A0A077ZDF6_TRITR Loading...

Homeobox protein MSH-B

AlphaFold DB , UniProt , Accession A0A077ZDF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 967 aa.

						>A0A077ZDF6_TRITR|A0A077ZDF6
MGERTTENDVSCFERSIENHPAKNLIALKTHLLCVDKSIREATATAEIIKVLRKELEQKDKQIAFLEEKLLVLKHAEQKNQKDAADLRPFALEQSAQIAQASDKIVQLQMSEQRWRTISEHYKEIMDSQRLETVELRTKYETLLRNEASLQAKYEMLEAQLIEYKSNSRIKNADHQMARPDGKEFWHQAVTCIKNEAASLGKNFLPLKAAEKSSTDKSSLSSVRQEHPGGAVVEHVNIRREETPKRPDNFRTNKSEPDIAETITKNGKDQLHSNELESARKRLNSVAAMIVKKARVEMALPPFLPPIGQQVKRKSLPSEQAKKIGNPEPKENIRIGCLMQILPPSDKAKISANVSSVQAETSSKKKKEKKNVGLKQCCIPPKFDKTKTSDIPASVRNSLAVRSSVQLIPIESVGKRGKWLKDSAFHEKQAPVGKLVNGYDGSQPLGPNANILATEALATVSAIGTAHLHTNAICNLEKRRPFNKDVDIIRSEKTIEQKDASHSDLIDMDARLIICFDDTVENAAQQRNNNAETFDGVIKFPGSFPLIDHCQMPLPSSIVPVVGSVTVERYLLSLFETSAFLTPALACKRLHSLGKALTPQTLTNSIITVLLSRGFHTANLCRMARVVQFEPIRVKGERCIVALLEQLFNLRPLAWRSAVKNLLVKQLLLRLRHIHDSLTATQMETLCRFYVLFAEMIKSTSAVCHLIEGAAMLAVEEEVELAMSVLISWPKIFKEIACDTKKEQPFARIVLALLVKSTKAVPQSVMERLIFKFCGEKIEVPMLEYQQLFTNLSDCLLSSGKVEFSTVTGDVRLTKKWARKLCMLETLFKLSNELNVVSAVRDNFYTNIITWPGKSSQLSISDNRFRSFLVSLIALAQLADPTTAFCQLNLDRIVRKLEDILEGKGMYSENTVLRSCCAQLLVRLLPWYPKSCYRILKKECSAATADAQWRRLFEMAKHVYVDGIMPK
					

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(Predicted Aligned Error values between residue pairs)

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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	42	Very low	42.7	Very low	251 Å²	251	138.1 Å²	138.1	100%	1.236	75%	0.751	S	S	*	*				0	119.1	0	-52.2	-175.3	-68.6	0	0	106.2
2	G	39.4	Very low	42.7	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	74%	0.744	S	S	*	*			cis	168.7	150.6	-3.2	0	0	0	0	0	107
3	E	40.3	Very low	42.3	Very low	145 Å²	145	137.2 Å²	137.2	68%	0.678	74%	0.742	S	S	*	*			cis	-137.3	169.4	-2.8	-64.5	-168	80.6	0	0	109.1
4	R	43.2	Very low	42.1	Very low	212 Å²	212	136.7 Å²	136.7	80%	0.8	73%	0.733	S	S	*	*				42.7	144.9	107.2	-54.5	174.1	178	147.6	1.4	115.8
5	T	43.1	Very low	42	Very low	114 Å²	114	141.2 Å²	141.2	70%	0.699	74%	0.736	S	S	*	*			cis	-141.2	144.9	20.6	0.8	0	0	0	0	109.1
6	T	45.2	Very low	42	Very low	107 Å²	107	138.3 Å²	138.3	66%	0.656	73%	0.731	S	S	*	*				51.1	147.9	106.1	72.9	0	0	0	0	116
7	E	42.2	Very low	41.9	Very low	149 Å²	149	137.8 Å²	137.8	70%	0.696	73%	0.727	S	S	*	*			cis	-153.5	148.5	30	-129.9	127.4	-99.8	0	0	111.6
8	N	45.6	Very low	42	Very low	127 Å²	127	138.6 Å²	138.6	68%	0.679	73%	0.726	S	S	*	*			trans	54.2	150.3	135.2	-68	36.1	0	0	0	121.9
9	D	42.3	Very low	42.3	Very low	124 Å²	124	136.7 Å²	136.7	66%	0.663	72%	0.717	S	S	*	*			cis	-158.2	163.2	4.2	-125.4	-27.4	0	0	0	114.4
10	V	42.6	Very low	42.7	Very low	124 Å²	124	136.2 Å²	136.2	75%	0.752	71%	0.71	S	S	*	*			trans	56.6	138.5	145.1	165.1	0	0	0	0	121.2
11	S	43.3	Very low	43.1	Very low	94 Å²	94	135 Å²	135	66%	0.657	71%	0.711	S	S	*	*			cis	-169.4	169.6	-25.4	71.1	0	0	0	0	110.9
12	C	43.5	Very low	43.7	Very low	99 Å²	99	125.4 Å²	125.4	67%	0.669	67%	0.671	S	S	*	*			trans	16.5	143.1	151.6	-46.2	0	0	0	0	120.8
13	F	37.5	Very low	44.4	Very low	165 Å²	165	127.1 Å²	127.1	72%	0.724	66%	0.659	S	S	*	*			cis	-144.1	143.1	34	-85.3	-104.3	0	0	0	109.6
14	E	39	Very low	45.1	Very low	131 Å²	131	124.7 Å²	124.7	61%	0.612	65%	0.65	S	S	*	*			cis	80.5	134.3	47.6	-152.5	-162.2	-105	0	0	114.2
15	R	41.3	Very low	46	Very low	204 Å²	204	120.3 Å²	120.3	77%	0.77	64%	0.642	S	S	*	*			trans	77.9	143.4	175.1	-54.9	172.6	-157.2	-174.5	5.8	116.3
16	S	42.2	Very low	47.2	Very low	95 Å²	95	120.1 Å²	120.1	66%	0.664	64%	0.636	S	S	*	*			cis	-166.7	139.2	-13.1	46.8	0	0	0	0	113.6
17	I	39.1	Very low	48.1	Very low	129 Å²	129	117.7 Å²	117.7	66%	0.662	63%	0.626	S	S	*	*			trans	71.7	164.8	136.9	-65.3	170	0	0	0	118.5
18	E	44.3	Very low	49.2	Very low	153 Å²	153	115.8 Å²	115.8	72%	0.715	62%	0.62	S	S	*	*			trans	43.7	101.6	167.4	-79.8	149.7	-135.4	0	0	120.1	K23	E18-K23 PolarHBondContact O-NZ 3.47Å
19	N	47.7	Very low	50.3	Low	103 Å²	103	116.9 Å²	116.9	55%	0.551	62%	0.619	S	S	*	*				-175	48.3	122.1	-107.7	-76.9	0	0	0	109.4	A22 K23	N19-A22 PolarHBondContact O-N 3.4Å; N19-K23 HydrophobicContact CB-CD 3.78Å; N19-K23 HydrophobicContact CB-CG 4Å; N19-K23 VanDerWaalsContact O-CB 3.31Å; N19-K23 WeakPolarHBondContact O-CB 3.13Å; N19-K23 WeakPolarHBondContact O-CG 3.41Å; N19-K23 PolarHBondContact O-N 3.28Å
20	H	51	Low	51.4	Low	126 Å²	126	114.6 Å²	114.6	58%	0.583	61%	0.61	S	S	*	*	H	α-helix	trans	-61.7	-45	-156.7	-96.6	-63.5	0	0	0	117.4	A22 K23 N24	H20-A22 PolarHBondContact O-N 3.44Å; H20-K23 PolarHBondContact O-N 3.3Å; H20-N24 PolarHBondContact ND1-OD1 3.49Å; H20-N24 WeakPolarHBondContact O-CB 3.42Å; H20-N24 PolarHBondContact O-N 2.8Å; H20-N24 PolarHBondContact O-OD1 2.63Å; H20-N24 VanDerWaalsContact O-OD1 3.05Å
21	P	51.2	Low	52.5	Low	110 Å²	110	114.9 Å²	114.9	71%	0.714	60%	0.602	S	S	*	*	H	α-helix	trans	-65.5	-40.4	-178.8	24.3	-32.6	0	0	0	112.2	L25	P21-L25 WeakPolarHBondContact O-CB 3.31Å; P21-L25 PolarHBondContact O-N 2.92Å
22	A	53	Low	53.6	Low	50 Å²	50	115.5 Å²	115.5	41%	0.413	60%	0.598	S	S	.	*	H	α-helix	trans	-70.9	-44.6	177.4	0	0	0	0	0	112.2	N19 H20 N24 L25 I26	N19-A22 PolarHBondContact O-N 3.4Å; H20-A22 PolarHBondContact O-N 3.44Å; A22-N24 VanDerWaalsContact C-N 3.33Å; A22-N24 PolarHBondContact O-N 2.82Å; A22-L25 PolarHBondContact O-N 3.05Å; A22-I26 WeakPolarHBondContact O-CB 3.33Å; A22-I26 WeakPolarHBondContact O-CG1 3.38Å; A22-I26 PolarHBondContact O-N 2.89Å
23	K	54	Low	54.5	Low	109 Å²	109	115.9 Å²	115.9	47%	0.474	59%	0.593	S	S	.	*	H	α-helix	trans	-61.7	-40.1	174.3	-75.3	171.8	174.6	163.2	0	111.3	E18 N19 H20 A27	E18-K23 PolarHBondContact O-NZ 3.47Å; N19-K23 HydrophobicContact CB-CD 3.78Å; N19-K23 HydrophobicContact CB-CG 4Å; N19-K23 VanDerWaalsContact O-CB 3.31Å; N19-K23 WeakPolarHBondContact O-CB 3.13Å; N19-K23 WeakPolarHBondContact O-CG 3.41Å; N19-K23 PolarHBondContact O-N 3.28Å; H20-K23 PolarHBondContact O-N 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.37Å; K23-A27 PolarHBondContact O-N 2.95Å
24	N	56	Low	55.7	Low	94 Å²	94	111 Å²	111	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-68	-39.4	176.1	-68.5	9.6	0	0	0	111.9	H20 A22 A27 L28	H20-N24 PolarHBondContact ND1-OD1 3.49Å; H20-N24 WeakPolarHBondContact O-CB 3.42Å; H20-N24 PolarHBondContact O-N 2.8Å; H20-N24 PolarHBondContact O-OD1 2.63Å; H20-N24 VanDerWaalsContact O-OD1 3.05Å; A22-N24 VanDerWaalsContact C-N 3.33Å; A22-N24 PolarHBondContact O-N 2.82Å; N24-A27 PolarHBondContact O-N 3.45Å; N24-L28 WeakPolarHBondContact O-CB 3.33Å; N24-L28 PolarHBondContact O-N 2.83Å
25	L	62.9	Low	57	Low	120 Å²	120	108 Å²	108	63%	0.628	57%	0.569	S	S	*	*	H	α-helix	trans	-67.2	-41.7	176.2	-164.6	80.8	0	0	0	111.9	P21 A22 L28 K29	P21-L25 WeakPolarHBondContact O-CB 3.31Å; P21-L25 PolarHBondContact O-N 2.92Å; A22-L25 PolarHBondContact O-N 3.05Å; L25-L28 PolarHBondContact O-N 3.46Å; L25-K29 WeakPolarHBondContact O-CB 3.49Å; L25-K29 PolarHBondContact O-N 3.46Å
26	I	66.4	Low	58	Low	110 Å²	110	101.6 Å²	101.6	56%	0.564	55%	0.55	S	S	*	*	H	α-helix	trans	-64.3	-46.6	173.9	-68.6	167.2	0	0	0	110	A22 L28 K29 T30	A22-I26 WeakPolarHBondContact O-CB 3.33Å; A22-I26 WeakPolarHBondContact O-CG1 3.38Å; A22-I26 PolarHBondContact O-N 2.89Å; I26-L28 PolarHBondContact O-N 3.31Å; I26-K29 PolarHBondContact O-N 2.77Å; I26-T30 WeakPolarHBondContact O-CB 3.18Å; I26-T30 PolarHBondContact O-N 2.84Å; I26-T30 PolarHBondContact O-OG1 3.43Å; I26-T30 VanDerWaalsContact O-OG1 3.1Å
27	A	64.1	Low	59.3	Low	56 Å²	56	102.7 Å²	102.7	46%	0.463	54%	0.543	S	S	.	.	H	α-helix	trans	-57.6	-46.6	175.9	0	0	0	0	0	111.4	K23 N24 K29 T30 H31	K23-A27 WeakPolarHBondContact O-CB 3.37Å; K23-A27 PolarHBondContact O-N 2.95Å; N24-A27 PolarHBondContact O-N 3.45Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.45Å; A27-T30 PolarHBondContact O-N 2.93Å; A27-H31 VanDerWaalsContact O-CB 3.24Å; A27-H31 WeakPolarHBondContact O-CB 3.29Å; A27-H31 PolarHBondContact O-N 2.82Å
28	L	66.3	Low	60.3	Low	108 Å²	108	99.9 Å²	99.9	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-61.8	-41.1	176.4	-166.6	78.5	0	0	0	111.9	N24 L25 I26 H31 L32	N24-L28 WeakPolarHBondContact O-CB 3.33Å; N24-L28 PolarHBondContact O-N 2.83Å; L25-L28 PolarHBondContact O-N 3.46Å; I26-L28 PolarHBondContact O-N 3.31Å; L28-H31 PolarHBondContact O-N 3.46Å; L28-L32 HydrophobicContact CG-CD1 4.33Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.48Å
29	K	68.1	Low	61.2	Low	151 Å²	151	97 Å²	97	66%	0.657	52%	0.523	S	S	*	.	H	α-helix	trans	-69.1	-38.9	179.3	-160.2	172.4	-171.6	179	0	112	L25 I26 A27 L33	L25-K29 WeakPolarHBondContact O-CB 3.49Å; L25-K29 PolarHBondContact O-N 3.46Å; I26-K29 PolarHBondContact O-N 2.77Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.45Å; K29-L33 WeakPolarHBondContact O-CB 3.32Å; K29-L33 WeakPolarHBondContact O-CG 3.16Å; K29-L33 PolarHBondContact O-N 3.18Å
30	T	66.8	Low	61.9	Low	75 Å²	75	99.4 Å²	99.4	46%	0.46	52%	0.524	S	S	.	.	H	α-helix	trans	-65.9	-41.9	170.1	-58.8	0	0	0	0	110.9	I26 A27 L32 L33 C34	I26-T30 WeakPolarHBondContact O-CB 3.18Å; I26-T30 PolarHBondContact O-N 2.84Å; I26-T30 PolarHBondContact O-OG1 3.43Å; I26-T30 VanDerWaalsContact O-OG1 3.1Å; A27-T30 PolarHBondContact O-N 2.93Å; T30-L32 VanDerWaalsContact C-N 3.35Å; T30-L32 PolarHBondContact O-N 3.26Å; T30-L33 CarbonylContact O-C 3.57Å; T30-L33 PolarHBondContact O-N 3.38Å; T30-C34 WeakPolarHBondContact O-CB 3.24Å; T30-C34 PolarHBondContact O-N 3.32Å; T30-C34 PolarHBondContact O-SG 2.86Å; T30-C34 VanDerWaalsContact O-SG 3.32Å
