; K899-T942 HydrophobicContact CG-CG2 3.99Å; K899-N945 HydrophobicContact CD-CB 3.79Å; K899-T977 VanDerWaalsContact NZ-CG2 3.27Å
900	D	93.7	Very high	96.4	Very high	15 Å²	15	6.3 Å²	6.3	8%	0.08	3%	0.031	C	C	.	.	H	α-helix	trans	-81.2	-60.8	-166	-43.9	-82.4	0	0	0	113.5	T902 A903 M904 Y951 A952 F953	D900-T902 VanDerWaalsContact C-N 3.28Å; D900-T902 PolarHBondContact O-N 3.14Å; D900-A903 WeakPolarHBondContact O-CB 3.5Å; D900-A903 PolarHBondContact O-N 2.8Å; D900-A903 VanDerWaalsContact O-N 3.08Å; D900-M904 PolarHBondContact O-N 2.86Å; D900-Y951 HydrophobicContact CB-CD1 4.29Å; D900-Y951 VanDerWaalsContact OD1-CA 3.22Å; D900-Y951 WeakPolarHBondContact OD1-CA 3.49Å; D900-A952 PolarHBondContact OD1-N 2.75Å; D900-F953 HydrophobicContact CB-CD2 4.38Å; D900-F953 HydrophobicContact CB-CE1 3.89Å; D900-F953 HydrophobicContact CB-CE2 3.56Å; D900-F953 HydrophobicContact CB-CZ 3.28Å
901	R	95.8	Very high	96.4	Very high	16 Å²	16	6 Å²	6	6%	0.06	3%	0.029	C	C	.	.	H	α-helix	trans	-61.1	-38.9	-179.5	-70.3	-174.4	-70.9	-178.2	-5.8	111.9	L718 E725 I803 N804 C895 K896 A903 M904 S905 F953 F961	L718-R901 HydrophobicContact CD1-CB 3.93Å; L718-R901 WeakPolarHBondContact CD1-O 3.48Å; L718-R901 PolarHBondContact O-NH1 2.83Å; E725-R901 IonicContact OE1-CZ 3.77Å; E725-R901 IonicContact OE1-NH1 2.85Å; E725-R901 IonicContact OE1-NH2 3.53Å; E725-R901 PolarHBondContact OE1-NH2 3.02Å; E725-R901 IonicContact OE2-CZ 2.66Å; E725-R901 VanDerWaalsContact OE2-CZ 3.29Å; E725-R901 IonicContact OE2-NH1 3.75Å; E725-R901 PolarHBondContact OE2-NH1 3.37Å; E725-R901 IonicContact OE2-NH2 3.53Å; E725-R901 PolarHBondContact OE2-NH2 3.1Å; I803-R901 HydrophobicContact CD1-CB 4.19Å; I803-R901 HydrophobicContact CD1-CG 4.13Å; I803-R901 HydrophobicContact CG1-CG 4.41Å; N804-R901 PolarHBondContact ND2-NH1 3.13Å; C895-R901 HydrophobicContact CB-CB 3.92Å; K896-R901 VanDerWaalsContact CB-NH2 3.35Å; R901-A903 VanDerWaalsContact C-N 3.34Å; R901-A903 PolarHBondContact O-N 3.17Å; R901-M904 WeakPolarHBondContact O-CB 3.29Å; R901-M904 PolarHBondContact O-N 3.16Å; R901-M904 VanDerWaalsContact O-N 3.14Å; R901-S905 PolarHBondContact O-N 3.23Å; R901-F953 HydrophobicContact CG-CE1 4.07Å; R901-F953 HydrophobicContact CG-CZ 4.05Å; R901-F961 HydrophobicContact CG-CE1 4.02Å; R901-F961 HydrophobicContact CG-CZ 4.13Å
902	T	96.9	Very high	96.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-62.8	-39.4	174.9	-62.7	0	0	0	0	112.1	T359 T893 C895 A898 D900 M904 S905 V906	T359-T902 HydrophobicContact CG2-CG2 3.72Å; T893-T902 HydrophobicContact CG2-CG2 3.89Å; C895-T902 PolarHBondContact SG-OG1 2.96Å; A898-T902 WeakPolarHBondContact CA-OG1 3.35Å; A898-T902 HydrophobicContact CB-CG2 4.29Å; D900-T902 VanDerWaalsContact C-N 3.28Å; D900-T902 PolarHBondContact O-N 3.14Å; T902-M904 VanDerWaalsContact C-N 3.26Å; T902-M904 PolarHBondContact O-N 3.28Å; T902-S905 PolarHBondContact O-N 2.56Å; T902-V906 HydrophobicContact CG2-CG2 4.01Å; T902-V906 WeakPolarHBondContact O-CB 3.13Å; T902-V906 VanDerWaalsContact O-CG2 3.24Å; T902-V906 WeakPolarHBondContact O-CG2 3.3Å; T902-V906 PolarHBondContact O-N 3.2Å
903	A	96.5	Very high	96.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-60.9	-38.5	173.8	0	0	0	0	0	111.7	K899 D900 R901 T907 R938 Y951	K899-A903 WeakPolarHBondContact O-CB 3.44Å; K899-A903 PolarHBondContact O-N 3.18Å; D900-A903 WeakPolarHBondContact O-CB 3.5Å; D900-A903 PolarHBondContact O-N 2.8Å; D900-A903 VanDerWaalsContact O-N 3.08Å; R901-A903 VanDerWaalsContact C-N 3.34Å; R901-A903 PolarHBondContact O-N 3.17Å; A903-T907 WeakPolarHBondContact O-CB 3.19Å; A903-T907 WeakPolarHBondContact O-CG2 3.35Å; A903-T907 PolarHBondContact O-N 2.74Å; A903-T907 VanDerWaalsContact O-N 3.15Å; A903-T907 PolarHBondContact O-OG1 3.26Å; A903-R938 HydrophobicContact CB-CB 3.66Å; A903-R938 HydrophobicContact CB-CG 4.06Å; A903-Y951 HydrophobicContact CB-CE1 3.73Å
904	M	96.9	Very high	95.9	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.2	-43.9	177.2	-56.6	-59.7	100.8	0	0	111.5	D900 R901 T902 T907 L908 R933 Y951 F953 Y965 P967	D900-M904 PolarHBondContact O-N 2.86Å; R901-M904 WeakPolarHBondContact O-CB 3.29Å; R901-M904 PolarHBondContact O-N 3.16Å; R901-M904 VanDerWaalsContact O-N 3.14Å; T902-M904 VanDerWaalsContact C-N 3.26Å; T902-M904 PolarHBondContact O-N 3.28Å; M904-T907 PolarHBondContact O-OG1 2.63Å; M904-L908 VanDerWaalsContact O-CB 3.29Å; M904-L908 WeakPolarHBondContact O-CB 3.29Å; M904-L908 PolarHBondContact O-N 2.86Å; M904-R933 HydrophobicContact CE-CG 3.99Å; M904-R933 PolarHBondContact O-NH2 2.9Å; M904-Y951 HydrophobicContact CE-CD1 4.3Å; M904-Y951 HydrophobicContact CE-CD2 4.12Å; M904-Y951 HydrophobicContact CE-CE1 3.93Å; M904-Y951 HydrophobicContact CE-CE2 3.71Å; M904-Y951 HydrophobicContact CE-CG 4.4Å; M904-F953 HydrophobicContact CG-CE2 4.37Å; M904-Y965 HydrophobicContact CB-CD1 3.97Å; M904-Y965 VanDerWaalsContact CG-O 3.27Å; M904-Y965 WeakPolarHBondContact CG-O 3.29Å; M904-P967 HydrophobicContact CE-CB 4.1Å; M904-P967 HydrophobicContact SD-CB 3.78Å; M904-P967 HydrophobicContact SD-CG 4.38Å
905	S	97.6	Very high	95.6	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.014	5%	0.047	C	C	.	.	H	α-helix	trans	-70.6	-46.1	-179.7	-145.7	0	0	0	0	112.9	E716 R901 T902 T907 L908 E909 Y965	E716-S905 WeakPolarHBondContact OE1-CB 3.46Å; E716-S905 PolarHBondContact OE1-OG 3.41Å; R901-S905 PolarHBondContact O-N 3.23Å; T902-S905 PolarHBondContact O-N 2.56Å; S905-T907 PolarHBondContact O-N 2.84Å; S905-L908 WeakPolarHBondContact O-CB 3.41Å; S905-L908 PolarHBondContact O-N 3.49Å; S905-E909 WeakPolarHBondContact O-CB 3.24Å; S905-E909 PolarHBondContact O-N 3.08Å; S905-Y965 WeakPolarHBondContact OG-CE1 3.45Å; S905-Y965 PolarHBondContact OG-OH 3.32Å
906	V	97.7	Very high	95.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-59.9	-48.3	-179.2	167.3	0	0	0	0	111.7	Q341 I357 T359 T893 T902 L908 E909 Q910	Q341-V906 HydrophobicContact CB-CG1 4.27Å; Q341-V906 HydrophobicContact CG-CG1 3.64Å; I357-V906 HydrophobicContact CD1-CG1 4.35Å; I357-V906 HydrophobicContact CG2-CG2 4.24Å; T359-V906 HydrophobicContact CG2-CG2 3.75Å; T893-V906 HydrophobicContact CG2-CG2 4.23Å; T902-V906 HydrophobicContact CG2-CG2 4.01Å; T902-V906 WeakPolarHBondContact O-CB 3.13Å; T902-V906 VanDerWaalsContact O-CG2 3.24Å; T902-V906 WeakPolarHBondContact O-CG2 3.3Å; T902-V906 PolarHBondContact O-N 3.2Å; V906-L908 VanDerWaalsContact C-N 3.28Å; V906-L908 PolarHBondContact O-N 3.37Å; V906-E909 PolarHBondContact O-N 2.97Å; V906-Q910 WeakPolarHBondContact O-CB 3.46Å; V906-Q910 VanDerWaalsContact O-CG 3.31Å; V906-Q910 WeakPolarHBondContact O-CG 3.38Å; V906-Q910 PolarHBondContact O-N 3.02Å