31	H	65.7	Low	62.5	Low	130 Å²	130	97.4 Å²	97.4	60%	0.602	52%	0.515	S	S	*	.	H	α-helix	trans	-67	-35.7	179.3	-152.2	-35.2	0	0	0	112	A27 L28 C34 V35	A27-H31 VanDerWaalsContact O-CB 3.24Å; A27-H31 WeakPolarHBondContact O-CB 3.29Å; A27-H31 PolarHBondContact O-N 2.82Å; L28-H31 PolarHBondContact O-N 3.46Å; H31-C34 PolarHBondContact O-N 2.76Å; H31-V35 WeakPolarHBondContact O-CB 3.4Å; H31-V35 VanDerWaalsContact O-CG2 3.29Å; H31-V35 WeakPolarHBondContact O-CG2 3.49Å; H31-V35 PolarHBondContact O-N 2.98Å
32	L	64.9	Low	62.8	Low	107 Å²	107	95 Å²	95	56%	0.56	50%	0.504	S	S	*	.	H	α-helix	trans	-66.9	-41.9	170.1	-78	166	0	0	0	111.9	L28 T30 C34 V35 D36	L28-L32 HydrophobicContact CG-CD1 4.33Å; L28-L32 WeakPolarHBondContact O-CB 3.46Å; L28-L32 WeakPolarHBondContact O-CG 3.26Å; L28-L32 PolarHBondContact O-N 3.48Å; T30-L32 VanDerWaalsContact C-N 3.35Å; T30-L32 PolarHBondContact O-N 3.26Å; L32-C34 VanDerWaalsContact C-N 3.33Å; L32-V35 PolarHBondContact O-N 3.5Å; L32-D36 VanDerWaalsContact O-CB 3.3Å; L32-D36 WeakPolarHBondContact O-CB 3.34Å; L32-D36 PolarHBondContact O-N 2.81Å
33	L	62	Low	63	Low	107 Å²	107	96.5 Å²	96.5	56%	0.56	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-35.7	173.4	-76.1	167.1	0	0	0	112.3	K29 T30 K37	K29-L33 WeakPolarHBondContact O-CB 3.32Å; K29-L33 WeakPolarHBondContact O-CG 3.16Å; K29-L33 PolarHBondContact O-N 3.18Å; T30-L33 CarbonylContact O-C 3.57Å; T30-L33 PolarHBondContact O-N 3.38Å; L33-K37 WeakPolarHBondContact O-CB 3.45Å; L33-K37 PolarHBondContact O-N 3.09Å
34	C	63.1	Low	63	Low	64 Å²	64	93.7 Å²	93.7	43%	0.432	51%	0.506	S	S	.	.	H	α-helix	trans	-67	-44.6	171.8	-72.2	0	0	0	0	111.5	T30 H31 L32 K37 S38	T30-C34 WeakPolarHBondContact O-CB 3.24Å; T30-C34 PolarHBondContact O-N 3.32Å; T30-C34 PolarHBondContact O-SG 2.86Å; T30-C34 VanDerWaalsContact O-SG 3.32Å; H31-C34 PolarHBondContact O-N 2.76Å; L32-C34 VanDerWaalsContact C-N 3.33Å; C34-K37 PolarHBondContact O-N 3.1Å; C34-S38 WeakPolarHBondContact O-CB 3.3Å; C34-S38 PolarHBondContact O-N 2.78Å; C34-S38 PolarHBondContact O-OG 2.65Å; C34-S38 VanDerWaalsContact O-OG 3.12Å
35	V	66	Low	62.6	Low	67 Å²	67	92.7 Å²	92.7	41%	0.406	50%	0.503	S	S	.	.	H	α-helix	trans	-61.9	-43.6	174.7	165.6	0	0	0	0	111.1	H31 L32 S38 I39	H31-V35 WeakPolarHBondContact O-CB 3.4Å; H31-V35 VanDerWaalsContact O-CG2 3.29Å; H31-V35 WeakPolarHBondContact O-CG2 3.49Å; H31-V35 PolarHBondContact O-N 2.98Å; L32-V35 PolarHBondContact O-N 3.5Å; V35-S38 CarbonylContact O-C 3.56Å; V35-S38 PolarHBondContact O-N 2.8Å; V35-I39 HydrophobicContact CG1-CD1 3.76Å; V35-I39 HydrophobicContact CG1-CG1 4.39Å; V35-I39 WeakPolarHBondContact O-CB 3.3Å; V35-I39 VanDerWaalsContact O-CG1 3.26Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 2.98Å
36	D	64	Low	62.3	Low	70 Å²	70	89 Å²	89	37%	0.374	49%	0.49	S	S	.	.	H	α-helix	trans	-70.2	-32.5	178.9	-168.6	75.6	0	0	0	112.5	L32 R40	L32-D36 VanDerWaalsContact O-CB 3.3Å; L32-D36 WeakPolarHBondContact O-CB 3.34Å; L32-D36 PolarHBondContact O-N 2.81Å; D36-R40 WeakPolarHBondContact O-CB 3.37Å; D36-R40 WeakPolarHBondContact O-CG 3.48Å; D36-R40 PolarHBondContact O-N 3.22Å; D36-R40 PolarHBondContact O-NE 3.35Å; D36-R40 IonicContact OD2-CZ 2.69Å; D36-R40 IonicContact OD2-NE 2.65Å; D36-R40 PolarHBondContact OD2-NE 2.99Å; D36-R40 IonicContact OD2-NH2 3.09Å; D36-R40 PolarHBondContact OD2-NH2 3.12Å
37	K	68.2	Low	62	Low	118 Å²	118	88.6 Å²	88.6	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-65.1	-46.5	167.7	-177.3	173.5	-179	-74	0	111.1	L33 C34 I39 R40 E41	L33-K37 WeakPolarHBondContact O-CB 3.45Å; L33-K37 PolarHBondContact O-N 3.09Å; C34-K37 PolarHBondContact O-N 3.1Å; K37-I39 PolarHBondContact O-N 2.88Å; K37-R40 PolarHBondContact O-N 2.83Å; K37-E41 WeakPolarHBondContact CE-OE1 3.48Å; K37-E41 IonicContact NZ-OE1 3.06Å; K37-E41 PolarHBondContact NZ-OE1 3.48Å; K37-E41 IonicContact NZ-OE2 3.15Å; K37-E41 WeakPolarHBondContact O-CB 3.32Å; K37-E41 VanDerWaalsContact O-CG 3.28Å; K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.32Å
38	S	59.7	Low	61.7	Low	69 Å²	69	90.7 Å²	90.7	48%	0.483	49%	0.488	S	S	.	.	H	α-helix	trans	-68.9	-29.5	177.7	-64.8	0	0	0	0	113.4	C34 V35 A42	C34-S38 WeakPolarHBondContact O-CB 3.3Å; C34-S38 PolarHBondContact O-N 2.78Å; C34-S38 PolarHBondContact O-OG 2.65Å; C34-S38 VanDerWaalsContact O-OG 3.12Å; V35-S38 CarbonylContact O-C 3.56Å; V35-S38 PolarHBondContact O-N 2.8Å; S38-A42 WeakPolarHBondContact O-CB 3.2Å; S38-A42 PolarHBondContact O-N 3.19Å
39	I	64	Low	61.4	Low	93 Å²	93	89.4 Å²	89.4	48%	0.477	48%	0.481	S	S	.	.	H	α-helix	trans	-67.4	-46.6	169.1	-72.9	166.2	0	0	0	109.6	V35 K37 E41 A42 T43	V35-I39 HydrophobicContact CG1-CD1 3.76Å; V35-I39 HydrophobicContact CG1-CG1 4.39Å; V35-I39 WeakPolarHBondContact O-CB 3.3Å; V35-I39 VanDerWaalsContact O-CG1 3.26Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 2.98Å; K37-I39 PolarHBondContact O-N 2.88Å; I39-E41 PolarHBondContact O-N 3.25Å; I39-A42 PolarHBondContact O-N 2.87Å; I39-T43 PolarHBondContact O-N 2.8Å; I39-T43 PolarHBondContact O-OG1 2.84Å
40	R	62.4	Low	61.4	Low	153 Å²	153	87.6 Å²	87.6	58%	0.577	47%	0.473	S	S	*	.	H	α-helix	trans	-60.5	-44.5	175.4	-78.1	-174.2	-98.3	166.2	-9	111.9	D36 K37 T43 A44	D36-R40 WeakPolarHBondContact O-CB 3.37Å; D36-R40 WeakPolarHBondContact O-CG 3.48Å; D36-R40 PolarHBondContact O-N 3.22Å; D36-R40 PolarHBondContact O-NE 3.35Å; D36-R40 IonicContact OD2-CZ 2.69Å; D36-R40 IonicContact OD2-NE 2.65Å; D36-R40 PolarHBondContact OD2-NE 2.99Å; D36-R40 IonicContact OD2-NH2 3.09Å; D36-R40 PolarHBondContact OD2-NH2 3.12Å; K37-R40 PolarHBondContact O-N 2.83Å; R40-T43 WeakPolarHBondContact CA-OG1 3.41Å; R40-T43 PolarHBondContact O-N 2.79Å; R40-T43 PolarHBondContact O-OG1 3.42Å; R40-A44 WeakPolarHBondContact O-CB 3.43Å; R40-A44 PolarHBondContact O-N 3.21Å
41	E	64.4	Low	61.2	Low	84 Å²	84	88 Å²	88	39%	0.393	48%	0.475	S	S	.	.	H	α-helix	trans	-62.8	-41.4	173.8	-72.8	165.4	164.4	0	0	112.3	K37 I39 A44 T45	K37-E41 WeakPolarHBondContact CE-OE1 3.48Å; K37-E41 IonicContact NZ-OE1 3.06Å; K37-E41 PolarHBondContact NZ-OE1 3.48Å; K37-E41 IonicContact NZ-OE2 3.15Å; K37-E41 WeakPolarHBondContact O-CB 3.32Å; K37-E41 VanDerWaalsContact O-CG 3.28Å; K37-E41 WeakPolarHBondContact O-CG 3.33Å; K37-E41 PolarHBondContact O-N 3.32Å; I39-E41 PolarHBondContact O-N 3.25Å; E41-A44 PolarHBondContact O-N 2.87Å; E41-T45 WeakPolarHBondContact O-CB 3.46Å; E41-T45 PolarHBondContact O-N 2.82Å; E41-T45 PolarHBondContact O-OG1 3.34Å
42	A	56.6	Low	60.8	Low	59 Å²	59	86.3 Å²	86.3	49%	0.488	47%	0.47	S	S	.	.	H	α-helix	trans	-65	-38.9	174.4	0	0	0	0	0	112.1	S38 I39 T45 A46	S38-A42 WeakPolarHBondContact O-CB 3.2Å; S38-A42 PolarHBondContact O-N 3.19Å; I39-A42 PolarHBondContact O-N 2.87Å; A42-T45 PolarHBondContact O-N 3.47Å; A42-A46 VanDerWaalsContact O-CB 3.3Å; A42-A46 WeakPolarHBondContact O-CB 3.35Å; A42-A46 PolarHBondContact O-N 2.86Å
43	T	56.9	Low	60.9	Low	83 Å²	83	89.4 Å²	89.4	51%	0.509	47%	0.474	S	S	.	.	H	α-helix	trans	-69	-37.6	173.5	54.2	0	0	0	0	112.6	I39 R40 A46 E47	I39-T43 PolarHBondContact O-N 2.8Å; I39-T43 PolarHBondContact O-OG1 2.84Å; R40-T43 WeakPolarHBondContact CA-OG1 3.41Å; R40-T43 PolarHBondContact O-N 2.79Å; R40-T43 PolarHBondContact O-OG1 3.42Å; T43-A46 PolarHBondContact O-N 3.3Å; T43-E47 PolarHBondContact O-N 3.3Å
44	A	53.7	Low	61.4	Low	49 Å²	49	91.5 Å²	91.5	41%	0.405	48%	0.479	S	S	.	.	H	α-helix	trans	-63.9	-45.4	173	0	0	0	0	0	111	R40 E41 A46 E47 I48	R40-A44 WeakPolarHBondContact O-CB 3.43Å; R40-A44 PolarHBondContact O-N 3.21Å; E41-A44 PolarHBondContact O-N 2.87Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 2.95Å; A44-E47 PolarHBondContact O-N 3.27Å; A44-I48 WeakPolarHBondContact O-CB 3.28Å; A44-I48 VanDerWaalsContact O-CG1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.4Å; A44-I48 PolarHBondContact O-N 2.82Å
45	T	49.3	Very low	61.6	Low	73 Å²	73	93.6 Å²	93.6	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-60.7	-38.4	173.1	-57.9	0	0	0	0	111.5	E41 A42 I48 I49	E41-T45 WeakPolarHBondContact O-CB 3.46Å; E41-T45 PolarHBondContact O-N 2.82Å; E41-T45 PolarHBondContact O-OG1 3.34Å; A42-T45 PolarHBondContact O-N 3.47Å; T45-I48 PolarHBondContact O-N 2.97Å; T45-I49 HydrophobicContact CG2-CD1 3.9Å; T45-I49 HydrophobicContact CG2-CG1 4.47Å; T45-I49 WeakPolarHBondContact O-CB 3.44Å; T45-I49 VanDerWaalsContact O-CG1 3.23Å; T45-I49 WeakPolarHBondContact O-CG1 3.49Å; T45-I49 PolarHBondContact O-N 3.12Å
46	A	55.6	Low	61.7	Low	42 Å²	42	95.5 Å²	95.5	35%	0.347	49%	0.489	S	S	.	.	H	α-helix	trans	-67.5	-39.4	176.6	0	0	0	0	0	112.9	A42 T43 A44 I49 K50	A42-A46 VanDerWaalsContact O-CB 3.3Å; A42-A46 WeakPolarHBondContact O-CB 3.35Å; A42-A46 PolarHBondContact O-N 2.86Å; T43-A46 PolarHBondContact O-N 3.3Å; A44-A46 VanDerWaalsContact C-N 3.31Å; A44-A46 PolarHBondContact O-N 2.95Å; A46-I49 PolarHBondContact O-N 3.38Å; A46-K50 WeakPolarHBondContact O-CG 3.47Å; A46-K50 PolarHBondContact O-N 3.43Å