907	T	97.4	Very high	95.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.8	-33.3	178.8	50.8	0	0	0	0	112.2	A903 M904 S905 C911 L929 M932 R933	A903-T907 WeakPolarHBondContact O-CB 3.19Å; A903-T907 WeakPolarHBondContact O-CG2 3.35Å; A903-T907 PolarHBondContact O-N 2.74Å; A903-T907 VanDerWaalsContact O-N 3.15Å; A903-T907 PolarHBondContact O-OG1 3.26Å; M904-T907 PolarHBondContact O-OG1 2.63Å; S905-T907 PolarHBondContact O-N 2.84Å; T907-C911 PolarHBondContact O-N 3.32Å; T907-C911 PolarHBondContact O-SG 2.9Å; T907-L929 WeakPolarHBondContact O-CD1 3.19Å; T907-M932 HydrophobicContact CG2-CB 4.08Å; T907-R933 HydrophobicContact CG2-CG 4.08Å; T907-R933 WeakPolarHBondContact OG1-CG 3.34Å; T907-R933 PolarHBondContact OG1-NE 3.38Å
908	L	97.6	Very high	95.1	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.056	C	C	.	.	H	α-helix	trans	-68.4	-46.5	175	-179.1	60.5	0	0	0	111.4	W878 M904 S905 V906 Q910 C911 L912 F925 L929 H964 Y965	W878-L908 HydrophobicContact CZ2-CD2 3.78Å; M904-L908 VanDerWaalsContact O-CB 3.29Å; M904-L908 WeakPolarHBondContact O-CB 3.29Å; M904-L908 PolarHBondContact O-N 2.86Å; S905-L908 WeakPolarHBondContact O-CB 3.41Å; S905-L908 PolarHBondContact O-N 3.49Å; V906-L908 VanDerWaalsContact C-N 3.28Å; V906-L908 PolarHBondContact O-N 3.37Å; L908-Q910 VanDerWaalsContact C-N 3.32Å; L908-Q910 PolarHBondContact O-N 3.12Å; L908-C911 PolarHBondContact O-N 2.75Å; L908-L912 HydrophobicContact CD1-CD1 4.43Å; L908-L912 HydrophobicContact CD1-CG 4.41Å; L908-L912 HydrophobicContact CG-CD1 4.11Å; L908-L912 VanDerWaalsContact O-CG 3.3Å; L908-L912 WeakPolarHBondContact O-CG 3.35Å; L908-L912 PolarHBondContact O-N 2.73Å; L908-F925 HydrophobicContact CD1-CE1 4.15Å; L908-F925 HydrophobicContact CD1-CZ 3.8Å; L908-L929 HydrophobicContact CB-CD1 4.29Å; L908-L929 HydrophobicContact CD1-CD1 4.46Å; L908-L929 HydrophobicContact CD1-CD2 4Å; L908-H964 HydrophobicContact CD1-CB 3.98Å; L908-H964 HydrophobicContact CD2-CB 3.89Å; L908-Y965 HydrophobicContact CD2-CD2 3.99Å; L908-Y965 HydrophobicContact CD2-CE1 4.43Å; L908-Y965 HydrophobicContact CD2-CE2 3.53Å
909	E	97.4	Very high	94.9	Very high	9 Å²	9	13.2 Å²	13.2	4%	0.042	7%	0.07	C	C	.	.	H	α-helix	trans	-59	-44	176	-178.2	174	175.2	0	0	111.4	I357 R885 R891 S905 V906 L912 I913	I357-E909 HydrophobicContact CD1-CB 4.36Å; I357-E909 HydrophobicContact CD1-CG 4.08Å; R885-E909 IonicContact CZ-OE1 3.71Å; R885-E909 IonicContact NH1-OE1 2.79Å; R885-E909 PolarHBondContact NH1-OE1 3.28Å; R891-E909 IonicContact CZ-OE1 3.12Å; R891-E909 IonicContact CZ-OE2 3.33Å; R891-E909 IonicContact NE-OE1 3.29Å; R891-E909 PolarHBondContact NE-OE1 3Å; R891-E909 IonicContact NE-OE2 3.67Å; R891-E909 IonicContact NH2-OE1 3.31Å; R891-E909 PolarHBondContact NH2-OE1 2.89Å; R891-E909 IonicContact NH2-OE2 2.92Å; R891-E909 PolarHBondContact NH2-OE2 3.19Å; S905-E909 WeakPolarHBondContact O-CB 3.24Å; S905-E909 PolarHBondContact O-N 3.08Å; V906-E909 PolarHBondContact O-N 2.97Å; E909-L912 PolarHBondContact O-N 3.27Å; E909-I913 HydrophobicContact CG-CD1 4.09Å; E909-I913 VanDerWaalsContact O-CG1 3.28Å; E909-I913 WeakPolarHBondContact O-CG1 3.35Å; E909-I913 PolarHBondContact O-N 3.29Å
910	Q	97.3	Very high	94.9	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.009	7%	0.07	C	C	.	.	H	α-helix	trans	-59.4	-47.1	174.8	-75.7	171.6	-28.5	0	0	112.1	M343 V906 L908 L912 I913 L914 M932	M343-Q910 HydrophobicContact CB-CG 4.23Å; M343-Q910 HydrophobicContact CE-CB 4.08Å; M343-Q910 HydrophobicContact CE-CG 4.16Å; M343-Q910 HydrophobicContact SD-CB 3.64Å; M343-Q910 HydrophobicContact SD-CG 3.8Å; V906-Q910 WeakPolarHBondContact O-CB 3.46Å; V906-Q910 VanDerWaalsContact O-CG 3.31Å; V906-Q910 WeakPolarHBondContact O-CG 3.38Å; V906-Q910 PolarHBondContact O-N 3.02Å; L908-Q910 VanDerWaalsContact C-N 3.32Å; L908-Q910 PolarHBondContact O-N 3.12Å; Q910-L912 PolarHBondContact O-N 2.95Å; Q910-I913 PolarHBondContact O-N 3.34Å; Q910-L914 VanDerWaalsContact O-CG 3.27Å; Q910-L914 WeakPolarHBondContact O-CG 3.48Å; Q910-L914 PolarHBondContact O-N 3.37Å; Q910-M932 HydrophobicContact CB-CE 4.08Å
911	C	97.1	Very high	94.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.8	-37.2	177.5	-69.5	0	0	0	0	112.9	T907 L908 L914 Q915 M920 F925 L929	T907-C911 PolarHBondContact O-N 3.32Å; T907-C911 PolarHBondContact O-SG 2.9Å; L908-C911 PolarHBondContact O-N 2.75Å; C911-L914 PolarHBondContact O-N 3.22Å; C911-Q915 PolarHBondContact O-N 2.86Å; C911-M920 HydrophobicContact CB-CE 4.49Å; C911-M920 WeakPolarHBondContact O-CE 3.4Å; C911-F925 HydrophobicContact CB-CD2 4.25Å; C911-F925 HydrophobicContact CB-CE2 3.74Å; C911-F925 HydrophobicContact CB-CZ 4.02Å; C911-L929 HydrophobicContact CB-CD1 4.39Å
912	L	95.4	Very high	94.7	Very high	29 Å²	29	15.3 Å²	15.3	15%	0.152	9%	0.086	C	C	.	.	H	α-helix	trans	-63.9	-42.7	174.5	-72.2	168.8	0	0	0	111.2	W878 L908 E909 Q910 Q915 H916 F925	W878-L912 HydrophobicContact CD2-CD1 4.43Å; W878-L912 HydrophobicContact CG-CD1 4.21Å; L908-L912 HydrophobicContact CD1-CD1 4.43Å; L908-L912 HydrophobicContact CD1-CG 4.41Å; L908-L912 HydrophobicContact CG-CD1 4.11Å; L908-L912 VanDerWaalsContact O-CG 3.3Å; L908-L912 WeakPolarHBondContact O-CG 3.35Å; L908-L912 PolarHBondContact O-N 2.73Å; E909-L912 PolarHBondContact O-N 3.27Å; Q910-L912 PolarHBondContact O-N 2.95Å; L912-Q915 PolarHBondContact O-N 3.29Å; L912-H916 WeakPolarHBondContact O-CB 3.48Å; L912-H916 PolarHBondContact O-CD2 3.33Å; L912-H916 PolarHBondContact O-N 2.9Å; L912-F925 HydrophobicContact CD2-CE2 3.97Å; L912-F925 HydrophobicContact CD2-CZ 3.95Å; L912-F925 HydrophobicContact CG-CE2 4.29Å; L912-F925 HydrophobicContact CG-CZ 4.21Å
913	I	94.8	Very high	94.5	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	12%	0.121	C	C	.	.	H	α-helix	trans	-60.5	-47.1	174.3	-69	163.3	0	0	0	110.5	M343 Y355 E909 Q910 Q915 H916 E917	M343-I913 HydrophobicContact CE-CB 4.07Å; M343-I913 HydrophobicContact CE-CG2 3.85Å; Y355-I913 HydrophobicContact CD1-CD1 4.01Å; Y355-I913 HydrophobicContact CD1-CG2 3.93Å; Y355-I913 HydrophobicContact CD2-CG2 4.01Å; Y355-I913 HydrophobicContact CE1-CG2 3.61Å; Y355-I913 HydrophobicContact CE2-CG2 3.7Å; Y355-I913 HydrophobicContact CG-CD1 4.25Å; Y355-I913 HydrophobicContact CG-CG2 4.11Å; Y355-I913 VanDerWaalsContact CZ-CG2 3.47Å; E909-I913 HydrophobicContact CG-CD1 4.09Å; E909-I913 VanDerWaalsContact O-CG1 3.28Å; E909-I913 WeakPolarHBondContact O-CG1 3.35Å; E909-I913 PolarHBondContact O-N 3.29Å; Q910-I913 PolarHBondContact O-N 3.34Å; I913-Q915 VanDerWaalsContact C-N 3.26Å; I913-Q915 PolarHBondContact O-N 3.34Å; I913-H916 PolarHBondContact O-N 3.33Å; I913-E917 HydrophobicContact CG2-CB 4.42Å; I913-E917 HydrophobicContact CG2-CG 4.43Å; I913-E917 WeakPolarHBondContact O-CB 3.43Å; I913-E917 PolarHBondContact O-N 2.84Å