47	E	60.3	Low	62.2	Low	103 Å²	103	97.1 Å²	97.1	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-68.8	-39.3	171.8	-68.8	-53.5	136	0	0	112	T43 A44 I49 K50 V51	T43-E47 PolarHBondContact O-N 3.3Å; A44-E47 PolarHBondContact O-N 3.27Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 PolarHBondContact O-N 2.89Å; E47-K50 WeakPolarHBondContact O-CB 3.47Å; E47-K50 PolarHBondContact O-N 3.13Å; E47-K50 VanDerWaalsContact O-N 3.13Å; E47-K50 IonicContact OE1-NZ 2.63Å; E47-K50 PolarHBondContact OE1-NZ 3.04Å; E47-K50 WeakPolarHBondContact OE2-CD 3.48Å; E47-K50 IonicContact OE2-NZ 3.81Å; E47-V51 WeakPolarHBondContact O-CG2 3.25Å; E47-V51 PolarHBondContact O-N 3.43Å
48	I	57.2	Low	62.6	Low	100 Å²	100	97.1 Å²	97.1	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-59.2	-43.7	171.8	-70.3	163.6	0	0	0	110.4	A44 T45 K50 V51 L52	A44-I48 WeakPolarHBondContact O-CB 3.28Å; A44-I48 VanDerWaalsContact O-CG1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.4Å; A44-I48 PolarHBondContact O-N 2.82Å; T45-I48 PolarHBondContact O-N 2.97Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.45Å; I48-V51 PolarHBondContact O-N 3.05Å; I48-L52 HydrophobicContact CG2-CD1 3.78Å; I48-L52 HydrophobicContact CG2-CG 4.28Å; I48-L52 WeakPolarHBondContact O-CB 3.46Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 3.23Å
49	I	60.6	Low	63.1	Low	80 Å²	80	99.4 Å²	99.4	41%	0.41	50%	0.498	S	S	.	.	H	α-helix	trans	-63.8	-36.7	175.1	-72.2	165.6	0	0	0	111.6	T45 A46 E47 R53	T45-I49 HydrophobicContact CG2-CD1 3.9Å; T45-I49 HydrophobicContact CG2-CG1 4.47Å; T45-I49 WeakPolarHBondContact O-CB 3.44Å; T45-I49 VanDerWaalsContact O-CG1 3.23Å; T45-I49 WeakPolarHBondContact O-CG1 3.49Å; T45-I49 PolarHBondContact O-N 3.12Å; A46-I49 PolarHBondContact O-N 3.38Å; E47-I49 VanDerWaalsContact C-N 3.32Å; E47-I49 PolarHBondContact O-N 2.89Å; I49-R53 WeakPolarHBondContact O-CB 3.48Å; I49-R53 WeakPolarHBondContact O-CG 3.17Å; I49-R53 PolarHBondContact O-N 2.9Å
50	K	66.9	Low	63.6	Low	114 Å²	114	99 Å²	99	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-65.6	-40.6	173	-73.9	169.5	-177	173.8	0	112.3	A46 E47 I48 K54	A46-K50 WeakPolarHBondContact O-CG 3.47Å; A46-K50 PolarHBondContact O-N 3.43Å; E47-K50 WeakPolarHBondContact O-CB 3.47Å; E47-K50 PolarHBondContact O-N 3.13Å; E47-K50 VanDerWaalsContact O-N 3.13Å; E47-K50 IonicContact OE1-NZ 2.63Å; E47-K50 PolarHBondContact OE1-NZ 3.04Å; E47-K50 WeakPolarHBondContact OE2-CD 3.48Å; E47-K50 IonicContact OE2-NZ 3.81Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.45Å; K50-K54 WeakPolarHBondContact O-CG 3.33Å; K50-K54 PolarHBondContact O-N 2.98Å; K50-K54 VanDerWaalsContact O-N 3.12Å
51	V	64.1	Low	64.4	Low	82 Å²	82	98 Å²	98	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-49.5	175.4	173	0	0	0	0	110.2	E47 I48 R53 K54 E55	E47-V51 WeakPolarHBondContact O-CG2 3.25Å; E47-V51 PolarHBondContact O-N 3.43Å; I48-V51 PolarHBondContact O-N 3.05Å; V51-R53 VanDerWaalsContact C-N 3.33Å; V51-R53 PolarHBondContact O-N 2.82Å; V51-K54 WeakPolarHBondContact O-CB 3.18Å; V51-K54 PolarHBondContact O-N 2.85Å; V51-E55 PolarHBondContact O-N 2.83Å
52	L	57.5	Low	64.7	Low	95 Å²	95	98 Å²	98	50%	0.497	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-37.6	177.8	-71.1	171.7	0	0	0	112.6	I48 E55 L56	I48-L52 HydrophobicContact CG2-CD1 3.78Å; I48-L52 HydrophobicContact CG2-CG 4.28Å; I48-L52 WeakPolarHBondContact O-CB 3.46Å; I48-L52 VanDerWaalsContact O-CG 3.31Å; I48-L52 WeakPolarHBondContact O-CG 3.43Å; I48-L52 PolarHBondContact O-N 3.23Å; L52-E55 PolarHBondContact O-N 2.81Å; L52-L56 VanDerWaalsContact O-CB 3.29Å; L52-L56 WeakPolarHBondContact O-CB 3.41Å; L52-L56 PolarHBondContact O-N 3.23Å
53	R	67.3	Low	65.4	Low	172 Å²	172	99.2 Å²	99.2	65%	0.649	49%	0.494	S	S	*	.	H	α-helix	trans	-63.7	-40.2	171.8	-78	-174.7	-171.5	-156	3.9	112.5	I49 V51 L56 E57	I49-R53 WeakPolarHBondContact O-CB 3.48Å; I49-R53 WeakPolarHBondContact O-CG 3.17Å; I49-R53 PolarHBondContact O-N 2.9Å; V51-R53 VanDerWaalsContact C-N 3.33Å; V51-R53 PolarHBondContact O-N 2.82Å; R53-L56 PolarHBondContact O-N 3.23Å; R53-E57 WeakPolarHBondContact O-CB 3.5Å; R53-E57 WeakPolarHBondContact O-CG 3.44Å; R53-E57 PolarHBondContact O-N 3.4Å
54	K	71.8	Confident	66.3	Low	151 Å²	151	97.9 Å²	97.9	66%	0.657	49%	0.491	S	S	*	.	H	α-helix	trans	-67.8	-40	176	-77.3	-178.5	174.2	-177.1	0	112.3	K50 V51 Q58	K50-K54 WeakPolarHBondContact O-CG 3.33Å; K50-K54 PolarHBondContact O-N 2.98Å; K50-K54 VanDerWaalsContact O-N 3.12Å; V51-K54 WeakPolarHBondContact O-CB 3.18Å; V51-K54 PolarHBondContact O-N 2.85Å; K54-Q58 WeakPolarHBondContact O-CB 3.23Å; K54-Q58 PolarHBondContact O-N 2.89Å
55	E	67.2	Low	67.5	Low	109 Å²	109	100.8 Å²	100.8	51%	0.509	50%	0.495	S	S	.	.	H	α-helix	trans	-64.8	-41.2	172.8	-71.5	-166.6	133.6	0	0	111.3	V51 L52 Q58 K59	V51-E55 PolarHBondContact O-N 2.83Å; L52-E55 PolarHBondContact O-N 2.81Å; E55-Q58 CarbonylContact O-C 3.59Å; E55-Q58 PolarHBondContact O-N 3.29Å; E55-K59 WeakPolarHBondContact O-CB 3.41Å; E55-K59 VanDerWaalsContact O-CG 3.25Å; E55-K59 WeakPolarHBondContact O-CG 3.31Å; E55-K59 PolarHBondContact O-N 3.2Å
56	L	67.8	Low	68.6	Low	106 Å²	106	102.5 Å²	102.5	56%	0.555	50%	0.501	S	S	*	.	H	α-helix	trans	-61.2	-51.8	175	-169.6	71.9	0	0	0	111.2	L52 R53 Q58 K59 D60	L52-L56 VanDerWaalsContact O-CB 3.29Å; L52-L56 WeakPolarHBondContact O-CB 3.41Å; L52-L56 PolarHBondContact O-N 3.23Å; R53-L56 PolarHBondContact O-N 3.23Å; L56-Q58 PolarHBondContact O-N 2.91Å; L56-K59 CarbonylContact O-C 3.55Å; L56-K59 WeakPolarHBondContact O-CA 3.41Å; L56-K59 WeakPolarHBondContact O-CB 3.29Å; L56-K59 PolarHBondContact O-N 2.97Å; L56-D60 VanDerWaalsContact O-CG 3.29Å; L56-D60 PolarHBondContact O-N 3.41Å
57	E	75.5	Confident	69.7	Low	104 Å²	104	106.6 Å²	106.6	49%	0.486	51%	0.513	S	S	.	.	H	α-helix	trans	-57.1	-34.2	174.6	-81.4	-173.3	-139.8	0	0	113.1	R53 K61	R53-E57 WeakPolarHBondContact O-CB 3.5Å; R53-E57 WeakPolarHBondContact O-CG 3.44Å; R53-E57 PolarHBondContact O-N 3.4Å; E57-K61 WeakPolarHBondContact O-CB 3.44Å; E57-K61 WeakPolarHBondContact O-CD 3.41Å; E57-K61 WeakPolarHBondContact O-CE 3.25Å; E57-K61 WeakPolarHBondContact O-CG 3.38Å; E57-K61 PolarHBondContact O-N 3.4Å; E57-K61 IonicContact OE2-NZ 2.75Å; E57-K61 PolarHBondContact OE2-NZ 3.5Å; E57-K61 VanDerWaalsContact OE2-NZ 3.09Å
58	Q	74.8	Confident	70.7	Confident	119 Å²	119	107.8 Å²	107.8	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-74.7	-33.4	176.1	-169.8	174.4	9.4	0	0	111.5	K54 E55 L56 Q62	K54-Q58 WeakPolarHBondContact O-CB 3.23Å; K54-Q58 PolarHBondContact O-N 2.89Å; E55-Q58 CarbonylContact O-C 3.59Å; E55-Q58 PolarHBondContact O-N 3.29Å; L56-Q58 PolarHBondContact O-N 2.91Å; Q58-Q62 WeakPolarHBondContact O-CG 3.48Å; Q58-Q62 PolarHBondContact O-N 3.25Å
59	K	71.3	Confident	71.5	Confident	116 Å²	116	108.2 Å²	108.2	50%	0.504	52%	0.517	S	S	.	.	H	α-helix	trans	-70.3	-42.7	173.6	-73.4	-73.2	162.2	-158.3	0	112	E55 L56 K61 Q62 I63	E55-K59 WeakPolarHBondContact O-CB 3.41Å; E55-K59 VanDerWaalsContact O-CG 3.25Å; E55-K59 WeakPolarHBondContact O-CG 3.31Å; E55-K59 PolarHBondContact O-N 3.2Å; L56-K59 CarbonylContact O-C 3.55Å; L56-K59 WeakPolarHBondContact O-CA 3.41Å; L56-K59 WeakPolarHBondContact O-CB 3.29Å; L56-K59 PolarHBondContact O-N 2.97Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 2.85Å; K59-Q62 CarbonylContact O-C 3.59Å; K59-Q62 WeakPolarHBondContact O-CA 3.44Å; K59-Q62 WeakPolarHBondContact O-CB 3.34Å; K59-Q62 PolarHBondContact O-N 3.26Å; K59-I63 WeakPolarHBondContact O-CG1 3.5Å; K59-I63 PolarHBondContact O-N 3.27Å
60	D	73.7	Confident	72.1	Confident	85 Å²	85	108.8 Å²	108.8	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-61.4	-40.7	175.5	-63.1	-24.3	0	0	0	111.1	L56 Q62 I63 A64	L56-D60 VanDerWaalsContact O-CG 3.29Å; L56-D60 PolarHBondContact O-N 3.41Å; D60-Q62 PolarHBondContact O-N 2.93Å; D60-I63 PolarHBondContact O-N 3.17Å; D60-A64 WeakPolarHBondContact O-CB 3.38Å; D60-A64 PolarHBondContact O-N 3.46Å
61	K	79.4	Confident	72.8	Confident	131 Å²	131	108.4 Å²	108.4	57%	0.57	52%	0.523	S	S	*	.	H	α-helix	trans	-64.4	-36.4	172.4	-70.5	161.4	-164.9	150	0	112.4	E57 K59 F65	E57-K61 WeakPolarHBondContact O-CB 3.44Å; E57-K61 WeakPolarHBondContact O-CD 3.41Å; E57-K61 WeakPolarHBondContact O-CE 3.25Å; E57-K61 WeakPolarHBondContact O-CG 3.38Å; E57-K61 PolarHBondContact O-N 3.4Å; E57-K61 IonicContact OE2-NZ 2.75Å; E57-K61 PolarHBondContact OE2-NZ 3.5Å; E57-K61 VanDerWaalsContact OE2-NZ 3.09Å; K59-K61 VanDerWaalsContact C-N 3.3Å; K59-K61 PolarHBondContact O-N 2.85Å; K61-F65 WeakPolarHBondContact O-CB 3.49Å; K61-F65 PolarHBondContact O-N 3.33Å
62	Q	72.1	Confident	73.3	Confident	84 Å²	84	109 Å²	109	39%	0.393	53%	0.526	S	S	.	.	H	α-helix	trans	-68.4	-39.6	172.8	-76.1	175.7	-5.2	0	0	112.2	Q58 K59 D60 L66	Q58-Q62 WeakPolarHBondContact O-CG 3.48Å; Q58-Q62 PolarHBondContact O-N 3.25Å; K59-Q62 CarbonylContact O-C 3.59Å; K59-Q62 WeakPolarHBondContact O-CA 3.44Å; K59-Q62 WeakPolarHBondContact O-CB 3.34Å; K59-Q62 PolarHBondContact O-N 3.26Å; D60-Q62 PolarHBondContact O-N 2.93Å; Q62-L66 VanDerWaalsContact O-CG 3.28Å; Q62-L66 WeakPolarHBondContact O-CG 3.41Å; Q62-L66 PolarHBondContact O-N 3.35Å
63	I	70.6	Confident	73.9	Confident	85 Å²	85	110.1 Å²	110.1	44%	0.436	53%	0.532	S	S	.	.	H	α-helix	trans	-64.7	-51.5	177.3	-69.7	163.9	0	0	0	109.9	K59 D60 F65 L66 E67	K59-I63 WeakPolarHBondContact O-CG1 3.5Å; K59-I63 PolarHBondContact O-N 3.27Å; D60-I63 PolarHBondContact O-N 3.17Å; I63-F65 VanDerWaalsContact C-N 3.28Å; I63-F65 PolarHBondContact O-N 2.74Å; I63-L66 CarbonylContact O-C 3.57Å; I63-L66 WeakPolarHBondContact O-CA 3.28Å; I63-L66 WeakPolarHBondContact O-CB 3.25Å; I63-L66 PolarHBondContact O-N 3.46Å; I63-E67 HydrophobicContact CG2-CG 4.26Å; I63-E67 WeakPolarHBondContact O-CG 3.45Å; I63-E67 PolarHBondContact O-N 3.23Å
64	A	75.9	Confident	74.3	Confident	55 Å²	55	108 Å²	108	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-57	-39.6	178.7	0	0	0	0	0	113	D60 E67 E68	D60-A64 WeakPolarHBondContact O-CB 3.38Å; D60-A64 PolarHBondContact O-N 3.46Å; A64-E67 PolarHBondContact O-N 3.03Å; A64-E68 WeakPolarHBondContact O-CB 3.48Å; A64-E68 PolarHBondContact O-N 3.02Å
65	F	77.7	Confident	74.5	Confident	110 Å²	110	106.7 Å²	106.7	48%	0.482	52%	0.524	S	S	.	.	H	α-helix	trans	-69.2	-32.9	175.1	178.1	-113.3	0	0	0	113.3	K61 I63 K69	K61-F65 WeakPolarHBondContact O-CB 3.49Å; K61-F65 PolarHBondContact O-N 3.33Å; I63-F65 VanDerWaalsContact C-N 3.28Å; I63-F65 PolarHBondContact O-N 2.74Å; F65-K69 HydrophobicContact CE1-CD 4.15Å; F65-K69 HydrophobicContact CZ-CD 4.25Å; F65-K69 WeakPolarHBondContact O-CG 3.32Å; F65-K69 PolarHBondContact O-N 3.03Å; F65-K69 VanDerWaalsContact O-N 3.17Å
66	L	73.5	Confident	74.5	Confident	109 Å²	109	103.7 Å²	103.7	57%	0.571	52%	0.518	S	S	*	.	H	α-helix	trans	-72	-39.2	172.9	-73.2	169.1	0	0	0	111.5	Q62 I63 K69 L70	Q62-L66 VanDerWaalsContact O-CG 3.28Å; Q62-L66 WeakPolarHBondContact O-CG 3.41Å; Q62-L66 PolarHBondContact O-N 3.35Å; I63-L66 CarbonylContact O-C 3.57Å; I63-L66 WeakPolarHBondContact O-CA 3.28Å; I63-L66 WeakPolarHBondContact O-CB 3.25Å; I63-L66 PolarHBondContact O-N 3.46Å; L66-K69 PolarHBondContact O-N 2.93Å; L66-L70 VanDerWaalsContact O-CB 3.25Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.2Å
67	E	78.4	Confident	74.6	Confident	128 Å²	128	103.7 Å²	103.7	60%	0.598	52%	0.515	S	S	*	.	H	α-helix	trans	-63.8	-45.1	174.7	-71	-176.7	145.4	0	0	111.7	I63 A64 K69 L70 L71	I63-E67 HydrophobicContact CG2-CG 4.26Å; I63-E67 WeakPolarHBondContact O-CG 3.45Å; I63-E67 PolarHBondContact O-N 3.23Å; A64-E67 PolarHBondContact O-N 3.03Å; E67-K69 PolarHBondContact O-N 3.15Å; E67-L70 PolarHBondContact O-N 2.95Å; E67-L70 VanDerWaalsContact O-N 3.17Å; E67-L71 WeakPolarHBondContact O-CB 3.45Å; E67-L71 PolarHBondContact O-N 2.96Å
68	E	80.7	Confident	74.4	Confident	129 Å²	129	105.1 Å²	105.1	60%	0.603	52%	0.521	S	S	*	.	H	α-helix	trans	-57.9	-47.9	173.9	-174.7	-179.5	-158.5	0	0	111.1	A64 L70 L71 V72	A64-E68 WeakPolarHBondContact O-CB 3.48Å; A64-E68 PolarHBondContact O-N 3.02Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.01Å; E68-L71 PolarHBondContact O-N 3.36Å; E68-V72 WeakPolarHBondContact O-CG2 3.49Å; E68-V72 PolarHBondContact O-N 2.87Å
69	K	75.4	Confident	74.2	Confident	108 Å²	108	105.7 Å²	105.7	47%	0.47	52%	0.522	S	S	.	.	H	α-helix	trans	-59.5	-41.8	174.2	-83.6	-176.8	171.4	178.9	0	112.8	F65 L66 E67 L71 V72 L73	F65-K69 HydrophobicContact CE1-CD 4.15Å; F65-K69 HydrophobicContact CZ-CD 4.25Å; F65-K69 WeakPolarHBondContact O-CG 3.32Å; F65-K69 PolarHBondContact O-N 3.03Å; F65-K69 VanDerWaalsContact O-N 3.17Å; L66-K69 PolarHBondContact O-N 2.93Å; E67-K69 PolarHBondContact O-N 3.15Å; K69-L71 VanDerWaalsContact C-N 3.34Å; K69-V72 PolarHBondContact O-N 3.45Å; K69-L73 WeakPolarHBondContact O-CB 3.45Å; K69-L73 VanDerWaalsContact O-CG 3.29Å; K69-L73 WeakPolarHBondContact O-CG 3.29Å; K69-L73 PolarHBondContact O-N 2.71Å
70	L	73.7	Confident	73.6	Confident	92 Å²	92	105.1 Å²	105.1	48%	0.482	53%	0.525	S	S	.	.	H	α-helix	trans	-70.1	-33.8	-178.5	-160.2	156.5	0	0	0	111	L66 E67 E68 L73 K74	L66-L70 VanDerWaalsContact O-CB 3.25Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 PolarHBondContact O-N 3.2Å; E67-L70 PolarHBondContact O-N 2.95Å; E67-L70 VanDerWaalsContact O-N 3.17Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.01Å; L70-L73 PolarHBondContact O-N 3.03Å; L70-K74 HydrophobicContact CD2-CD 3.82Å; L70-K74 VanDerWaalsContact CD2-CE 3.48Å; L70-K74 HydrophobicContact CD2-CG 4.22Å; L70-K74 WeakPolarHBondContact O-CB 3.42Å; L70-K74 WeakPolarHBondContact O-CG 3.39Å; L70-K74 PolarHBondContact O-N 2.61Å
71	L	79.6	Confident	73.1	Confident	107 Å²	107	106.7 Å²	106.7	56%	0.56	53%	0.529	S	S	*	.	H	α-helix	trans	-67.9	-44.5	172.9	-152.4	166.8	0	0	0	111	E67 E68 K69 L73 K74 H75	E67-L71 WeakPolarHBondContact O-CB 3.45Å; E67-L71 PolarHBondContact O-N 2.96Å; E68-L71 PolarHBondContact O-N 3.36Å; K69-L71 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3.05Å; L71-K74 PolarHBondContact O-N 2.81Å; L71-H75 PolarHBondContact O-N 2.98Å
72	V	75.2	Confident	72.3	Confident	94 Å²	94	108.1 Å²	108.1	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-59.9	-43.4	172.3	170.7	0	0	0	0	111.6	E68 K69 H75 A76	E68-V72 WeakPolarHBondContact O-CG2 3.49Å; E68-V72 PolarHBondContact O-N 2.87Å; K69-V72 PolarHBondContact O-N 3.45Å; V72-H75 PolarHBondContact O-N 2.81Å; V72-A76 PolarHBondContact O-N 3.04Å
73	L	69.8	Low	71.6	Confident	119 Å²	119	107.4 Å²	107.4	62%	0.623	53%	0.534	S	S	*	.	H	α-helix	trans	-64.2	-43.4	176.4	-75.2	168.6	0	0	0	112.1	K69 L70 L71 H75 A76 E77	K69-L73 WeakPolarHBondContact O-CB 3.45Å; K69-L73 VanDerWaalsContact O-CG 3.29Å; K69-L73 WeakPolarHBondContact O-CG 3.29Å; K69-L73 PolarHBondContact O-N 2.71Å; L70-L73 PolarHBondContact O-N 3.03Å; L71-L73 PolarHBondContact O-N 3.05Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.17Å; L73-A76 PolarHBondContact O-N 2.8Å; L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.04Å
74	K	76	Confident	70.7	Confident	126 Å²	126	106 Å²	106	55%	0.548	54%	0.535	S	S	.	.	H	α-helix	trans	-61.4	-37.5	173.4	-81.1	177.7	173.8	172.3	0	112.5	L70 L71 E77 Q78	L70-K74 HydrophobicContact CD2-CD 3.82Å; L70-K74 VanDerWaalsContact CD2-CE 3.48Å; L70-K74 HydrophobicContact CD2-CG 4.22Å; L70-K74 WeakPolarHBondContact O-CB 3.42Å; L70-K74 WeakPolarHBondContact O-CG 3.39Å; L70-K74 PolarHBondContact O-N 2.61Å; L71-K74 PolarHBondContact O-N 2.81Å; K74-E77 PolarHBondContact O-N 2.86Å; K74-Q78 WeakPolarHBondContact O-CB 3.46Å; K74-Q78 PolarHBondContact O-N 3.4Å
75	H	75.6	Confident	69.7	Low	124 Å²	124	106.3 Å²	106.3	57%	0.574	54%	0.538	S	S	*	.	H	α-helix	trans	-67.4	-38.5	174.7	-111.2	-49.5	0	0	0	112.5	L71 V72 L73 K79	L71-H75 PolarHBondContact O-N 2.98Å; V72-H75 PolarHBondContact O-N 2.81Å; L73-H75 VanDerWaalsContact C-N 3.31Å; L73-H75 PolarHBondContact O-N 3.17Å; H75-K79 WeakPolarHBondContact O-CB 3.49Å; H75-K79 PolarHBondContact O-N 3.42Å; H75-K79 VanDerWaalsContact O-N 3.15Å
76	A	68	Low	68.7	Low	46 Å²	46	107.7 Å²	107.7	38%	0.38	55%	0.551	S	S	.	*	H	α-helix	trans	-67.3	-39.1	172.9	0	0	0	0	0	111.9	V72 L73 K79 N80	V72-A76 PolarHBondContact O-N 3.04Å; L73-A76 PolarHBondContact O-N 2.8Å; A76-K79 PolarHBondContact O-N 2.87Å; A76-N80 WeakPolarHBondContact O-CB 3.42Å; A76-N80 VanDerWaalsContact O-CG 3.23Å; A76-N80 PolarHBondContact O-N 3.4Å; A76-N80 PolarHBondContact O-OD1 3.31Å
77	E	69.2	Low	67.7	Low	107 Å²	107	107 Å²	107	50%	0.5	55%	0.547	S	S	.	.	H	α-helix	trans	-67.3	-47.9	177.6	-167.8	-174.2	174.7	0	0	111.8	L73 K74 K79 N80 Q81	L73-E77 WeakPolarHBondContact O-CB 3.44Å; L73-E77 PolarHBondContact O-N 3.04Å; K74-E77 PolarHBondContact O-N 2.86Å; E77-K79 PolarHBondContact O-N 2.89Å; E77-N80 PolarHBondContact O-N 2.96Å; E77-N80 VanDerWaalsContact O-N 3.13Å; E77-Q81 HydrophobicContact CG-CG 4.41Å; E77-Q81 WeakPolarHBondContact O-CB 3.48Å; E77-Q81 WeakPolarHBondContact O-CG 3.45Å; E77-Q81 PolarHBondContact O-N 3.29Å; E77-Q81 PolarHBondContact OE1-NE2 2.95Å
78	Q	71.4	Confident	66.4	Low	133 Å²	133	110.8 Å²	110.8	62%	0.621	56%	0.556	S	S	*	*	H	α-helix	trans	-58.3	-36.1	173.9	-79.4	-170.3	-15.8	0	0	112.2	K74 K82	K74-Q78 WeakPolarHBondContact O-CB 3.46Å; K74-Q78 PolarHBondContact O-N 3.4Å; Q78-K82 WeakPolarHBondContact O-CB 3.36Å; Q78-K82 PolarHBondContact O-N 2.95Å; Q78-K82 VanDerWaalsContact O-N 3.16Å
79	K	70.4	Confident	65	Low	131 Å²	131	109.6 Å²	109.6	57%	0.57	56%	0.559	S	S	*	*	H	α-helix	trans	-66.6	-50	173.6	-169.1	-173.3	172.9	-167.4	0	111.2	H75 A76 E77 Q81 K82 D83	H75-K79 WeakPolarHBondContact O-CB 3.49Å; H75-K79 PolarHBondContact O-N 3.42Å; H75-K79 VanDerWaalsContact O-N 3.15Å; A76-K79 PolarHBondContact O-N 2.87Å; E77-K79 PolarHBondContact O-N 2.89Å; K79-Q81 VanDerWaalsContact C-N 3.31Å; K79-Q81 PolarHBondContact O-N 3.46Å; K79-K82 WeakPolarHBondContact O-CB 3.43Å; K79-K82 PolarHBondContact O-N 2.9Å; K79-D83 WeakPolarHBondContact CE-OD2 3.42Å; K79-D83 PolarHBondContact O-N 3.2Å
80	N	60.1	Low	63.9	Low	104 Å²	104	110.3 Å²	110.3	56%	0.556	56%	0.563	S	S	*	*	H	α-helix	trans	-60.1	-38	178	-71.8	-8.2	0	0	0	112.4	A76 E77 K82 A84	A76-N80 WeakPolarHBondContact O-CB 3.42Å; A76-N80 VanDerWaalsContact O-CG 3.23Å; A76-N80 PolarHBondContact O-N 3.4Å; A76-N80 PolarHBondContact O-OD1 3.31Å; E77-N80 PolarHBondContact O-N 2.96Å; E77-N80 VanDerWaalsContact O-N 3.13Å; N80-K82 VanDerWaalsContact C-N 3.32Å; N80-K82 PolarHBondContact O-N 3.4Å; N80-A84 WeakPolarHBondContact O-CB 3.45Å; N80-A84 PolarHBondContact O-N 3.15Å