914	L	94.2	Very high	94.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.6	-37.8	179	-68.9	166.9	0	0	0	112.1	F235 L243 I245 M343 V345 Q910 C911 H918 G919 M920	F235-L914 HydrophobicContact CD2-CD1 3.85Å; F235-L914 HydrophobicContact CE2-CD1 3.73Å; L243-L914 HydrophobicContact CD1-CD2 4.14Å; I245-L914 HydrophobicContact CD1-CD2 4.4Å; I245-L914 HydrophobicContact CG1-CD1 4.23Å; I245-L914 HydrophobicContact CG1-CD2 3.71Å; M343-L914 HydrophobicContact CE-CD2 4.22Å; M343-L914 HydrophobicContact CE-CG 4.03Å; M343-L914 HydrophobicContact SD-CD1 3.87Å; M343-L914 HydrophobicContact SD-CD2 4.1Å; M343-L914 HydrophobicContact SD-CG 3.92Å; V345-L914 HydrophobicContact CB-CD2 4.39Å; V345-L914 HydrophobicContact CG1-CD2 3.85Å; V345-L914 HydrophobicContact CG2-CD2 3.58Å; Q910-L914 VanDerWaalsContact O-CG 3.27Å; Q910-L914 WeakPolarHBondContact O-CG 3.48Å; Q910-L914 PolarHBondContact O-N 3.37Å; C911-L914 PolarHBondContact O-N 3.22Å; L914-H918 CarbonylContact O-C 3.59Å; L914-H918 WeakPolarHBondContact O-CA 3.26Å; L914-H918 WeakPolarHBondContact O-CB 3.21Å; L914-H918 PolarHBondContact O-N 2.98Å; L914-G919 PolarHBondContact O-N 2.82Å; L914-M920 HydrophobicContact CB-CB 4.09Å; L914-M920 HydrophobicContact CB-CE 4.13Å; L914-M920 HydrophobicContact CB-SD 4Å; L914-M920 VanDerWaalsContact O-CB 3.27Å; L914-M920 WeakPolarHBondContact O-CB 3.25Å; L914-M920 PolarHBondContact O-N 2.8Å
915	Q	92.5	Very high	94.2	Very high	51 Å²	51	24.1 Å²	24.1	24%	0.238	13%	0.128	C	C	.	.	H	α-helix	trans	-72	-52.1	176.7	-175.2	174.8	51.1	0	0	112.4	C911 L912 I913 G919 M920 F925	C911-Q915 PolarHBondContact O-N 2.86Å; L912-Q915 PolarHBondContact O-N 3.29Å; I913-Q915 VanDerWaalsContact C-N 3.26Å; I913-Q915 PolarHBondContact O-N 3.34Å; Q915-G919 PolarHBondContact O-N 3.33Å; Q915-M920 HydrophobicContact CB-CE 4.08Å; Q915-F925 HydrophobicContact CB-CD2 4.25Å
916	H	90.3	Very high	94.1	Very high	83 Å²	83	27.8 Å²	27.8	38%	0.384	15%	0.15	S	C	.	.	H	α-helix	trans	-80.2	-33.6	-170.3	-65.3	-54.4	0	0	0	113.8	L912 I913	L912-H916 WeakPolarHBondContact O-CB 3.48Å; L912-H916 PolarHBondContact O-CD2 3.33Å; L912-H916 PolarHBondContact O-N 2.9Å; I913-H916 PolarHBondContact O-N 3.33Å
917	E	90.1	Very high	93.9	Very high	27 Å²	27	30.9 Å²	30.9	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-104.5	-26.3	-174.7	-59.2	-62.9	166.5	0	0	113	S849 R850 I913	S849-E917 WeakPolarHBondContact CA-OE2 3.18Å; S849-E917 PolarHBondContact OG-OE1 2.85Å; S849-E917 PolarHBondContact OG-OE2 3.3Å; R850-E917 WeakPolarHBondContact CD-O 3.29Å; R850-E917 PolarHBondContact N-OE2 3.36Å; I913-E917 HydrophobicContact CG2-CB 4.42Å; I913-E917 HydrophobicContact CG2-CG 4.43Å; I913-E917 WeakPolarHBondContact O-CB 3.43Å; I913-E917 PolarHBondContact O-N 2.84Å
918	H	90.2	Very high	93.8	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.046	17%	0.165	C	C	.	.	H	α-helix	trans	-117.2	1.1	-175.2	-61.3	-79.1	0	0	0	114.6	L243 V345 Y355 L914 M920	L243-H918 HydrophobicContact CD1-CB 3.76Å; L243-H918 HydrophobicContact CD2-CB 4.07Å; V345-H918 HydrophobicContact CG1-CB 4.28Å; Y355-H918 AromaticContact CE2-NE2 3.17Å; Y355-H918 WeakPolarHBondContact CE2-NE2 3.48Å; Y355-H918 AromaticContact CZ-NE2 3.35Å; Y355-H918 VanDerWaalsContact CZ-NE2 3.35Å; Y355-H918 PolarHBondContact OH-NE2 2.87Å; L914-H918 CarbonylContact O-C 3.59Å; L914-H918 WeakPolarHBondContact O-CA 3.26Å; L914-H918 WeakPolarHBondContact O-CB 3.21Å; L914-H918 PolarHBondContact O-N 2.98Å; H918-M920 VanDerWaalsContact C-N 3.33Å; H918-M920 PolarHBondContact O-N 2.91Å
919	G	89.6	Confident	93.7	Very high	27 Å²	27	31.1 Å²	31.1	28%	0.278	17%	0.166	S	C	.	.			trans	69.8	26.8	173.7	0	0	0	0	0	114.5	T237 T238 L914 Q915 A921	T237-G919 WeakPolarHBondContact CA-O 3.33Å; T238-G919 PolarHBondContact N-O 2.86Å; T238-G919 VanDerWaalsContact N-O 3.1Å; T238-G919 PolarHBondContact OG1-O 3.39Å; L914-G919 PolarHBondContact O-N 2.82Å; Q915-G919 PolarHBondContact O-N 3.33Å; G919-A921 PolarHBondContact O-N 3.34Å
920	M	93.4	Very high	93.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-53.3	133.4	170.2	-179.4	-177.7	65.9	0	0	110	F235 L243 C911 L914 Q915 H918 F925 A928	F235-M920 HydrophobicContact CB-CG 4.37Å; F235-M920 HydrophobicContact CB-SD 4.36Å; F235-M920 HydrophobicContact CD2-SD 3.77Å; F235-M920 HydrophobicContact CE2-SD 4.48Å; F235-M920 HydrophobicContact CG-SD 4.37Å; L243-M920 HydrophobicContact CD1-CB 4.01Å; C911-M920 HydrophobicContact CB-CE 4.49Å; C911-M920 WeakPolarHBondContact O-CE 3.4Å; L914-M920 HydrophobicContact CB-CB 4.09Å; L914-M920 HydrophobicContact CB-CE 4.13Å; L914-M920 HydrophobicContact CB-SD 4Å; L914-M920 VanDerWaalsContact O-CB 3.27Å; L914-M920 WeakPolarHBondContact O-CB 3.25Å; L914-M920 PolarHBondContact O-N 2.8Å; Q915-M920 HydrophobicContact CB-CE 4.08Å; H918-M920 VanDerWaalsContact C-N 3.33Å; H918-M920 PolarHBondContact O-N 2.91Å; M920-F925 HydrophobicContact CE-CB 4.21Å; M920-F925 HydrophobicContact CE-CD2 3.65Å; M920-F925 HydrophobicContact CE-CE2 4.48Å; M920-F925 HydrophobicContact CE-CG 4.32Å; M920-A928 HydrophobicContact SD-CB 3.92Å
921	A	93.1	Very high	93.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.185	C	C	.	.			trans	-59.1	126.9	-176.4	0	0	0	0	0	111.8	P236 G919 Q923 V924	P236-A921 WeakPolarHBondContact O-CB 3.44Å; P236-A921 PolarHBondContact O-N 3.37Å; G919-A921 PolarHBondContact O-N 3.34Å; A921-Q923 HydrophobicContact CB-CG 4.41Å; A921-Q923 PolarHBondContact O-N 2.93Å; A921-Q923 VanDerWaalsContact O-N 3.16Å; A921-V924 HydrophobicContact CB-CG2 4.25Å; A921-V924 PolarHBondContact O-N 3.31Å
922	P	92.6	Very high	93.3	Very high	73 Å²	73	35.1 Å²	35.1	47%	0.474	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-57.1	-34.3	-176.4	-27.6	34.9	0	0	0	114.3	V924 F925	P922-V924 PolarHBondContact O-N 3.08Å; P922-F925 WeakPolarHBondContact O-CB 3.46Å; P922-F925 PolarHBondContact O-N 3.49Å
923	Q	92.3	Very high	93.3	Very high	157 Å²	157	34 Å²	34	73%	0.734	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-63.5	-23.5	176.9	60.2	-88.7	18.6	0	0	113.7	A921	A921-Q923 HydrophobicContact CB-CG 4.41Å; A921-Q923 PolarHBondContact O-N 2.93Å; A921-Q923 VanDerWaalsContact O-N 3.16Å