81	Q	62.8	Low	62.8	Low	119 Å²	119	108.9 Å²	108.9	56%	0.556	56%	0.564	S	S	*	*	H	α-helix	trans	-66.2	-34	175.3	-72	-179.8	10.9	0	0	112	E77 K79 A85	E77-Q81 HydrophobicContact CG-CG 4.41Å; E77-Q81 WeakPolarHBondContact O-CB 3.48Å; E77-Q81 WeakPolarHBondContact O-CG 3.45Å; E77-Q81 PolarHBondContact O-N 3.29Å; E77-Q81 PolarHBondContact OE1-NE2 2.95Å; K79-Q81 VanDerWaalsContact C-N 3.31Å; K79-Q81 PolarHBondContact O-N 3.46Å; Q81-A85 PolarHBondContact O-N 3.42Å
82	K	62.9	Low	61.7	Low	160 Å²	160	110.4 Å²	110.4	70%	0.696	57%	0.572	S	S	*	*	H	α-helix	trans	-71.7	-48.4	174.6	-158.6	174.1	-171.9	178	0	111.3	Q78 K79 N80 A84 A85	Q78-K82 WeakPolarHBondContact O-CB 3.36Å; Q78-K82 PolarHBondContact O-N 2.95Å; Q78-K82 VanDerWaalsContact O-N 3.16Å; K79-K82 WeakPolarHBondContact O-CB 3.43Å; K79-K82 PolarHBondContact O-N 2.9Å; N80-K82 VanDerWaalsContact C-N 3.32Å; N80-K82 PolarHBondContact O-N 3.4Å; K82-A84 VanDerWaalsContact C-N 3.25Å; K82-A84 PolarHBondContact O-N 3.33Å; K82-A85 WeakPolarHBondContact O-CB 3.48Å; K82-A85 PolarHBondContact O-N 2.8Å
83	D	56.9	Low	60.7	Low	70 Å²	70	111.3 Å²	111.3	37%	0.374	57%	0.57	S	S	.	*	H	α-helix	trans	-62.9	-32	176.7	-62.9	-13	0	0	0	111.2	K79 L87	K79-D83 WeakPolarHBondContact CE-OD2 3.42Å; K79-D83 PolarHBondContact O-N 3.2Å; D83-L87 WeakPolarHBondContact O-CD1 3.44Å; D83-L87 WeakPolarHBondContact O-CG 3.43Å; D83-L87 PolarHBondContact O-N 3.47Å
84	A	52.4	Low	60.1	Low	55 Å²	55	111.7 Å²	111.7	46%	0.455	57%	0.568	S	S	.	*	H	α-helix	trans	-74.8	-18.7	177.2	0	0	0	0	0	114.8	N80 K82	N80-A84 WeakPolarHBondContact O-CB 3.45Å; N80-A84 PolarHBondContact O-N 3.15Å; K82-A84 VanDerWaalsContact C-N 3.25Å; K82-A84 PolarHBondContact O-N 3.33Å
85	A	54	Low	59.3	Low	62 Å²	62	108.7 Å²	108.7	51%	0.512	56%	0.564	S	S	.	*	H	α-helix	trans	-67.2	-41.8	173.5	0	0	0	0	0	111.1	Q81 K82	Q81-A85 PolarHBondContact O-N 3.42Å; K82-A85 WeakPolarHBondContact O-CB 3.48Å; K82-A85 PolarHBondContact O-N 2.8Å
86	D	55.8	Low	58.8	Low	139 Å²	139	105.8 Å²	105.8	74%	0.743	56%	0.561	S	S	*	*	H	α-helix	trans	-78.5	-18.3	-178.8	-63.8	-27.2	0	0	0	113
87	L	54.3	Low	58.7	Low	95 Å²	95	109.1 Å²	109.1	50%	0.497	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.1	4.6	-174	-75.2	172	0	0	0	115.9	D83 P89 F90	D83-L87 WeakPolarHBondContact O-CD1 3.44Å; D83-L87 WeakPolarHBondContact O-CG 3.43Å; D83-L87 PolarHBondContact O-N 3.47Å; L87-P89 VanDerWaalsContact C-N 3.29Å; L87-P89 VanDerWaalsContact O-N 3.09Å; L87-F90 HydrophobicContact CD2-CD2 3.77Å; L87-F90 HydrophobicContact CD2-CE2 4.37Å; L87-F90 HydrophobicContact CD2-CG 4.41Å; L87-F90 PolarHBondContact O-N 3.27Å
88	R	51.2	Low	58.6	Low	207 Å²	207	109.6 Å²	109.6	78%	0.781	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.1	-35.8	-178.4	-78.7	-176.2	171.4	179.1	-1.5	115.9	F90	R88-F90 PolarHBondContact O-N 2.8Å
89	P	50.8	Low	58.4	Low	104 Å²	104	105.9 Å²	105.9	68%	0.675	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-30	175.7	-24.1	35.9	0	0	0	114.9	L87 A91	L87-P89 VanDerWaalsContact C-N 3.29Å; L87-P89 VanDerWaalsContact O-N 3.09Å; P89-A91 PolarHBondContact O-N 3.16Å
90	F	51	Low	58.3	Low	123 Å²	123	106 Å²	106	54%	0.539	57%	0.568	S	S	.	*	H	α-helix	trans	-77.6	-18.4	-173.9	-84.2	-81.3	0	0	0	114.3	L87 R88 L92 E93 Q94	L87-F90 HydrophobicContact CD2-CD2 3.77Å; L87-F90 HydrophobicContact CD2-CE2 4.37Å; L87-F90 HydrophobicContact CD2-CG 4.41Å; L87-F90 PolarHBondContact O-N 3.27Å; R88-F90 PolarHBondContact O-N 2.8Å; F90-L92 VanDerWaalsContact C-N 3.32Å; F90-L92 PolarHBondContact O-N 3.13Å; F90-E93 PolarHBondContact O-N 2.86Å; F90-Q94 PolarHBondContact O-N 3.06Å
91	A	52.4	Low	58.5	Low	62 Å²	62	103.4 Å²	103.4	51%	0.512	56%	0.561	S	S	.	*	H	α-helix	trans	-64.2	-34.1	-175.8	0	0	0	0	0	113.3	P89 S95	P89-A91 PolarHBondContact O-N 3.16Å; A91-S95 PolarHBondContact O-N 3.5Å; A91-S95 VanDerWaalsContact O-N 3.1Å
92	L	55.6	Low	58.8	Low	138 Å²	138	100.8 Å²	100.8	72%	0.723	56%	0.556	S	S	*	*	H	α-helix	trans	-68.8	-42.6	177.9	-77.4	164.9	0	0	0	111.9	F90 S95 A96	F90-L92 VanDerWaalsContact C-N 3.32Å; F90-L92 PolarHBondContact O-N 3.13Å; L92-S95 PolarHBondContact O-N 2.85Å; L92-S95 PolarHBondContact O-OG 3Å; L92-A96 PolarHBondContact O-N 2.95Å
93	E	54.3	Low	59.3	Low	113 Å²	113	98.1 Å²	98.1	53%	0.528	55%	0.549	S	S	.	.	H	α-helix	trans	-66.8	-38.9	179	-165.4	175.2	-166.2	0	0	112.1	F90 S95 A96 Q97	F90-E93 PolarHBondContact O-N 2.86Å; E93-S95 PolarHBondContact O-N 3.36Å; E93-A96 PolarHBondContact O-N 3.19Å; E93-Q97 WeakPolarHBondContact O-CG 3.38Å; E93-Q97 PolarHBondContact O-N 3.34Å; E93-Q97 VanDerWaalsContact O-N 3.15Å
94	Q	57.1	Low	59.9	Low	127 Å²	127	100.9 Å²	100.9	59%	0.593	56%	0.558	S	S	*	*	H	α-helix	trans	-62.7	-40.3	171.4	-78.7	-167.8	-17.3	0	0	112.5	F90 A96 Q97 I98	F90-Q94 PolarHBondContact O-N 3.06Å; Q94-A96 VanDerWaalsContact C-N 3.33Å; Q94-A96 PolarHBondContact O-N 2.92Å; Q94-Q97 PolarHBondContact O-N 3.28Å; Q94-I98 VanDerWaalsContact O-CG1 3.29Å; Q94-I98 WeakPolarHBondContact O-CG1 3.48Å; Q94-I98 PolarHBondContact O-N 3.04Å
95	S	60.1	Low	60.6	Low	64 Å²	64	103 Å²	103	45%	0.448	56%	0.561	S	S	.	*	H	α-helix	trans	-61.1	-40.2	179	75.4	0	0	0	0	112.6	A91 L92 E93 I98 A99	A91-S95 PolarHBondContact O-N 3.5Å; A91-S95 VanDerWaalsContact O-N 3.1Å; L92-S95 PolarHBondContact O-N 2.85Å; L92-S95 PolarHBondContact O-OG 3Å; E93-S95 PolarHBondContact O-N 3.36Å; S95-I98 PolarHBondContact O-N 3.5Å; S95-A99 PolarHBondContact O-N 3.5Å
96	A	65.2	Low	61.3	Low	63 Å²	63	103.6 Å²	103.6	52%	0.521	56%	0.558	S	S	.	*	H	α-helix	trans	-65.9	-41	174.7	0	0	0	0	0	112.7	L92 E93 Q94 A99 Q100	L92-A96 PolarHBondContact O-N 2.95Å; E93-A96 PolarHBondContact O-N 3.19Å; Q94-A96 VanDerWaalsContact C-N 3.33Å; Q94-A96 PolarHBondContact O-N 2.92Å; A96-A99 PolarHBondContact O-N 2.94Å; A96-Q100 PolarHBondContact O-N 3.46Å
97	Q	65.9	Low	62	Low	116 Å²	116	103.7 Å²	103.7	54%	0.542	55%	0.553	S	S	.	*	H	α-helix	trans	-66.2	-37.3	175.9	-68.5	178.7	21.8	0	0	112.2	E93 Q94 Q100 A101	E93-Q97 WeakPolarHBondContact O-CG 3.38Å; E93-Q97 PolarHBondContact O-N 3.34Å; E93-Q97 VanDerWaalsContact O-N 3.15Å; Q94-Q97 PolarHBondContact O-N 3.28Å; Q97-Q100 PolarHBondContact O-N 3.38Å; Q97-A101 WeakPolarHBondContact O-CB 3.44Å; Q97-A101 PolarHBondContact O-N 3.36Å
98	I	66	Low	62.4	Low	117 Å²	117	104.7 Å²	104.7	60%	0.6	56%	0.559	S	S	*	*	H	α-helix	trans	-66.7	-43.3	175.4	-69.4	165.1	0	0	0	111	Q94 S95 A101 S102	Q94-I98 VanDerWaalsContact O-CG1 3.29Å; Q94-I98 WeakPolarHBondContact O-CG1 3.48Å; Q94-I98 PolarHBondContact O-N 3.04Å; S95-I98 PolarHBondContact O-N 3.5Å; I98-A101 PolarHBondContact O-N 2.96Å; I98-S102 PolarHBondContact O-N 3.42Å
99	A	66.7	Low	63.1	Low	55 Å²	55	100.2 Å²	100.2	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-59.9	-46.8	174.5	0	0	0	0	0	111.7	S95 A96 A101 S102 D103	S95-A99 PolarHBondContact O-N 3.5Å; A96-A99 PolarHBondContact O-N 2.94Å; A99-A101 VanDerWaalsContact C-N 3.28Å; A99-A101 PolarHBondContact O-N 3.12Å; A99-S102 WeakPolarHBondContact O-CB 3.32Å; A99-S102 PolarHBondContact O-N 2.86Å; A99-S102 VanDerWaalsContact O-N 3.12Å; A99-D103 PolarHBondContact O-N 3.29Å
100	Q	69	Low	64	Low	133 Å²	133	99.9 Å²	99.9	62%	0.621	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-28.7	177.8	-167.1	-178.4	80.8	0	0	113.1	A96 Q97 K104	A96-Q100 PolarHBondContact O-N 3.46Å; Q97-Q100 PolarHBondContact O-N 3.38Å; Q100-K104 PolarHBondContact O-N 3.06Å
101	A	65	Low	64.7	Low	50 Å²	50	96.5 Å²	96.5	41%	0.413	53%	0.529	S	S	.	.	H	α-helix	trans	-72	-40	171.1	0	0	0	0	0	112	Q97 I98 A99 K104 I105	Q97-A101 WeakPolarHBondContact O-CB 3.44Å; Q97-A101 PolarHBondContact O-N 3.36Å; I98-A101 PolarHBondContact O-N 2.96Å; A99-A101 VanDerWaalsContact C-N 3.28Å; A99-A101 PolarHBondContact O-N 3.12Å; A101-K104 WeakPolarHBondContact O-CB 3.26Å; A101-K104 PolarHBondContact O-N 3.08Å; A101-I105 WeakPolarHBondContact O-CG1 3.41Å; A101-I105 PolarHBondContact O-N 2.78Å
102	S	69.2	Low	65.1	Low	63 Å²	63	97.9 Å²	97.9	44%	0.441	53%	0.525	S	S	.	.	H	α-helix	trans	-60.4	-48.9	176.1	-172.3	0	0	0	0	111.8	I98 A99 K104 I105 V106	I98-S102 PolarHBondContact O-N 3.42Å; A99-S102 WeakPolarHBondContact O-CB 3.32Å; A99-S102 PolarHBondContact O-N 2.86Å; A99-S102 VanDerWaalsContact O-N 3.12Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 3.06Å; S102-I105 WeakPolarHBondContact O-CB 3.39Å; S102-I105 PolarHBondContact O-N 3.39Å; S102-V106 PolarHBondContact O-N 2.81Å
103	D	72.1	Confident	65.6	Low	105 Å²	105	97.4 Å²	97.4	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-59.3	-37.2	176.9	-81.1	-5.5	0	0	0	112.3	A99 V106 Q107	A99-D103 PolarHBondContact O-N 3.29Å; D103-V106 PolarHBondContact O-N 3.38Å; D103-Q107 WeakPolarHBondContact O-CB 3.36Å; D103-Q107 WeakPolarHBondContact O-CG 3.23Å; D103-Q107 PolarHBondContact O-N 3.14Å
104	K	69.9	Low	66	Low	128 Å²	128	99.9 Å²	99.9	56%	0.557	52%	0.524	S	S	*	.	H	α-helix	trans	-64.1	-39.5	173.3	-92	175.6	175.5	167.7	0	112.8	Q100 A101 S102 Q107 L108	Q100-K104 PolarHBondContact O-N 3.06Å; A101-K104 WeakPolarHBondContact O-CB 3.26Å; A101-K104 PolarHBondContact O-N 3.08Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 3.06Å; K104-Q107 PolarHBondContact O-N 3.31Å; K104-L108 WeakPolarHBondContact O-CB 3.36Å; K104-L108 VanDerWaalsContact O-CG 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.21Å; K104-L108 PolarHBondContact O-N 2.84Å