924	V	92.7	Very high	93.2	Very high	13 Å²	13	34.6 Å²	34.6	8%	0.079	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-92.5	-12.5	-177.9	-177.4	0	0	0	0	112.6	L98 P236 A921 P922 T926 Q927 A928	L98-V924 HydrophobicContact CD1-CG1 3.75Å; L98-V924 HydrophobicContact CD2-CG1 4.3Å; P236-V924 HydrophobicContact CG-CB 4.19Å; P236-V924 HydrophobicContact CG-CG1 4.13Å; P236-V924 HydrophobicContact CG-CG2 3.51Å; A921-V924 HydrophobicContact CB-CG2 4.25Å; A921-V924 PolarHBondContact O-N 3.31Å; P922-V924 PolarHBondContact O-N 3.08Å; V924-T926 VanDerWaalsContact C-N 3.32Å; V924-T926 PolarHBondContact O-N 2.85Å; V924-T926 VanDerWaalsContact O-N 3.15Å; V924-Q927 HydrophobicContact CG1-CB 4.44Å; V924-Q927 PolarHBondContact O-N 3.22Å; V924-A928 HydrophobicContact CG1-CB 4.41Å; V924-A928 WeakPolarHBondContact O-CB 3.33Å; V924-A928 PolarHBondContact O-N 3.13Å
925	F	95.2	Very high	93	Very high	16 Å²	16	35.9 Å²	35.9	7%	0.07	19%	0.189	C	C	.	.	H	α-helix	trans	-48.6	-48.8	-176	-176	-86.1	0	0	0	113.8	L908 C911 L912 Q915 M920 P922 L929	L908-F925 HydrophobicContact CD1-CE1 4.15Å; L908-F925 HydrophobicContact CD1-CZ 3.8Å; C911-F925 HydrophobicContact CB-CD2 4.25Å; C911-F925 HydrophobicContact CB-CE2 3.74Å; C911-F925 HydrophobicContact CB-CZ 4.02Å; L912-F925 HydrophobicContact CD2-CE2 3.97Å; L912-F925 HydrophobicContact CD2-CZ 3.95Å; L912-F925 HydrophobicContact CG-CE2 4.29Å; L912-F925 HydrophobicContact CG-CZ 4.21Å; Q915-F925 HydrophobicContact CB-CD2 4.25Å; M920-F925 HydrophobicContact CE-CB 4.21Å; M920-F925 HydrophobicContact CE-CD2 3.65Å; M920-F925 HydrophobicContact CE-CE2 4.48Å; M920-F925 HydrophobicContact CE-CG 4.32Å; P922-F925 WeakPolarHBondContact O-CB 3.46Å; P922-F925 PolarHBondContact O-N 3.49Å; F925-L929 HydrophobicContact CE1-CD2 4.29Å; F925-L929 WeakPolarHBondContact O-CB 3.27Å; F925-L929 PolarHBondContact O-N 3.22Å
926	T	94.8	Very high	93	Very high	78 Å²	78	33.4 Å²	33.4	48%	0.479	18%	0.178	S	C	.	.	H	α-helix	trans	-66.3	-43.3	-179.5	-54.4	0	0	0	0	111.5	V924 L929 E930	V924-T926 VanDerWaalsContact C-N 3.32Å; V924-T926 PolarHBondContact O-N 2.85Å; V924-T926 VanDerWaalsContact O-N 3.15Å; T926-L929 PolarHBondContact O-N 3.46Å; T926-E930 WeakPolarHBondContact O-CG 3.34Å; T926-E930 PolarHBondContact O-N 2.69Å
927	Q	93.3	Very high	93.1	Very high	65 Å²	65	29.5 Å²	29.5	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-65.5	-42.2	179.6	-170	-173.3	-4.2	0	0	111.5	L98 V924 E930 C931	L98-Q927 HydrophobicContact CD1-CB 4.06Å; L98-Q927 HydrophobicContact CD1-CG 3.62Å; L98-Q927 HydrophobicContact CG-CG 4.35Å; V924-Q927 HydrophobicContact CG1-CB 4.44Å; V924-Q927 PolarHBondContact O-N 3.22Å; Q927-E930 PolarHBondContact O-N 3.4Å; Q927-C931 VanDerWaalsContact O-CB 3.24Å; Q927-C931 WeakPolarHBondContact O-CB 3.46Å; Q927-C931 PolarHBondContact O-N 3.24Å
928	A	95.3	Very high	93.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-47.4	174.8	0	0	0	0	0	111.4	L98 F235 M920 V924 E930 C931 M932	L98-A928 HydrophobicContact CD1-CB 4.41Å; F235-A928 HydrophobicContact CD1-CB 4.38Å; F235-A928 HydrophobicContact CD2-CB 3.97Å; F235-A928 HydrophobicContact CE1-CB 4.07Å; F235-A928 HydrophobicContact CE2-CB 3.65Å; F235-A928 HydrophobicContact CG-CB 4.35Å; F235-A928 HydrophobicContact CZ-CB 3.71Å; M920-A928 HydrophobicContact SD-CB 3.92Å; V924-A928 HydrophobicContact CG1-CB 4.41Å; V924-A928 WeakPolarHBondContact O-CB 3.33Å; V924-A928 PolarHBondContact O-N 3.13Å; A928-E930 VanDerWaalsContact C-N 3.34Å; A928-E930 PolarHBondContact O-N 2.97Å; A928-C931 PolarHBondContact O-N 3.27Å; A928-M932 WeakPolarHBondContact O-CG 3.25Å; A928-M932 PolarHBondContact O-N 2.95Å
929	L	96	Very high	93.4	Very high	8 Å²	8	29 Å²	29	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-43	178.7	-176	61.9	0	0	0	112.2	T907 L908 C911 F925 T926 R933	T907-L929 WeakPolarHBondContact O-CD1 3.19Å; L908-L929 HydrophobicContact CB-CD1 4.29Å; L908-L929 HydrophobicContact CD1-CD1 4.46Å; L908-L929 HydrophobicContact CD1-CD2 4Å; C911-L929 HydrophobicContact CB-CD1 4.39Å; F925-L929 HydrophobicContact CE1-CD2 4.29Å; F925-L929 WeakPolarHBondContact O-CB 3.27Å; F925-L929 PolarHBondContact O-N 3.22Å; T926-L929 PolarHBondContact O-N 3.46Å; L929-R933 WeakPolarHBondContact O-CB 3.27Å; L929-R933 VanDerWaalsContact O-CG 3.28Å; L929-R933 WeakPolarHBondContact O-CG 3.44Å; L929-R933 PolarHBondContact O-N 3.42Å
930	E	94.2	Very high	93.5	Very high	93 Å²	93	29.1 Å²	29.1	44%	0.435	15%	0.15	S	C	.	.	H	α-helix	trans	-66.6	-43.3	176.2	-71.6	-179.6	179.7	0	0	111.8	T926 Q927 A928 R933 S934 P968	T926-E930 WeakPolarHBondContact O-CG 3.34Å; T926-E930 PolarHBondContact O-N 2.69Å; Q927-E930 PolarHBondContact O-N 3.4Å; A928-E930 VanDerWaalsContact C-N 3.34Å; A928-E930 PolarHBondContact O-N 2.97Å; E930-R933 CarbonylContact O-C 3.52Å; E930-R933 PolarHBondContact O-N 3.11Å; E930-R933 VanDerWaalsContact O-N 3.16Å; E930-S934 WeakPolarHBondContact O-CB 3.48Å; E930-S934 PolarHBondContact O-N 3Å; E930-S934 PolarHBondContact O-OG 2.92Å; E930-P968 HydrophobicContact CB-CB 4.23Å; E930-P968 HydrophobicContact CB-CG 4.4Å; E930-P968 HydrophobicContact CG-CB 4.11Å
931	C	94.8	Very high	93.5	Very high	2 Å²	2	29 Å²	29	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-58.7	-48.8	177	179.1	0	0	0	0	112	E87 Q927 A928 R933 S934 E935	E87-C931 HydrophobicContact CB-CB 4.38Å; E87-C931 HydrophobicContact CG-CB 4.29Å; Q927-C931 VanDerWaalsContact O-CB 3.24Å; Q927-C931 WeakPolarHBondContact O-CB 3.46Å; Q927-C931 PolarHBondContact O-N 3.24Å; A928-C931 PolarHBondContact O-N 3.27Å; C931-R933 PolarHBondContact O-N 2.96Å; C931-S934 PolarHBondContact O-N 2.92Å; C931-S934 PolarHBondContact O-OG 2.74Å; C931-S934 VanDerWaalsContact O-OG 3.11Å; C931-E935 PolarHBondContact O-N 2.84Å
932	M	95.5	Very high	93.5	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.5	-31.1	177.3	-66.5	-176	79.3	0	0	112.1	Y233 F235 E247 T907 Q910 A928 G936	Y233-M932 HydrophobicContact CE1-CG 4.34Å; Y233-M932 HydrophobicContact CE2-CE 4.47Å; Y233-M932 HydrophobicContact CE2-CG 4.3Å; F235-M932 HydrophobicContact CE2-SD 4.17Å; F235-M932 HydrophobicContact CZ-CG 4.06Å; F235-M932 HydrophobicContact CZ-SD 4.28Å; E247-M932 HydrophobicContact CG-CE 4.46Å; T907-M932 HydrophobicContact CG2-CB 4.08Å; Q910-M932 HydrophobicContact CB-CE 4.08Å; A928-M932 WeakPolarHBondContact O-CG 3.25Å; A928-M932 PolarHBondContact O-N 2.95Å; M932-G936 WeakPolarHBondContact O-CA 3.22Å; M932-G936 PolarHBondContact O-N 2.86Å
933	R	95.3	Very high	93.4	Very high	4 Å²	4	29 Å²	29	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-80.5	-27	176	-71.9	174.3	177.9	171.3	3	113.7	M904 T907 L929 E930 C931 R939 Y951 H964 R966 P968	M904-R933 HydrophobicContact CE-CG 3.99Å; M904-R933 PolarHBondContact O-NH2 2.9Å; T907-R933 HydrophobicContact CG2-CG 4.08Å; T907-R933 WeakPolarHBondContact OG1-CG 3.34Å; T907-R933 PolarHBondContact OG1-NE 3.38Å; L929-R933 WeakPolarHBondContact O-CB 3.27Å; L929-R933 VanDerWaalsContact O-CG 3.28Å; L929-R933 WeakPolarHBondContact O-CG 3.44Å; L929-R933 PolarHBondContact O-N 3.42Å; E930-R933 CarbonylContact O-C 3.52Å; E930-R933 PolarHBondContact O-N 3.11Å; E930-R933 VanDerWaalsContact O-N 3.16Å; C931-R933 PolarHBondContact O-N 2.96Å; R933-R939 WeakPolarHBondContact O-CD 3.4Å; R933-R939 WeakPolarHBondContact O-CG 3.49Å; R933-Y951 WeakPolarHBondContact O-CE2 3.39Å; R933-Y951 PolarHBondContact O-OH 3Å; R933-H964 VanDerWaalsContact CZ-O 3.26Å; R933-H964 PolarHBondContact NH1-O 3Å; R933-H964 PolarHBondContact NH2-O 2.92Å; R933-R966 PolarHBondContact NH1-O 3.28Å; R933-P968 HydrophobicContact CB-CG 4.09Å