105	I	66.3	Low	66.1	Low	100 Å²	100	101.7 Å²	101.7	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-65.5	-44.7	176.9	-68.1	165.2	0	0	0	110.1	A101 S102 Q107 L108 Q109	A101-I105 WeakPolarHBondContact O-CG1 3.41Å; A101-I105 PolarHBondContact O-N 2.78Å; S102-I105 WeakPolarHBondContact O-CB 3.39Å; S102-I105 PolarHBondContact O-N 3.39Å; I105-Q107 PolarHBondContact O-N 2.94Å; I105-L108 PolarHBondContact O-N 3.1Å; I105-Q109 WeakPolarHBondContact O-CG 3.48Å; I105-Q109 PolarHBondContact O-N 2.78Å
106	V	70.4	Confident	66.2	Low	74 Å²	74	101.7 Å²	101.7	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-42.8	176.2	176.7	0	0	0	0	111.4	S102 D103 L108 Q109 M110	S102-V106 PolarHBondContact O-N 2.81Å; D103-V106 PolarHBondContact O-N 3.38Å; V106-L108 VanDerWaalsContact C-N 3.35Å; V106-L108 PolarHBondContact O-N 3.16Å; V106-Q109 PolarHBondContact O-N 3.45Å; V106-M110 HydrophobicContact CG1-CG 4.47Å; V106-M110 WeakPolarHBondContact O-CB 3.49Å; V106-M110 VanDerWaalsContact O-CG 3.29Å; V106-M110 WeakPolarHBondContact O-CG 3.38Å; V106-M110 PolarHBondContact O-N 3.05Å
107	Q	69	Low	66	Low	140 Å²	140	102.8 Å²	102.8	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-63	-38.7	174.6	-74.8	-178.6	17.2	0	0	112.6	D103 K104 I105 S111	D103-Q107 WeakPolarHBondContact O-CB 3.36Å; D103-Q107 WeakPolarHBondContact O-CG 3.23Å; D103-Q107 PolarHBondContact O-N 3.14Å; K104-Q107 PolarHBondContact O-N 3.31Å; I105-Q107 PolarHBondContact O-N 2.94Å; Q107-S111 WeakPolarHBondContact O-CB 3.32Å; Q107-S111 PolarHBondContact O-N 3.49Å
108	L	62.9	Low	65.5	Low	116 Å²	116	102 Å²	102	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-64.7	-48.2	175.6	-76.1	167.6	0	0	0	111.3	K104 I105 V106 M110 S111 E112	K104-L108 WeakPolarHBondContact O-CB 3.36Å; K104-L108 VanDerWaalsContact O-CG 3.27Å; K104-L108 WeakPolarHBondContact O-CG 3.21Å; K104-L108 PolarHBondContact O-N 2.84Å; I105-L108 PolarHBondContact O-N 3.1Å; V106-L108 VanDerWaalsContact C-N 3.35Å; V106-L108 PolarHBondContact O-N 3.16Å; L108-M110 PolarHBondContact O-N 3.02Å; L108-S111 CarbonylContact O-C 3.59Å; L108-S111 WeakPolarHBondContact O-CA 3.44Å; L108-S111 WeakPolarHBondContact O-CB 3.33Å; L108-S111 PolarHBondContact O-N 3.17Å; L108-S111 PolarHBondContact O-OG 2.95Å; L108-E112 PolarHBondContact O-N 3.41Å
109	Q	67.2	Low	64.8	Low	113 Å²	113	97.5 Å²	97.5	53%	0.528	49%	0.493	S	S	.	.	H	α-helix	trans	-58.2	-45.4	175.8	-72.5	175.3	-29.8	0	0	112	I105 V106 S111 E112 Q113	I105-Q109 WeakPolarHBondContact O-CG 3.48Å; I105-Q109 PolarHBondContact O-N 2.78Å; V106-Q109 PolarHBondContact O-N 3.45Å; Q109-S111 VanDerWaalsContact C-N 3.27Å; Q109-S111 PolarHBondContact O-N 3.27Å; Q109-E112 PolarHBondContact O-N 3.24Å; Q109-Q113 WeakPolarHBondContact O-CB 3.38Å; Q109-Q113 PolarHBondContact O-N 2.65Å
110	M	69.2	Low	64.5	Low	97 Å²	97	100.6 Å²	100.6	48%	0.478	50%	0.498	S	S	.	.	H	α-helix	trans	-64.2	-29.7	175.1	-71.7	-66.6	-72.6	0	0	112.9	V106 L108 R114	V106-M110 HydrophobicContact CG1-CG 4.47Å; V106-M110 WeakPolarHBondContact O-CB 3.49Å; V106-M110 VanDerWaalsContact O-CG 3.29Å; V106-M110 WeakPolarHBondContact O-CG 3.38Å; V106-M110 PolarHBondContact O-N 3.05Å; L108-M110 PolarHBondContact O-N 3.02Å; M110-R114 WeakPolarHBondContact O-CD 3.08Å; M110-R114 VanDerWaalsContact O-CG 3.26Å; M110-R114 WeakPolarHBondContact O-CG 3.45Å; M110-R114 PolarHBondContact O-N 2.8Å
111	S	64.8	Low	64	Low	52 Å²	52	99.6 Å²	99.6	36%	0.364	49%	0.493	S	S	.	.	H	α-helix	trans	-75.8	-37	173.9	80.6	0	0	0	0	112.5	Q107 L108 Q109 R114 W115	Q107-S111 WeakPolarHBondContact O-CB 3.32Å; Q107-S111 PolarHBondContact O-N 3.49Å; L108-S111 CarbonylContact O-C 3.59Å; L108-S111 WeakPolarHBondContact O-CA 3.44Å; L108-S111 WeakPolarHBondContact O-CB 3.33Å; L108-S111 PolarHBondContact O-N 3.17Å; L108-S111 PolarHBondContact O-OG 2.95Å; Q109-S111 VanDerWaalsContact C-N 3.27Å; Q109-S111 PolarHBondContact O-N 3.27Å; S111-R114 PolarHBondContact O-N 3.38Å; S111-W115 PolarHBondContact O-N 3.15Å
112	E	61.7	Low	63.3	Low	92 Å²	92	103.6 Å²	103.6	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-67.9	-45.3	177.3	-167.2	-158.8	140.8	0	0	111.2	L108 Q109 R114 W115 R116	L108-E112 PolarHBondContact O-N 3.41Å; Q109-E112 PolarHBondContact O-N 3.24Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 2.85Å; E112-W115 CarbonylContact O-C 3.59Å; E112-W115 WeakPolarHBondContact O-CA 3.34Å; E112-W115 WeakPolarHBondContact O-CB 3.43Å; E112-W115 PolarHBondContact O-N 2.72Å; E112-R116 WeakPolarHBondContact O-CG 3.45Å; E112-R116 PolarHBondContact O-N 2.87Å; E112-R116 IonicContact OE1-CZ 3.63Å; E112-R116 IonicContact OE1-NE 3.23Å; E112-R116 PolarHBondContact OE1-NE 2.84Å; E112-R116 IonicContact OE1-NH2 3.38Å; E112-R116 PolarHBondContact OE1-NH2 3.13Å
113	Q	66.1	Low	62.9	Low	127 Å²	127	107 Å²	107	59%	0.593	51%	0.505	S	S	*	.	H	α-helix	trans	-61.5	-38.7	177.5	-169.7	170.4	-2.6	0	0	111.6	Q109 R116 T117	Q109-Q113 WeakPolarHBondContact O-CB 3.38Å; Q109-Q113 PolarHBondContact O-N 2.65Å; Q113-R116 PolarHBondContact O-N 3.07Å; Q113-T117 PolarHBondContact O-N 3.44Å; Q113-T117 VanDerWaalsContact O-N 3.16Å; Q113-T117 PolarHBondContact O-OG1 3.46Å
114	R	62.9	Low	62.4	Low	166 Å²	166	107.6 Å²	107.6	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-62.1	-41.6	170.9	-73.2	171.3	-178.9	-172.9	1.2	112.2	M110 S111 E112 I118	M110-R114 WeakPolarHBondContact O-CD 3.08Å; M110-R114 VanDerWaalsContact O-CG 3.26Å; M110-R114 WeakPolarHBondContact O-CG 3.45Å; M110-R114 PolarHBondContact O-N 2.8Å; S111-R114 PolarHBondContact O-N 3.38Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 2.85Å; R114-I118 WeakPolarHBondContact O-CD1 3.4Å; R114-I118 VanDerWaalsContact O-CG1 3.27Å; R114-I118 WeakPolarHBondContact O-CG1 3.4Å; R114-I118 PolarHBondContact O-N 3.42Å; R114-I118 VanDerWaalsContact O-N 3.1Å
115	W	59.4	Low	61.5	Low	165 Å²	165	105 Å²	105	63%	0.625	50%	0.496	S	S	*	.	H	α-helix	trans	-65.7	-39	175.8	-90.5	115	0	0	0	113.1	S111 E112 I118 S119	S111-W115 PolarHBondContact O-N 3.15Å; E112-W115 CarbonylContact O-C 3.59Å; E112-W115 WeakPolarHBondContact O-CA 3.34Å; E112-W115 WeakPolarHBondContact O-CB 3.43Å; E112-W115 PolarHBondContact O-N 2.72Å; W115-I118 HydrophobicContact CE3-CG2 4.36Å; W115-I118 HydrophobicContact CZ3-CG2 4.34Å; W115-I118 PolarHBondContact O-N 3.24Å; W115-S119 PolarHBondContact O-N 2.87Å
116	R	60.8	Low	60.8	Low	63 Å²	63	103 Å²	103	24%	0.238	49%	0.486	C	S	.	.	H	α-helix	trans	-59	-51.1	174.8	-70.7	177.3	-178.3	-114	9.6	110.8	E112 Q113 I118 S119 E120 A531	E112-R116 WeakPolarHBondContact O-CG 3.45Å; E112-R116 PolarHBondContact O-N 2.87Å; E112-R116 IonicContact OE1-CZ 3.63Å; E112-R116 IonicContact OE1-NE 3.23Å; E112-R116 PolarHBondContact OE1-NE 2.84Å; E112-R116 IonicContact OE1-NH2 3.38Å; E112-R116 PolarHBondContact OE1-NH2 3.13Å; Q113-R116 PolarHBondContact O-N 3.07Å; R116-I118 VanDerWaalsContact C-N 3.29Å; R116-I118 PolarHBondContact O-N 3.41Å; R116-S119 PolarHBondContact O-N 3.46Å; R116-S119 VanDerWaalsContact O-N 3.12Å; R116-E120 WeakPolarHBondContact O-CG 3.17Å; R116-E120 PolarHBondContact O-N 3.46Å; R116-A531 PolarHBondContact NH1-O 2.87Å
117	T	61.6	Low	60.3	Low	87 Å²	87	102.5 Å²	102.5	53%	0.534	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-36	176.6	-53.4	0	0	0	0	113	Q113 H121	Q113-T117 PolarHBondContact O-N 3.44Å; Q113-T117 VanDerWaalsContact O-N 3.16Å; Q113-T117 PolarHBondContact O-OG1 3.46Å; T117-H121 WeakPolarHBondContact O-CB 3.12Å; T117-H121 PolarHBondContact O-N 2.88Å; T117-H121 VanDerWaalsContact O-N 3.08Å
118	I	54.9	Low	59.6	Low	99 Å²	99	99.3 Å²	99.3	51%	0.508	47%	0.473	S	S	.	.	H	α-helix	trans	-69.1	-40.7	175.2	-69.6	166	0	0	0	111.6	R114 W115 R116 Y122	R114-I118 WeakPolarHBondContact O-CD1 3.4Å; R114-I118 VanDerWaalsContact O-CG1 3.27Å; R114-I118 WeakPolarHBondContact O-CG1 3.4Å; R114-I118 PolarHBondContact O-N 3.42Å; R114-I118 VanDerWaalsContact O-N 3.1Å; W115-I118 HydrophobicContact CE3-CG2 4.36Å; W115-I118 HydrophobicContact CZ3-CG2 4.34Å; W115-I118 PolarHBondContact O-N 3.24Å; R116-I118 VanDerWaalsContact C-N 3.29Å; R116-I118 PolarHBondContact O-N 3.41Å; I118-Y122 VanDerWaalsContact O-CB 3.28Å; I118-Y122 WeakPolarHBondContact O-CB 3.21Å; I118-Y122 PolarHBondContact O-N 3.36Å
119	S	52.9	Low	58.9	Low	23 Å²	23	98.6 Å²	98.6	16%	0.161	47%	0.467	C	S	.	.	H	α-helix	trans	-68.1	-40	176.9	178.4	0	0	0	0	111.7	W115 R116 Y122 K123 D535	W115-S119 PolarHBondContact O-N 2.87Å; R116-S119 PolarHBondContact O-N 3.46Å; R116-S119 VanDerWaalsContact O-N 3.12Å; S119-Y122 PolarHBondContact O-N 3.05Å; S119-K123 WeakPolarHBondContact O-CB 3.22Å; S119-K123 PolarHBondContact O-N 2.83Å; S119-D535 PolarHBondContact OG-OD2 2.72Å
120	E	60.1	Low	58.4	Low	119 Å²	119	100.6 Å²	100.6	56%	0.556	47%	0.47	S	S	*	.	H	α-helix	trans	-60.4	-49.9	174.2	-72.7	169.9	151.7	0	0	111.2	R116 Y122 K123 E124	R116-E120 WeakPolarHBondContact O-CG 3.17Å; R116-E120 PolarHBondContact O-N 3.46Å; E120-Y122 PolarHBondContact O-N 3.38Å; E120-K123 WeakPolarHBondContact O-CB 3.32Å; E120-K123 PolarHBondContact O-N 3.44Å; E120-K123 VanDerWaalsContact O-N 3.15Å; E120-E124 WeakPolarHBondContact O-CG 3.47Å; E120-E124 PolarHBondContact O-N 3.35Å