934	S	91.8	Very high	93.4	Very high	16 Å²	16	24.8 Å²	24.8	11%	0.112	12%	0.123	C	C	.	.	H	α-helix	trans	-85.3	-40.6	-179.6	59.4	0	0	0	0	113	E930 C931 R939	E930-S934 WeakPolarHBondContact O-CB 3.48Å; E930-S934 PolarHBondContact O-N 3Å; E930-S934 PolarHBondContact O-OG 2.92Å; C931-S934 PolarHBondContact O-N 2.92Å; C931-S934 PolarHBondContact O-OG 2.74Å; C931-S934 VanDerWaalsContact O-OG 3.11Å; S934-R939 WeakPolarHBondContact O-CG 3.47Å; S934-R939 PolarHBondContact O-NE 2.85Å
935	E	90.1	Very high	93.3	Very high	27 Å²	27	24.5 Å²	24.5	13%	0.126	12%	0.12	C	C	.	.	H	α-helix	trans	-123.4	1.3	-171.8	-58.2	-52.7	138.9	0	0	114	Q85 E87 R231 C931	Q85-E935 WeakPolarHBondContact CG-OE2 3.06Å; Q85-E935 PolarHBondContact NE2-OE1 3.24Å; Q85-E935 PolarHBondContact NE2-OE2 2.84Å; E87-E935 HydrophobicContact CB-CG 4.38Å; R231-E935 VanDerWaalsContact CD-O 3.29Å; R231-E935 WeakPolarHBondContact CD-O 3.04Å; R231-E935 PolarHBondContact NE-O 2.91Å; C931-E935 PolarHBondContact O-N 2.84Å
936	G	92.4	Very high	92.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-77.7	174.2	-178.7	0	0	0	0	0	116.6	Y233 E247 M932 R938 R939	Y233-G936 WeakPolarHBondContact OH-CA 3.11Å; E247-G936 VanDerWaalsContact OE2-CA 3.25Å; E247-G936 WeakPolarHBondContact OE2-CA 3.23Å; M932-G936 WeakPolarHBondContact O-CA 3.22Å; M932-G936 PolarHBondContact O-N 2.86Å; G936-R938 PolarHBondContact O-N 3.02Å; G936-R938 VanDerWaalsContact O-N 3.12Å; G936-R939 WeakPolarHBondContact O-CB 3.49Å; G936-R939 PolarHBondContact O-N 2.89Å
937	C	93.8	Very high	92.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.5	-31.6	-174	-68.4	0	0	0	0	112.5	I229 E247 M249 R939 E940 N941	I229-C937 HydrophobicContact CG2-CB 4.5Å; I229-C937 PolarHBondContact O-SG 2.83Å; E247-C937 HydrophobicContact CG-CB 4.33Å; E247-C937 PolarHBondContact O-SG 2.9Å; E247-C937 VanDerWaalsContact O-SG 3.38Å; E247-C937 PolarHBondContact OE2-N 3.41Å; M249-C937 HydrophobicContact CB-CB 3.7Å; C937-R939 PolarHBondContact O-N 3.09Å; C937-E940 PolarHBondContact O-N 2.91Å; C937-E940 VanDerWaalsContact O-N 3.11Å; C937-N941 PolarHBondContact O-N 2.88Å
938	R	94.7	Very high	92.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-15	179.2	-60	-59.3	-58.5	-177	-8.3	114	T359 A898 K899 A903 G936 N941 T942	T359-R938 PolarHBondContact OG1-NH1 2.96Å; T359-R938 VanDerWaalsContact OG1-NH1 3.16Å; A898-R938 PolarHBondContact O-NH2 3.01Å; K899-R938 PolarHBondContact O-NH2 2.86Å; A903-R938 HydrophobicContact CB-CB 3.66Å; A903-R938 HydrophobicContact CB-CG 4.06Å; G936-R938 PolarHBondContact O-N 3.02Å; G936-R938 VanDerWaalsContact O-N 3.12Å; R938-N941 PolarHBondContact NH1-ND2 2.82Å; R938-N941 PolarHBondContact NH2-ND2 2.92Å; R938-N941 WeakPolarHBondContact O-CB 3.39Å; R938-T942 PolarHBondContact O-N 2.8Å
939	R	91.9	Very high	92.1	Very high	26 Å²	26	28.6 Å²	28.6	10%	0.098	15%	0.15	C	C	.	.	H	α-helix	trans	-76.9	-35.3	170.8	-70.6	-78	-81.3	168.2	-2.7	112.5	R933 S934 G936 C937 N941 T942 M943 R949 K950 T971	R933-R939 WeakPolarHBondContact O-CD 3.4Å; R933-R939 WeakPolarHBondContact O-CG 3.49Å; S934-R939 WeakPolarHBondContact O-CG 3.47Å; S934-R939 PolarHBondContact O-NE 2.85Å; G936-R939 WeakPolarHBondContact O-CB 3.49Å; G936-R939 PolarHBondContact O-N 2.89Å; C937-R939 PolarHBondContact O-N 3.09Å; R939-N941 PolarHBondContact O-N 2.8Å; R939-T942 PolarHBondContact O-N 2.77Å; R939-T942 PolarHBondContact O-OG1 3.46Å; R939-M943 PolarHBondContact O-N 3.34Å; R939-R949 PolarHBondContact NH1-O 3.31Å; R939-R949 PolarHBondContact NH2-O 3.11Å; R939-K950 VanDerWaalsContact NH1-CA 3.28Å; R939-T971 PolarHBondContact NH1-O 3.26Å
940	E	91.2	Very high	91.8	Very high	31 Å²	31	31.8 Å²	31.8	15%	0.145	16%	0.164	C	C	.	.	H	α-helix	trans	-68.9	-28.6	170.3	-62.3	-55.3	144	0	0	111	I229 R231 C937 T942 M943 K944 R949	I229-E940 HydrophobicContact CD1-CB 3.77Å; I229-E940 HydrophobicContact CD1-CG 4.45Å; I229-E940 HydrophobicContact CG2-CG 4.26Å; R231-E940 IonicContact NH2-OE1 3.27Å; R231-E940 PolarHBondContact NH2-OE1 3.02Å; C937-E940 PolarHBondContact O-N 2.91Å; C937-E940 VanDerWaalsContact O-N 3.11Å; E940-T942 VanDerWaalsContact C-N 3.31Å; E940-T942 PolarHBondContact O-N 3.33Å; E940-M943 WeakPolarHBondContact O-CB 3.14Å; E940-M943 PolarHBondContact O-N 2.96Å; E940-K944 PolarHBondContact O-N 3.14Å; E940-R949 IonicContact OE1-CZ 3.55Å; E940-R949 IonicContact OE1-NE 3.48Å; E940-R949 PolarHBondContact OE1-NE 2.97Å; E940-R949 IonicContact OE1-NH2 3.48Å; E940-R949 PolarHBondContact OE1-NH2 3.42Å; E940-R949 IonicContact OE2-CZ 2.79Å; E940-R949 IonicContact OE2-NE 3.54Å; E940-R949 PolarHBondContact OE2-NE 2.84Å; E940-R949 IonicContact OE2-NH2 2.75Å; E940-R949 PolarHBondContact OE2-NH2 2.93Å
941	N	93.4	Very high	91.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.7	-40.5	171.4	-166.1	23.5	0	0	0	112.4	M249 N337 C937 R938 R939 M943 K944 N945	M249-N941 HydrophobicContact CE-CB 3.87Å; M249-N941 HydrophobicContact SD-CB 3.84Å; N337-N941 PolarHBondContact ND2-ND2 3.28Å; N337-N941 PolarHBondContact OD1-OD1 3.35Å; N337-N941 VanDerWaalsContact OD1-OD1 3.1Å; C937-N941 PolarHBondContact O-N 2.88Å; R938-N941 PolarHBondContact NH1-ND2 2.82Å; R938-N941 PolarHBondContact NH2-ND2 2.92Å; R938-N941 WeakPolarHBondContact O-CB 3.39Å; R939-N941 PolarHBondContact O-N 2.8Å; N941-M943 VanDerWaalsContact C-N 3.32Å; N941-M943 PolarHBondContact O-N 2.75Å; N941-K944 PolarHBondContact O-N 3.39Å; N941-N945 WeakPolarHBondContact O-CB 3.45Å; N941-N945 PolarHBondContact O-N 3.33Å; N941-N945 PolarHBondContact O-ND2 3.23Å; N941-N945 PolarHBondContact OD1-ND2 2.94Å
942	T	92.5	Very high	91.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.2	-38.5	176.5	72.3	0	0	0	0	111.1	K899 R938 R939 E940 N945 V946 S948 R949 K950 Y951	K899-T942 HydrophobicContact CD-CG2 4.28Å; K899-T942 HydrophobicContact CG-CG2 3.99Å; R938-T942 PolarHBondContact O-N 2.8Å; R939-T942 PolarHBondContact O-N 2.77Å; R939-T942 PolarHBondContact O-OG1 3.46Å; E940-T942 VanDerWaalsContact C-N 3.31Å; E940-T942 PolarHBondContact O-N 3.33Å; T942-N945 PolarHBondContact O-N 3.16Å; T942-V946 WeakPolarHBondContact O-CG2 3.23Å; T942-V946 PolarHBondContact O-N 3.33Å; T942-S948 CarbonylContact C-O 3.58Å; T942-S948 VanDerWaalsContact CB-O 3.3Å; T942-S948 WeakPolarHBondContact CB-O 3.41Å; T942-S948 PolarHBondContact OG1-O 2.79Å; T942-R949 WeakPolarHBondContact OG1-CA 3.23Å; T942-K950 PolarHBondContact OG1-N 3.23Å; T942-Y951 HydrophobicContact CG2-CD1 3.67Å; T942-Y951 HydrophobicContact CG2-CE1 3.81Å