121	H	57.2	Low	58.2	Low	112 Å²	112	101.2 Å²	101.2	52%	0.519	47%	0.474	S	S	.	.	H	α-helix	trans	-66.5	-35.3	177.6	-167.4	50.4	0	0	0	113	T117 K123 E124 I125	T117-H121 WeakPolarHBondContact O-CB 3.12Å; T117-H121 PolarHBondContact O-N 2.88Å; T117-H121 VanDerWaalsContact O-N 3.08Å; H121-K123 VanDerWaalsContact C-N 3.32Å; H121-K123 PolarHBondContact O-N 3.06Å; H121-E124 IonicContact CE1-OE2 2.91Å; H121-E124 IonicContact CG-OE2 2.72Å; H121-E124 IonicContact ND1-OE2 2.73Å; H121-E124 PolarHBondContact ND1-OE2 3.1Å; H121-E124 PolarHBondContact O-N 3.06Å; H121-I125 WeakPolarHBondContact O-CG1 3.42Å; H121-I125 PolarHBondContact O-N 3.44Å; H121-I125 VanDerWaalsContact O-N 3.12Å
122	Y	51.6	Low	57.7	Low	135 Å²	135	104.4 Å²	104.4	53%	0.529	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-36.8	172.7	-172.7	-108.4	0	0	0	112	I118 S119 E120 I125 M126	I118-Y122 VanDerWaalsContact O-CB 3.28Å; I118-Y122 WeakPolarHBondContact O-CB 3.21Å; I118-Y122 PolarHBondContact O-N 3.36Å; S119-Y122 PolarHBondContact O-N 3.05Å; E120-Y122 PolarHBondContact O-N 3.38Å; Y122-I125 PolarHBondContact O-N 3.46Å; Y122-M126 HydrophobicContact CD1-CG 4.07Å; Y122-M126 HydrophobicContact CE1-CG 3.71Å; Y122-M126 HydrophobicContact CE1-SD 4.27Å; Y122-M126 HydrophobicContact CE2-CG 4.45Å; Y122-M126 WeakPolarHBondContact O-CB 3.44Å; Y122-M126 VanDerWaalsContact O-CG 3.31Å; Y122-M126 WeakPolarHBondContact O-CG 3.34Å; Y122-M126 PolarHBondContact O-N 2.79Å
123	K	60.9	Low	57.2	Low	134 Å²	134	104.4 Å²	104.4	58%	0.583	49%	0.49	S	S	*	.	H	α-helix	trans	-65.8	-42.7	174.4	-176.1	-170.6	169.9	-160.4	0	111.8	S119 E120 H121 I125 M126 D127	S119-K123 WeakPolarHBondContact O-CB 3.22Å; S119-K123 PolarHBondContact O-N 2.83Å; E120-K123 WeakPolarHBondContact O-CB 3.32Å; E120-K123 PolarHBondContact O-N 3.44Å; E120-K123 VanDerWaalsContact O-N 3.15Å; H121-K123 VanDerWaalsContact C-N 3.32Å; H121-K123 PolarHBondContact O-N 3.06Å; K123-I125 VanDerWaalsContact C-N 3.3Å; K123-I125 PolarHBondContact O-N 2.96Å; K123-M126 PolarHBondContact O-N 3.5Å; K123-D127 WeakPolarHBondContact O-CB 3.24Å; K123-D127 PolarHBondContact O-N 3.3Å
124	E	60.3	Low	56.8	Low	118 Å²	118	102.5 Å²	102.5	55%	0.551	49%	0.487	S	S	*	.	H	α-helix	trans	-56.6	-44.5	173.4	-68.4	174.9	149.3	0	0	111.7	E120 H121 S128	E120-E124 WeakPolarHBondContact O-CG 3.47Å; E120-E124 PolarHBondContact O-N 3.35Å; H121-E124 IonicContact CE1-OE2 2.91Å; H121-E124 IonicContact CG-OE2 2.72Å; H121-E124 IonicContact ND1-OE2 2.73Å; H121-E124 PolarHBondContact ND1-OE2 3.1Å; H121-E124 PolarHBondContact O-N 3.06Å; E124-S128 VanDerWaalsContact O-CB 3.28Å; E124-S128 WeakPolarHBondContact O-CB 3.21Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 3.38Å
125	I	51.3	Low	56.7	Low	72 Å²	72	99 Å²	99	37%	0.369	48%	0.478	S	S	.	.	H	α-helix	trans	-63.6	-45	175.8	-66.8	164.6	0	0	0	110.9	H121 Y122 K123 S128 Q129	H121-I125 WeakPolarHBondContact O-CG1 3.42Å; H121-I125 PolarHBondContact O-N 3.44Å; H121-I125 VanDerWaalsContact O-N 3.12Å; Y122-I125 PolarHBondContact O-N 3.46Å; K123-I125 VanDerWaalsContact C-N 3.3Å; K123-I125 PolarHBondContact O-N 2.96Å; I125-S128 PolarHBondContact O-N 2.79Å; I125-Q129 WeakPolarHBondContact O-CG 3.44Å; I125-Q129 PolarHBondContact O-N 3.36Å
126	M	51.8	Low	56.4	Low	60 Å²	60	96 Å²	96	30%	0.296	47%	0.473	S	S	.	.	H	α-helix	trans	-67.1	-39.2	-179.9	-76.1	-60.7	-51.6	0	0	113.4	Y122 K123 R130	Y122-M126 HydrophobicContact CD1-CG 4.07Å; Y122-M126 HydrophobicContact CE1-CG 3.71Å; Y122-M126 HydrophobicContact CE1-SD 4.27Å; Y122-M126 HydrophobicContact CE2-CG 4.45Å; Y122-M126 WeakPolarHBondContact O-CB 3.44Å; Y122-M126 VanDerWaalsContact O-CG 3.31Å; Y122-M126 WeakPolarHBondContact O-CG 3.34Å; Y122-M126 PolarHBondContact O-N 2.79Å; K123-M126 PolarHBondContact O-N 3.5Å; M126-R130 VanDerWaalsContact O-CG 3.3Å; M126-R130 WeakPolarHBondContact O-CG 3.43Å; M126-R130 PolarHBondContact O-N 2.88Å
127	D	60.4	Low	56.3	Low	63 Å²	63	100.9 Å²	100.9	34%	0.337	49%	0.492	S	S	.	.	H	α-helix	trans	-75	-29.3	176.5	-73.9	-29.2	0	0	0	111.3	K123 R130 L131	K123-D127 WeakPolarHBondContact O-CB 3.24Å; K123-D127 PolarHBondContact O-N 3.3Å; D127-R130 WeakPolarHBondContact O-CB 3.35Å; D127-R130 PolarHBondContact O-N 3.46Å; D127-R130 VanDerWaalsContact OD1-CD 3.3Å; D127-R130 WeakPolarHBondContact OD1-CD 3.14Å; D127-R130 IonicContact OD1-CZ 3.17Å; D127-R130 IonicContact OD1-NE 2.78Å; D127-R130 IonicContact OD1-NH1 3.62Å; D127-R130 PolarHBondContact OD1-NH1 2.91Å; D127-L131 PolarHBondContact O-N 3.43Å
128	S	53	Low	56.2	Low	73 Å²	73	100.5 Å²	100.5	51%	0.51	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-46.6	167.8	-58.3	0	0	0	0	112.2	E124 I125 R130 L131 E132	E124-S128 VanDerWaalsContact O-CB 3.28Å; E124-S128 WeakPolarHBondContact O-CB 3.21Å; E124-S128 PolarHBondContact O-N 3.25Å; E124-S128 PolarHBondContact O-OG 3.38Å; I125-S128 PolarHBondContact O-N 2.79Å; S128-R130 VanDerWaalsContact C-N 3.27Å; S128-R130 PolarHBondContact O-N 3.39Å; S128-L131 WeakPolarHBondContact O-CB 3.49Å; S128-L131 PolarHBondContact O-N 3.47Å; S128-L131 VanDerWaalsContact O-N 3.13Å; S128-E132 PolarHBondContact O-N 3.09Å
129	Q	49.1	Very low	56.6	Low	101 Å²	101	101.2 Å²	101.2	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-62.8	-33.3	174.7	-76.1	-176.6	-4.8	0	0	112.4	I125 T133	I125-Q129 WeakPolarHBondContact O-CG 3.44Å; I125-Q129 PolarHBondContact O-N 3.36Å; Q129-T133 VanDerWaalsContact O-CB 3.31Å; Q129-T133 WeakPolarHBondContact O-CB 3.36Å; Q129-T133 PolarHBondContact O-N 3.37Å; Q129-T133 PolarHBondContact O-OG1 3.01Å
130	R	57.1	Low	56.8	Low	155 Å²	155	106.8 Å²	106.8	59%	0.585	51%	0.507	S	S	*	.	H	α-helix	trans	-65.5	-43.3	171.5	-78.5	164.8	165.4	173	-2.3	111.9	M126 D127 S128 T133 V134	M126-R130 VanDerWaalsContact O-CG 3.3Å; M126-R130 WeakPolarHBondContact O-CG 3.43Å; M126-R130 PolarHBondContact O-N 2.88Å; D127-R130 WeakPolarHBondContact O-CB 3.35Å; D127-R130 PolarHBondContact O-N 3.46Å; D127-R130 VanDerWaalsContact OD1-CD 3.3Å; D127-R130 WeakPolarHBondContact OD1-CD 3.14Å; D127-R130 IonicContact OD1-CZ 3.17Å; D127-R130 IonicContact OD1-NE 2.78Å; D127-R130 IonicContact OD1-NH1 3.62Å; D127-R130 PolarHBondContact OD1-NH1 2.91Å; S128-R130 VanDerWaalsContact C-N 3.27Å; S128-R130 PolarHBondContact O-N 3.39Å; R130-T133 PolarHBondContact O-N 3Å; R130-V134 WeakPolarHBondContact O-CG2 3.39Å; R130-V134 PolarHBondContact O-N 3.33Å
131	L	63.2	Low	56.9	Low	110 Å²	110	104.4 Å²	104.4	58%	0.576	50%	0.496	S	S	*	.	H	α-helix	trans	-61.8	-47.4	176.5	-174.9	63.3	0	0	0	111	D127 S128 T133 V134 E135	D127-L131 PolarHBondContact O-N 3.43Å; S128-L131 WeakPolarHBondContact O-CB 3.49Å; S128-L131 PolarHBondContact O-N 3.47Å; S128-L131 VanDerWaalsContact O-N 3.13Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.43Å; L131-V134 PolarHBondContact O-N 3.27Å; L131-V134 VanDerWaalsContact O-N 3.15Å; L131-E135 PolarHBondContact O-N 2.91Å
132	E	55	Low	57.2	Low	119 Å²	119	102.3 Å²	102.3	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-58.9	-41.4	174	-174.2	178.1	-158.5	0	0	112	S128 V134 E135 L136	S128-E132 PolarHBondContact O-N 3.09Å; E132-V134 PolarHBondContact O-N 2.83Å; E132-E135 PolarHBondContact O-N 3.42Å; E132-L136 HydrophobicContact CG-CD1 4.15Å; E132-L136 WeakPolarHBondContact O-CB 3.21Å; E132-L136 VanDerWaalsContact O-CG 3.29Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 3.16Å
133	T	50.8	Low	57.6	Low	91 Å²	91	99 Å²	99	56%	0.558	48%	0.482	S	S	*	.	H	α-helix	trans	-64.3	-39.5	175.4	-58.8	0	0	0	0	112.1	Q129 R130 L131 R137	Q129-T133 VanDerWaalsContact O-CB 3.31Å; Q129-T133 WeakPolarHBondContact O-CB 3.36Å; Q129-T133 PolarHBondContact O-N 3.37Å; Q129-T133 PolarHBondContact O-OG1 3.01Å; R130-T133 PolarHBondContact O-N 3Å; L131-T133 VanDerWaalsContact C-N 3.32Å; L131-T133 PolarHBondContact O-N 3.43Å; T133-R137 VanDerWaalsContact O-CB 3.3Å; T133-R137 WeakPolarHBondContact O-CB 3.29Å; T133-R137 PolarHBondContact O-N 3.43Å
134	V	59.2	Low	57.6	Low	88 Å²	88	96.3 Å²	96.3	53%	0.533	47%	0.474	S	S	.	.	H	α-helix	trans	-67	-44.1	175.5	169	0	0	0	0	110.3	R130 L131 E132 R137 T138	R130-V134 WeakPolarHBondContact O-CG2 3.39Å; R130-V134 PolarHBondContact O-N 3.33Å; L131-V134 PolarHBondContact O-N 3.27Å; L131-V134 VanDerWaalsContact O-N 3.15Å; E132-V134 PolarHBondContact O-N 2.83Å; V134-R137 PolarHBondContact O-N 3.46Å; V134-T138 PolarHBondContact O-N 3.06Å; V134-T138 PolarHBondContact O-OG1 2.96Å
135	E	60.8	Low	57.9	Low	93 Å²	93	99.2 Å²	99.2	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-59.9	-48.1	174.1	-79.3	-166.1	-152.7	0	0	112.7	L131 E132 R137 T138 K139	L131-E135 PolarHBondContact O-N 2.91Å; E132-E135 PolarHBondContact O-N 3.42Å; E135-R137 VanDerWaalsContact C-N 3.27Å; E135-R137 PolarHBondContact O-N 3.37Å; E135-T138 PolarHBondContact O-N 2.84Å; E135-K139 WeakPolarHBondContact O-CB 3.49Å; E135-K139 WeakPolarHBondContact O-CD 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.24Å; E135-K139 WeakPolarHBondContact O-CG 3.43Å; E135-K139 PolarHBondContact O-N 3.39Å; E135-K139 IonicContact OE2-NZ 2.81Å; E135-K139 PolarHBondContact OE2-NZ 2.9Å