943	M	91.4	Very high	91.1	Very high	72 Å²	72	29.1 Å²	29.1	36%	0.355	16%	0.155	S	C	.	.	H	α-helix	trans	-59.4	-48.2	173.9	-175.2	67.3	-167.8	0	0	111.6	R939 E940 N941 N945 G947 S948 R949	R939-M943 PolarHBondContact O-N 3.34Å; E940-M943 WeakPolarHBondContact O-CB 3.14Å; E940-M943 PolarHBondContact O-N 2.96Å; N941-M943 VanDerWaalsContact C-N 3.32Å; N941-M943 PolarHBondContact O-N 2.75Å; M943-N945 VanDerWaalsContact C-N 3.28Å; M943-N945 PolarHBondContact O-N 2.76Å; M943-G947 WeakPolarHBondContact O-CA 3.46Å; M943-G947 PolarHBondContact O-N 3.1Å; M943-G947 VanDerWaalsContact SD-O 3.32Å; M943-S948 PolarHBondContact N-O 3.03Å; M943-R949 HydrophobicContact CB-CG 4.01Å; M943-R949 HydrophobicContact SD-CG 4.4Å
944	K	91	Very high	90.6	Very high	70 Å²	70	32.1 Å²	32.1	30%	0.304	17%	0.171	S	C	.	.	H	α-helix	trans	-62.7	-31.3	178.2	-75.4	-173	174.1	-178.1	0	113.5	I229 E251 F320 E940 N941	I229-K944 HydrophobicContact CD1-CD 4.45Å; E251-K944 WeakPolarHBondContact OE1-CE 3.34Å; E251-K944 IonicContact OE1-NZ 3.78Å; E251-K944 PolarHBondContact OE1-NZ 3.17Å; F320-K944 HydrophobicContact CE1-CD 4.33Å; F320-K944 HydrophobicContact CZ-CB 3.93Å; F320-K944 HydrophobicContact CZ-CD 4.45Å; E940-K944 PolarHBondContact O-N 3.14Å; N941-K944 PolarHBondContact O-N 3.39Å
945	N	90.2	Very high	90.2	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.032	19%	0.187	C	C	.	.	H	α-helix	trans	-87.4	-39.1	-176.9	-83.3	-87.1	0	0	0	114.3	A322 S323 S324 N337 K899 N941 T942 M943	A322-N945 WeakPolarHBondContact CA-OD1 3.48Å; S323-N945 WeakPolarHBondContact CB-OD1 3.41Å; S323-N945 PolarHBondContact N-OD1 2.8Å; S323-N945 PolarHBondContact OG-OD1 3.19Å; S324-N945 PolarHBondContact OG-O 3.46Å; N337-N945 PolarHBondContact ND2-ND2 3.08Å; N337-N945 PolarHBondContact OD1-ND2 2.91Å; K899-N945 HydrophobicContact CD-CB 3.79Å; N941-N945 WeakPolarHBondContact O-CB 3.45Å; N941-N945 PolarHBondContact O-N 3.33Å; N941-N945 PolarHBondContact O-ND2 3.23Å; N941-N945 PolarHBondContact OD1-ND2 2.94Å; T942-N945 PolarHBondContact O-N 3.16Å; M943-N945 VanDerWaalsContact C-N 3.28Å; M943-N945 PolarHBondContact O-N 2.76Å
946	V	88.4	Confident	90	Very high	35 Å²	35	39.1 Å²	39.1	21%	0.212	21%	0.212	C	C	.	.	H	α-helix	trans	-134.1	8.6	-171.3	-61.5	0	0	0	0	114	T942 S948 V975 T977	T942-V946 WeakPolarHBondContact O-CG2 3.23Å; T942-V946 PolarHBondContact O-N 3.33Å; V946-S948 PolarHBondContact O-N 2.85Å; V946-V975 HydrophobicContact CB-CG1 4.23Å; V946-V975 HydrophobicContact CG2-CG1 3.87Å; V946-T977 HydrophobicContact CG1-CG2 4.32Å
947	G	88.9	Confident	89.7	Confident	54 Å²	54	42 Å²	42	56%	0.557	23%	0.226	S	C	*	.	S	Bend	trans	70.6	12.6	179.6	0	0	0	0	0	114.5	M943	M943-G947 WeakPolarHBondContact O-CA 3.46Å; M943-G947 PolarHBondContact O-N 3.1Å; M943-G947 VanDerWaalsContact SD-O 3.32Å
948	S	87.9	Confident	89.4	Confident	35 Å²	35	42.5 Å²	42.5	25%	0.245	23%	0.228	C	C	.	.	S	Bend	trans	-137.5	134.1	-178.5	-173.9	0	0	0	0	112.2	T942 M943 V946 K950	T942-S948 CarbonylContact C-O 3.58Å; T942-S948 VanDerWaalsContact CB-O 3.3Å; T942-S948 WeakPolarHBondContact CB-O 3.41Å; T942-S948 PolarHBondContact OG1-O 2.79Å; M943-S948 PolarHBondContact N-O 3.03Å; V946-S948 PolarHBondContact O-N 2.85Å; S948-K950 PolarHBondContact O-N 2.96Å
949	R	89.3	Confident	89.1	Confident	121 Å²	121	50 Å²	50	46%	0.457	26%	0.261	S	S	.	.	S	Bend	trans	-78.3	59.9	167.7	-64.7	-176.1	-178.4	88.6	8.2	109.5	R939 E940 T942 M943	R939-R949 PolarHBondContact NH1-O 3.31Å; R939-R949 PolarHBondContact NH2-O 3.11Å; E940-R949 IonicContact OE1-CZ 3.55Å; E940-R949 IonicContact OE1-NE 3.48Å; E940-R949 PolarHBondContact OE1-NE 2.97Å; E940-R949 IonicContact OE1-NH2 3.48Å; E940-R949 PolarHBondContact OE1-NH2 3.42Å; E940-R949 IonicContact OE2-CZ 2.79Å; E940-R949 IonicContact OE2-NE 3.54Å; E940-R949 PolarHBondContact OE2-NE 2.84Å; E940-R949 IonicContact OE2-NH2 2.75Å; E940-R949 PolarHBondContact OE2-NH2 2.93Å; T942-R949 WeakPolarHBondContact OG1-CA 3.23Å; M943-R949 HydrophobicContact CB-CG 4.01Å; M943-R949 HydrophobicContact SD-CG 4.4Å
950	K	89.8	Confident	88.9	Confident	76 Å²	76	50 Å²	50	33%	0.33	27%	0.267	S	S	.	.	S	Bend	trans	-141.8	134.2	173	-73.6	-168	178.8	-176	0	110.4	R939 T942 S948 T971 V975	R939-K950 VanDerWaalsContact NH1-CA 3.28Å; T942-K950 PolarHBondContact OG1-N 3.23Å; S948-K950 PolarHBondContact O-N 2.96Å; K950-T971 CarbonylContact C-O 3.51Å; K950-T971 WeakPolarHBondContact CA-O 3.43Å; K950-V975 HydrophobicContact CB-CG2 3.75Å
951	Y	91.6	Very high	89	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-71.4	136.6	168.8	-60.7	-64.5	0	0	0	109.7	D900 A903 M904 R933 T942 F953 P967 T971 Y972 G973	D900-Y951 HydrophobicContact CB-CD1 4.29Å; D900-Y951 VanDerWaalsContact OD1-CA 3.22Å; D900-Y951 WeakPolarHBondContact OD1-CA 3.49Å; A903-Y951 HydrophobicContact CB-CE1 3.73Å; M904-Y951 HydrophobicContact CE-CD1 4.3Å; M904-Y951 HydrophobicContact CE-CD2 4.12Å; M904-Y951 HydrophobicContact CE-CE1 3.93Å; M904-Y951 HydrophobicContact CE-CE2 3.71Å; M904-Y951 HydrophobicContact CE-CG 4.4Å; R933-Y951 WeakPolarHBondContact O-CE2 3.39Å; R933-Y951 PolarHBondContact O-OH 3Å; T942-Y951 HydrophobicContact CG2-CD1 3.67Å; T942-Y951 HydrophobicContact CG2-CE1 3.81Å; Y951-F953 VanDerWaalsContact C-N 3.26Å; Y951-F953 PolarHBondContact O-N 2.86Å; Y951-P967 HydrophobicContact CD2-CB 3.84Å; Y951-P967 HydrophobicContact CE2-CB 4.29Å; Y951-T971 WeakPolarHBondContact CD2-O 3.5Å; Y951-T971 PolarHBondContact N-O 3.24Å; Y951-Y972 CarbonylContact O-C 3.57Å; Y951-Y972 WeakPolarHBondContact O-CA 3.24Å; Y951-Y972 WeakPolarHBondContact O-CB 3.04Å; Y951-G973 PolarHBondContact O-N 2.79Å
952	A	89.6	Confident	89	Confident	23 Å²	23	50.1 Å²	50.1	19%	0.19	27%	0.27	C	S	.	.			trans	-84.3	66.6	-175.9	0	0	0	0	0	111.8	D900 T977	D900-A952 PolarHBondContact OD1-N 2.75Å; A952-T977 HydrophobicContact CB-CG2 3.28Å
953	F	88.8	Confident	88.9	Confident	16 Å²	16	60 Å²	60	7%	0.07	31%	0.307	C	S	.	.			trans	-124.7	147.5	175	-58.6	-61	0	0	0	111.2	D900 R901 M904 Y951 L958 F961 P967 Y972 G973	D900-F953 HydrophobicContact CB-CD2 4.38Å; D900-F953 HydrophobicContact CB-CE1 3.89Å; D900-F953 HydrophobicContact CB-CE2 3.56Å; D900-F953 HydrophobicContact CB-CZ 3.28Å; R901-F953 HydrophobicContact CG-CE1 4.07Å; R901-F953 HydrophobicContact CG-CZ 4.05Å; M904-F953 HydrophobicContact CG-CE2 4.37Å; Y951-F953 VanDerWaalsContact C-N 3.26Å; Y951-F953 PolarHBondContact O-N 2.86Å; F953-L958 HydrophobicContact CB-CD1 4.22Å; F953-L958 HydrophobicContact CB-CD2 3.84Å; F953-L958 HydrophobicContact CB-CG 3.97Å; F953-L958 HydrophobicContact CD1-CD2 4.36Å; F953-L958 HydrophobicContact CD2-CD2 4.07Å; F953-L958 HydrophobicContact CG-CD2 3.86Å; F953-F961 HydrophobicContact CD1-CZ 4.1Å; F953-F961 AromaticContact CE1-CE1 3.93Å; F953-F961 HydrophobicContact CE1-CE1 3.93Å; F953-F961 AromaticContact CE1-CZ 3.62Å; F953-F961 HydrophobicContact CE1-CZ 3.62Å; F953-F961 HydrophobicContact CZ-CE1 4.05Å; F953-F961 HydrophobicContact CZ-CZ 4.22Å; F953-P967 HydrophobicContact CD2-CG 3.89Å; F953-P967 HydrophobicContact CE2-CG 4.3Å; F953-Y972 WeakPolarHBondContact O-CD2 3.43Å; F953-G973 CarbonylContact O-C 3.6Å; F953-G973 PolarHBondContact O-N 3.11Å
954	N	84.9	Confident	89	Confident	66 Å²	66	60.4 Å²	60.4	35%	0.353	31%	0.308	S	S	.	.			trans	-97.5	144	166.3	-178.7	-5.6	0	0	0	110.4	L956 Q957 L958	N954-L956 PolarHBondContact O-N 2.95Å; N954-L956 VanDerWaalsContact O-N 3.11Å; N954-L956 PolarHBondContact OD1-N 2.9Å; N954-Q957 HydrophobicContact CB-CG 4.17Å; N954-Q957 WeakPolarHBondContact O-CB 3.16Å; N954-Q957 PolarHBondContact O-N 2.77Å; N954-L958 PolarHBondContact O-N 3.41Å; N954-L958 VanDerWaalsContact O-N 3.08Å
955	S	83.3	Confident	89.2	Confident	66 Å²	66	57.1 Å²	57.1	46%	0.462	29%	0.294	S	S	.	.	H	α-helix	trans	-48.9	-36.3	173.9	-54.6	0	0	0	0	113.5
956	L	84.1	Confident	89.4	Confident	124 Å²	124	61.8 Å²	61.8	65%	0.649	31%	0.311	S	S	*	.	H	α-helix	trans	-68.5	-40.8	176.5	-172.2	66.4	0	0	0	112.3	N954 L958 K959	N954-L956 PolarHBondContact O-N 2.95Å; N954-L956 VanDerWaalsContact O-N 3.11Å; N954-L956 PolarHBondContact OD1-N 2.9Å; L956-L958 VanDerWaalsContact C-N 3.33Å; L956-L958 PolarHBondContact O-N 2.62Å; L956-K959 HydrophobicContact CD1-CD 4.36Å; L956-K959 WeakPolarHBondContact O-CB 3.34Å; L956-K959 PolarHBondContact O-N 3.18Å
957	Q	86.3	Confident	89.6	Confident	61 Å²	61	60.5 Å²	60.5	29%	0.285	30%	0.303	S	S	.	.	H	α-helix	trans	-63.8	-41.1	177.5	-66.4	171.7	-54.2	0	0	110.7	E805 N954 K959 A960 F961	E805-Q957 HydrophobicContact CG-CG 4.4Å; E805-Q957 PolarHBondContact OE1-NE2 3.16Å; N954-Q957 HydrophobicContact CB-CG 4.17Å; N954-Q957 WeakPolarHBondContact O-CB 3.16Å; N954-Q957 PolarHBondContact O-N 2.77Å; Q957-K959 PolarHBondContact O-N 3.27Å; Q957-A960 WeakPolarHBondContact O-CB 3.2Å; Q957-A960 PolarHBondContact O-N 2.88Å; Q957-F961 WeakPolarHBondContact O-CD2 3.24Å
958	L	88.3	Confident	89.6	Confident	10 Å²	10	58.4 Å²	58.4	5%	0.052	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-22.9	-179.9	-67.3	179.2	0	0	0	113.7	F953 N954 L956 A960 F961 R966 P967 Y972	F953-L958 HydrophobicContact CB-CD1 4.22Å; F953-L958 HydrophobicContact CB-CD2 3.84Å; F953-L958 HydrophobicContact CB-CG 3.97Å; F953-L958 HydrophobicContact CD1-CD2 4.36Å; F953-L958 HydrophobicContact CD2-CD2 4.07Å; F953-L958 HydrophobicContact CG-CD2 3.86Å; N954-L958 PolarHBondContact O-N 3.41Å; N954-L958 VanDerWaalsContact O-N 3.08Å; L956-L958 VanDerWaalsContact C-N 3.33Å; L956-L958 PolarHBondContact O-N 2.62Å; L958-A960 PolarHBondContact O-N 2.67Å; L958-F961 HydrophobicContact CD2-CD1 4.4Å; L958-F961 HydrophobicContact CD2-CD2 4.39Å; L958-F961 HydrophobicContact CD2-CG 4.28Å; L958-F961 WeakPolarHBondContact O-CB 3.32Å; L958-F961 PolarHBondContact O-N 2.91Å; L958-F961 VanDerWaalsContact O-N 3.1Å; L958-R966 PolarHBondContact O-NE 2.81Å; L958-P967 HydrophobicContact CD1-CG 3.91Å; L958-P967 HydrophobicContact CD2-CG 4.15Å; L958-Y972 HydrophobicContact CD1-CD1 3.92Å; L958-Y972 HydrophobicContact CD1-CD2 3.76Å; L958-Y972 HydrophobicContact CD1-CE1 3.72Å; L958-Y972 HydrophobicContact CD1-CE2 3.59Å; L958-Y972 HydrophobicContact CD1-CG 3.92Å
959	K	88.6	Confident	89.5	Confident	157 Å²	157	63 Å²	63	68%	0.683	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.5	172.1	-67	-174.5	-178.7	-179.9	0	112.3	L956 Q957 R966	L956-K959 HydrophobicContact CD1-CD 4.36Å; L956-K959 WeakPolarHBondContact O-CB 3.34Å; L956-K959 PolarHBondContact O-N 3.18Å; Q957-K959 PolarHBondContact O-N 3.27Å; K959-R966 PolarHBondContact O-NH2 3.41Å
960	A	88.2	Confident	89.2	Confident	27 Å²	27	58.4 Å²	58.4	22%	0.223	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-14.9	176.8	0	0	0	0	0	113.5	E805 K872 Q957 L958	E805-A960 HydrophobicContact CB-CB 3.93Å; K872-A960 PolarHBondContact NZ-O 3.11Å; Q957-A960 WeakPolarHBondContact O-CB 3.2Å; Q957-A960 PolarHBondContact O-N 2.88Å; L958-A960 PolarHBondContact O-N 2.67Å
961	F	92.4	Very high	89	Confident	5 Å²	5	55.1 Å²	55.1	2%	0.022	27%	0.274	C	S	.	.	S	Bend	trans	-78	145.8	-177.9	-82.5	-127.6	0	0	0	111.2	I803 N804 R901 F953 Q957 L958 R966	I803-F961 HydrophobicContact CD1-CD1 4.16Å; I803-F961 HydrophobicContact CD1-CE1 3.93Å; I803-F961 HydrophobicContact CG1-CD1 4.45Å; I803-F961 HydrophobicContact CG1-CE1 4.17Å; N804-F961 HydrophobicContact CB-CE2 3.84Å; N804-F961 HydrophobicContact CB-CZ 4.01Å; R901-F961 HydrophobicContact CG-CE1 4.02Å; R901-F961 HydrophobicContact CG-CZ 4.13Å; F953-F961 HydrophobicContact CD1-CZ 4.1Å; F953-F961 AromaticContact CE1-CE1 3.93Å; F953-F961 HydrophobicContact CE1-CE1 3.93Å; F953-F961 AromaticContact CE1-CZ 3.62Å; F953-F961 HydrophobicContact CE1-CZ 3.62Å; F953-F961 HydrophobicContact CZ-CE1 4.05Å; F953-F961 HydrophobicContact CZ-CZ 4.22Å; Q957-F961 WeakPolarHBondContact O-CD2 3.24Å; L958-F961 HydrophobicContact CD2-CD1 4.4Å; L958-F961 HydrophobicContact CD2-CD2 4.39Å; L958-F961 HydrophobicContact CD2-CG 4.28Å; L958-F961 WeakPolarHBondContact O-CB 3.32Å; L958-F961 PolarHBondContact O-N 2.91Å; L958-F961 VanDerWaalsContact O-N 3.1Å; F961-R966 HydrophobicContact CB-CG 4.03Å; F961-R966 PolarHBondContact O-NE 2.91Å; F961-R966 VanDerWaalsContact O-NE 3.13Å; F961-R966 PolarHBondContact O-NH2 3.05Å
962	P	93.6	Very high	88.8	Confident	29 Å²	29	57.2 Å²	57.2	19%	0.188	28%	0.282	C	S	.	.			trans	-54.9	145	165.3	-21.2	32	0	0	0	111	I803 V874 H964 Y965	I803-P962 HydrophobicContact CB-CG 4.46Å; I803-P962 HydrophobicContact CG2-CG 4.42Å; V874-P962 HydrophobicContact CG1-CG 3.98Å; P962-H964 PolarHBondContact O-N 3.38Å; P962-Y965 HydrophobicContact CB-CD2 4Å; P962-Y965 HydrophobicContact CG-CD2 4.33Å; P962-Y965 PolarHBondContact O-N 3.35Å
963	R	91	Very high	88.5	Confident	208 Å²	208	57 Å²	57	79%	0.785	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-54	-47.6	-170.8	-174.5	-179.7	176.4	-178	-1.5	113	Y965 R966	R963-Y965 PolarHBondContact O-N 3.04Å; R963-R966 PolarHBondContact O-N 2.92Å
964	H	93.1	Very high	87.5	Confident	80 Å²	80	65.7 Å²	65.7	37%	0.37	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-69.4	-12.3	-179.1	-67	-67.3	0	0	0	114.1	L908 R933 P962	L908-H964 HydrophobicContact CD1-CB 3.98Å; L908-H964 HydrophobicContact CD2-CB 3.89Å; R933-H964 VanDerWaalsContact CZ-O 3.26Å; R933-H964 PolarHBondContact NH1-O 3Å; R933-H964 PolarHBondContact NH2-O 2.92Å; P962-H964 PolarHBondContact O-N 3.38Å
965	Y	94.9	Very high	86.4	Confident	1 Å²	1	64 Å²	64	0%	0.004	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-97.3	7.6	178.6	-77.6	-96.1	0	0	0	113.5	L718 I803 V874 W878 M904 S905 L908 P962 R963	L718-Y965 HydrophobicContact CD2-CE1 4.43Å; I803-Y965 HydrophobicContact CD1-CD1 3.53Å; I803-Y965 HydrophobicContact CD1-CE1 4.14Å; I803-Y965 HydrophobicContact CD1-CG 4.09Å; V874-Y965 HydrophobicContact CB-CE2 4.01Å; V874-Y965 HydrophobicContact CG1-CD2 4.43Å; V874-Y965 HydrophobicContact CG1-CE2 3.84Å; V874-Y965 HydrophobicContact CG2-CE2 4.28Å; W878-Y965 AromaticContact CZ2-CE2 3.88Å; W878-Y965 HydrophobicContact CZ2-CE2 3.88Å; W878-Y965 AromaticContact NE1-CE2 3.77Å; W878-Y965 AromaticContact NE1-CZ 3.78Å; W878-Y965 PolarHBondContact NE1-OH 2.97Å; M904-Y965 HydrophobicContact CB-CD1 3.97Å; M904-Y965 VanDerWaalsContact CG-O 3.27Å; M904-Y965 WeakPolarHBondContact CG-O 3.29Å; S905-Y965 WeakPolarHBondContact OG-CE1 3.45Å; S905-Y965 PolarHBondContact OG-OH 3.32Å; L908-Y965 HydrophobicContact CD2-CD2 3.99Å; L908-Y965 HydrophobicContact CD2-CE1 4.43Å; L908-Y965 HydrophobicContact CD2-CE2 3.53Å; P962-Y965 HydrophobicContact CB-CD2 4Å; P962-Y965 HydrophobicContact CG-CD2 4.33Å; P962-Y965 PolarHBondContact O-N 3.35Å; R963-Y965 PolarHBondContact O-N 3.04Å
966	R	93.8	Very high	84.6	Confident	104 Å²	104	70.1 Å²	70.1	39%	0.392	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-88.2	133.2	178.9	-63.1	178.6	-172	172.8	0.7	110.9	R933 L958 K959 F961 R963	R933-R966 PolarHBondContact NH1-O 3.28Å; L958-R966 PolarHBondContact O-NE 2.81Å; K959-R966 PolarHBondContact O-NH2 3.41Å; F961-R966 HydrophobicContact CB-CG 4.03Å; F961-R966 PolarHBondContact O-NE 2.91Å; F961-R966 VanDerWaalsContact O-NE 3.13Å; F961-R966 PolarHBondContact O-NH2 3.05Å; R963-R966 PolarHBondContact O-N 2.92Å
967	P	92.5	Very high	82.6	Confident	8 Å²	8	68.7 Å²	68.7	5%	0.052	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-71	154.3	172.7	32.2	-36.7	0	0	0	110.9	M904 Y951 F953 L958 Y972	M904-P967 HydrophobicContact CE-CB 4.1Å; M904-P967 HydrophobicContact SD-CB 3.78Å; M904-P967 HydrophobicContact SD-CG 4.38Å; Y951-P967 HydrophobicContact CD2-CB 3.84Å; Y951-P967 HydrophobicContact CE2-CB 4.29Å; F953-P967 HydrophobicContact CD2-CG 3.89Å; F953-P967 HydrophobicContact CE2-CG 4.3Å; L958-P967 HydrophobicContact CD1-CG 3.91Å; L958-P967 HydrophobicContact CD2-CG 4.15Å; P967-Y972 HydrophobicContact CB-CD1 4.2Å; P967-Y972 HydrophobicContact CG-CD1 3.57Å; P967-Y972 HydrophobicContact CG-CE1 4.29Å; P967-Y972 HydrophobicContact CG-CG 4.03Å
968	P	90.6	Very high	82.4	Confident	10 Å²	10	69.1 Å²	69.1	7%	0.065	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-66.2	151.7	174.7	24.4	-30.2	0	0	0	111.9	E930 R933 T971	E930-P968 HydrophobicContact CB-CB 4.23Å; E930-P968 HydrophobicContact CB-CG 4.4Å; E930-P968 HydrophobicContact CG-CB 4.11Å; R933-P968 HydrophobicContact CB-CG 4.09Å; P968-T971 HydrophobicContact CB-CG2 4.5Å; P968-T971 HydrophobicContact CG-CG2 3.76Å; P968-T971 WeakPolarHBondContact O-CB 3.45Å; P968-T971 PolarHBondContact O-N 3.46Å; P968-T971 PolarHBondContact O-OG1 3.31Å
969	E	84.8	Confident	82.1	Confident	131 Å²	131	72.2 Å²	72.2	61%	0.612	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	144.6	179.7	-65.4	-167.4	170.5	0	0	112.5	R125 T971	R125-E969 PolarHBondContact NH1-O 2.88Å; E969-T971 PolarHBondContact O-N 3.05Å
970	G	83.1	Confident	81.8	Confident	24 Å²	24	67.4 Å²	67.4	25%	0.247	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-15.7	-174.4	0	0	0	0	0	114.7
971	T	86.2	Confident	81.4	Confident	8 Å²	8	69.8 Å²	69.8	5%	0.049	33%	0.334	C	S	.	.	S	Bend	trans	-91.7	-7.9	-178.6	70.8	0	0	0	0	114.1	R939 K950 Y951 P968 E969	R939-T971 PolarHBondContact NH1-O 3.26Å; K950-T971 CarbonylContact C-O 3.51Å; K950-T971 WeakPolarHBondContact CA-O 3.43Å; Y951-T971 WeakPolarHBondContact CD2-O 3.5Å; Y951-T971 PolarHBondContact N-O 3.24Å; P968-T971 HydrophobicContact CB-CG2 4.5Å; P968-T971 HydrophobicContact CG-CG2 3.76Å; P968-T971 WeakPolarHBondContact O-CB 3.45Å; P968-T971 PolarHBondContact O-N 3.46Å; P968-T971 PolarHBondContact O-OG1 3.31Å; E969-T971 PolarHBondContact O-N 3.05Å
972	Y	87.4	Confident	80.7	Confident	44 Å²	44	73.9 Å²	73.9	17%	0.173	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-124.8	161.7	-179.4	63.7	-90.9	0	0	0	112.3	Y951 F953 L958 P967	Y951-Y972 CarbonylContact O-C 3.57Å; Y951-Y972 WeakPolarHBondContact O-CA 3.24Å; Y951-Y972 WeakPolarHBondContact O-CB 3.04Å; F953-Y972 WeakPolarHBondContact O-CD2 3.43Å; L958-Y972 HydrophobicContact CD1-CD1 3.92Å; L958-Y972 HydrophobicContact CD1-CD2 3.76Å; L958-Y972 HydrophobicContact CD1-CE1 3.72Å; L958-Y972 HydrophobicContact CD1-CE2 3.59Å; L958-Y972 HydrophobicContact CD1-CG 3.92Å; P967-Y972 HydrophobicContact CB-CD1 4.2Å; P967-Y972 HydrophobicContact CG-CD1 3.57Å; P967-Y972 HydrophobicContact CG-CE1 4.29Å; P967-Y972 HydrophobicContact CG-CG 4.03Å
973	G	82.6	Confident	79.8	Confident	18 Å²	18	76.9 Å²	76.9	19%	0.186	36%	0.364	C	S	.	.			trans	176.4	179.7	175	0	0	0	0	0	113.4	Y951 F953 V975	Y951-G973 PolarHBondContact O-N 2.79Å; F953-G973 CarbonylContact O-C 3.6Å; F953-G973 PolarHBondContact O-N 3.11Å; G973-V975 PolarHBondContact O-N 3.42Å; G973-V975 VanDerWaalsContact O-N 3.11Å
974	K	68	Low	79	Confident	198 Å²	198	67.5 Å²	67.5	86%	0.861	33%	0.334	S	S	*	.			trans	-67.3	109.1	170.1	-73	-173.3	179.3	-178.4	0	108.7
975	V	61	Low	78	Confident	30 Å²	30	66.5 Å²	66.5	18%	0.182	33%	0.332	C	S	.	.			trans	-122.6	131.3	169.9	-170.9	0	0	0	0	105.3	V946 K950 G973 T977	V946-V975 HydrophobicContact CB-CG1 4.23Å; V946-V975 HydrophobicContact CG2-CG1 3.87Å; K950-V975 HydrophobicContact CB-CG2 3.75Å; G973-V975 PolarHBondContact O-N 3.42Å; G973-V975 VanDerWaalsContact O-N 3.11Å; V975-T977 PolarHBondContact O-N 3.43Å
976	E	46.6	Very low	76.5	Confident	195 Å²	195	72 Å²	72	91%	0.911	36%	0.359	S	S	*	.			trans	-63.4	122.4	172.1	-68.2	-178.3	169.2	0	0	108.2
977	T	42.1	Very low	75	Confident	94 Å²	94	69.1 Å²	69.1	58%	0.577	36%	0.356	S	S	*	.			trans	-124.1	0	-172.9	55.1	0	0	0	0	114	K899 V946 A952 V975	K899-T977 VanDerWaalsContact NZ-CG2 3.27Å; V946-T977 HydrophobicContact CG1-CG2 4.32Å; A952-T977 HydrophobicContact CB-CG2 3.28Å; V975-T977 PolarHBondContact O-N 3.43Å

Retrieved 977 of 977 residues in 230.2 ms (Link to these results)

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