136	L	53.4	Low	58.6	Low	101 Å²	101	98.8 Å²	98.8	53%	0.529	48%	0.478	S	S	.	.	H	α-helix	trans	-59.6	-40.4	177.3	-75.6	169.8	0	0	0	111	E132 K139 Y140	E132-L136 HydrophobicContact CG-CD1 4.15Å; E132-L136 WeakPolarHBondContact O-CB 3.21Å; E132-L136 VanDerWaalsContact O-CG 3.29Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 3.16Å; L136-K139 PolarHBondContact O-N 3.04Å; L136-Y140 WeakPolarHBondContact O-CB 3.44Å; L136-Y140 PolarHBondContact O-N 3.24Å
137	R	57.3	Low	59.2	Low	166 Å²	166	101.6 Å²	101.6	63%	0.626	49%	0.49	S	S	*	.	H	α-helix	trans	-64.6	-44.4	173.9	-177.9	176	172.9	157.4	4.9	112.2	T133 V134 E135 K139 Y140 E141	T133-R137 VanDerWaalsContact O-CB 3.3Å; T133-R137 WeakPolarHBondContact O-CB 3.29Å; T133-R137 PolarHBondContact O-N 3.43Å; V134-R137 PolarHBondContact O-N 3.46Å; E135-R137 VanDerWaalsContact C-N 3.27Å; E135-R137 PolarHBondContact O-N 3.37Å; R137-K139 VanDerWaalsContact C-N 3.34Å; R137-K139 PolarHBondContact O-N 3.05Å; R137-Y140 PolarHBondContact O-N 3.36Å; R137-E141 HydrophobicContact CG-CG 4.44Å; R137-E141 IonicContact CZ-OE1 2.72Å; R137-E141 VanDerWaalsContact CZ-OE1 3.28Å; R137-E141 IonicContact NE-OE1 3.21Å; R137-E141 PolarHBondContact NE-OE1 2.87Å; R137-E141 IonicContact NH2-OE1 2.86Å; R137-E141 PolarHBondContact NH2-OE1 3.14Å; R137-E141 WeakPolarHBondContact O-CG 3.32Å; R137-E141 PolarHBondContact O-N 3.45Å
138	T	60.7	Low	59.3	Low	78 Å²	78	101.6 Å²	101.6	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-64.1	-39	176.6	-56.3	0	0	0	0	111.7	V134 E135 T142	V134-T138 PolarHBondContact O-N 3.06Å; V134-T138 PolarHBondContact O-OG1 2.96Å; E135-T138 PolarHBondContact O-N 2.84Å; T138-T142 WeakPolarHBondContact O-CB 3.32Å; T138-T142 PolarHBondContact O-N 2.96Å; T138-T142 PolarHBondContact O-OG1 3.36Å
139	K	63	Low	60.1	Low	114 Å²	114	100.8 Å²	100.8	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-42.1	172.5	-71.3	158	-178.5	160.4	0	111.1	E135 L136 R137 T142 L143	E135-K139 WeakPolarHBondContact O-CB 3.49Å; E135-K139 WeakPolarHBondContact O-CD 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.24Å; E135-K139 WeakPolarHBondContact O-CG 3.43Å; E135-K139 PolarHBondContact O-N 3.39Å; E135-K139 IonicContact OE2-NZ 2.81Å; E135-K139 PolarHBondContact OE2-NZ 2.9Å; L136-K139 PolarHBondContact O-N 3.04Å; R137-K139 VanDerWaalsContact C-N 3.34Å; R137-K139 PolarHBondContact O-N 3.05Å; K139-T142 WeakPolarHBondContact O-CB 3.43Å; K139-T142 PolarHBondContact O-N 3.34Å; K139-L143 PolarHBondContact O-N 3.28Å
140	Y	56.7	Low	60.8	Low	140 Å²	140	98 Å²	98	55%	0.549	48%	0.482	S	S	.	.	H	α-helix	trans	-70.3	-41.9	176.8	-174.7	-109.1	0	0	0	113.7	L136 R137 T142 L143 L144	L136-Y140 WeakPolarHBondContact O-CB 3.44Å; L136-Y140 PolarHBondContact O-N 3.24Å; R137-Y140 PolarHBondContact O-N 3.36Å; Y140-T142 PolarHBondContact O-N 3.43Å; Y140-L143 HydrophobicContact CD2-CD1 4.44Å; Y140-L143 WeakPolarHBondContact O-CB 3.36Å; Y140-L143 PolarHBondContact O-N 3.13Å; Y140-L143 VanDerWaalsContact O-N 3.16Å; Y140-L144 HydrophobicContact CD1-CD1 4.04Å; Y140-L144 HydrophobicContact CE1-CD1 3.62Å; Y140-L144 HydrophobicContact CE1-CG 4.22Å; Y140-L144 PolarHBondContact O-N 3.36Å
141	E	61.3	Low	61.4	Low	70 Å²	70	96 Å²	96	33%	0.327	48%	0.479	S	S	.	.	H	α-helix	trans	-65.8	-27.8	173.4	-71.2	-180	-169.6	0	0	111.7	R137 R145	R137-E141 HydrophobicContact CG-CG 4.44Å; R137-E141 IonicContact CZ-OE1 2.72Å; R137-E141 VanDerWaalsContact CZ-OE1 3.28Å; R137-E141 IonicContact NE-OE1 3.21Å; R137-E141 PolarHBondContact NE-OE1 2.87Å; R137-E141 IonicContact NH2-OE1 2.86Å; R137-E141 PolarHBondContact NH2-OE1 3.14Å; R137-E141 WeakPolarHBondContact O-CG 3.32Å; R137-E141 PolarHBondContact O-N 3.45Å; E141-R145 WeakPolarHBondContact O-CG 3.16Å; E141-R145 PolarHBondContact O-N 3.47Å
142	T	63.9	Low	61.6	Low	67 Å²	67	93.4 Å²	93.4	41%	0.411	47%	0.473	S	S	.	.	H	α-helix	trans	-72.1	-40.5	170.6	-55.8	0	0	0	0	111.9	T138 K139 Y140 R145 N146	T138-T142 WeakPolarHBondContact O-CB 3.32Å; T138-T142 PolarHBondContact O-N 2.96Å; T138-T142 PolarHBondContact O-OG1 3.36Å; K139-T142 WeakPolarHBondContact O-CB 3.43Å; K139-T142 PolarHBondContact O-N 3.34Å; Y140-T142 PolarHBondContact O-N 3.43Å; T142-R145 PolarHBondContact O-N 3.03Å; T142-N146 VanDerWaalsContact O-CG 3.25Å; T142-N146 PolarHBondContact O-N 2.99Å; T142-N146 PolarHBondContact O-ND2 2.77Å
143	L	60.5	Low	62.2	Low	67 Å²	67	91.2 Å²	91.2	35%	0.351	46%	0.462	S	S	.	.	H	α-helix	trans	-57.1	-49.9	171.9	-79.3	174.1	0	0	0	111.6	K139 Y140 R145 N146 E147 F204	K139-L143 PolarHBondContact O-N 3.28Å; Y140-L143 HydrophobicContact CD2-CD1 4.44Å; Y140-L143 WeakPolarHBondContact O-CB 3.36Å; Y140-L143 PolarHBondContact O-N 3.13Å; Y140-L143 VanDerWaalsContact O-N 3.16Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.45Å; L143-N146 CarbonylContact O-C 3.59Å; L143-N146 WeakPolarHBondContact O-CB 3.3Å; L143-N146 PolarHBondContact O-N 3.46Å; L143-E147 WeakPolarHBondContact O-CB 3.44Å; L143-E147 PolarHBondContact O-N 2.93Å; L143-F204 HydrophobicContact CD1-CZ 4.06Å; L143-F204 HydrophobicContact CD2-CE2 3.92Å; L143-F204 HydrophobicContact CD2-CZ 3.89Å; L143-F204 HydrophobicContact CG-CZ 4.27Å
144	L	60.6	Low	63	Low	76 Å²	76	93 Å²	93	40%	0.398	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-36.7	179.9	-71.1	172.1	0	0	0	112.8	Y140 A148	Y140-L144 HydrophobicContact CD1-CD1 4.04Å; Y140-L144 HydrophobicContact CE1-CD1 3.62Å; Y140-L144 HydrophobicContact CE1-CG 4.22Å; Y140-L144 PolarHBondContact O-N 3.36Å; L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 2.95Å
145	R	66.4	Low	63.5	Low	180 Å²	180	93.9 Å²	93.9	68%	0.679	46%	0.457	S	S	*	.	H	α-helix	trans	-66.8	-38.6	173.4	-70.9	174.8	-165.3	-164.7	5.8	112.1	E141 T142 L143 S149	E141-R145 WeakPolarHBondContact O-CG 3.16Å; E141-R145 PolarHBondContact O-N 3.47Å; T142-R145 PolarHBondContact O-N 3.03Å; L143-R145 VanDerWaalsContact C-N 3.3Å; L143-R145 PolarHBondContact O-N 3.45Å; R145-S149 VanDerWaalsContact O-CB 3.27Å; R145-S149 WeakPolarHBondContact O-CB 3.31Å; R145-S149 PolarHBondContact O-N 3.12Å
146	N	65.6	Low	64	Low	62 Å²	62	94.3 Å²	94.3	33%	0.332	46%	0.46	S	S	.	.	H	α-helix	trans	-71.6	-36.8	177.9	-67.9	-17.9	0	0	0	112	T142 L143 S149 L150 L200	T142-N146 VanDerWaalsContact O-CG 3.25Å; T142-N146 PolarHBondContact O-N 2.99Å; T142-N146 PolarHBondContact O-ND2 2.77Å; L143-N146 CarbonylContact O-C 3.59Å; L143-N146 WeakPolarHBondContact O-CB 3.3Å; L143-N146 PolarHBondContact O-N 3.46Å; N146-S149 PolarHBondContact O-N 3Å; N146-L150 WeakPolarHBondContact O-CB 3.31Å; N146-L150 PolarHBondContact O-N 3.34Å; N146-L200 HydrophobicContact CB-CD2 3.83Å; N146-L200 WeakPolarHBondContact ND2-CD2 3.37Å
147	E	65.7	Low	64.8	Low	120 Å²	120	91.6 Å²	91.6	56%	0.561	45%	0.446	S	S	*	.	H	α-helix	trans	-63.2	-49.3	173.4	-175.8	171.9	-158.4	0	0	111.2	L143 S149 L150 Q151	L143-E147 WeakPolarHBondContact O-CB 3.44Å; L143-E147 PolarHBondContact O-N 2.93Å; E147-S149 VanDerWaalsContact C-N 3.32Å; E147-S149 PolarHBondContact O-N 3.22Å; E147-L150 PolarHBondContact O-N 3.36Å; E147-Q151 PolarHBondContact O-N 3.09Å
148	A	62.7	Low	65.4	Low	63 Å²	63	89.6 Å²	89.6	52%	0.521	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-37.5	174.5	0	0	0	0	0	112.9	L144 Q151 A152	L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 2.95Å; A148-Q151 PolarHBondContact O-N 2.79Å; A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.45Å
149	S	68.3	Low	65.9	Low	55 Å²	55	88.6 Å²	88.6	39%	0.385	44%	0.444	S	S	.	.	H	α-helix	trans	-64.9	-43.3	174.8	-177.1	0	0	0	0	112.2	R145 N146 E147 K153	R145-S149 VanDerWaalsContact O-CB 3.27Å; R145-S149 WeakPolarHBondContact O-CB 3.31Å; R145-S149 PolarHBondContact O-N 3.12Å; N146-S149 PolarHBondContact O-N 3Å; E147-S149 VanDerWaalsContact C-N 3.32Å; E147-S149 PolarHBondContact O-N 3.22Å; S149-K153 WeakPolarHBondContact O-CG 3.32Å; S149-K153 PolarHBondContact O-N 2.99Å; S149-K153 VanDerWaalsContact O-N 3.15Å
150	L	65.4	Low	66.3	Low	44 Å²	44	86.7 Å²	86.7	23%	0.23	44%	0.437	C	S	.	.	H	α-helix	trans	-62.4	-45.5	173.2	-86.7	167.7	0	0	0	111.6	N146 E147 K153 Y154 L200	N146-L150 WeakPolarHBondContact O-CB 3.31Å; N146-L150 PolarHBondContact O-N 3.34Å; E147-L150 PolarHBondContact O-N 3.36Å; L150-K153 WeakPolarHBondContact O-CB 3.43Å; L150-K153 PolarHBondContact O-N 2.89Å; L150-Y154 WeakPolarHBondContact O-CD2 3.44Å; L150-Y154 PolarHBondContact O-N 3.36Å; L150-L200 HydrophobicContact CD1-CD1 3.6Å
151	Q	68.5	Low	66.9	Low	112 Å²	112	81.6 Å²	81.6	52%	0.523	42%	0.419	S	S	.	.	H	α-helix	trans	-64.4	-45.1	-179	-179.5	162.8	-21.3	0	0	111.9	E147 A148 K153 Y154 E155	E147-Q151 PolarHBondContact O-N 3.09Å; A148-Q151 PolarHBondContact O-N 2.79Å; Q151-K153 PolarHBondContact O-N 3.13Å; Q151-Y154 WeakPolarHBondContact O-CB 3.35Å; Q151-Y154 PolarHBondContact O-N 3.5Å; Q151-E155 HydrophobicContact CG-CG 4.39Å; Q151-E155 VanDerWaalsContact CG-OE1 3.26Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.22Å; Q151-E155 PolarHBondContact NE2-OE1 3.49Å; Q151-E155 WeakPolarHBondContact O-CG 3.35Å; Q151-E155 PolarHBondContact O-N 2.92Å
152	A	67.5	Low	67.3	Low	55 Å²	55	83.3 Å²	83.3	46%	0.455	43%	0.429	S	S	.	.	H	α-helix	trans	-60.2	-33.4	174.6	0	0	0	0	0	112.8	A148 M156	A148-A152 WeakPolarHBondContact O-CB 3.48Å; A148-A152 PolarHBondContact O-N 3.45Å; A152-M156 WeakPolarHBondContact O-CB 3.23Å; A152-M156 PolarHBondContact O-N 3.16Å
153	K	67.8	Low	67.6	Low	73 Å²	73	85.6 Å²	85.6	32%	0.317	44%	0.435	S	S	.	.	H	α-helix	trans	-70.1	-38.4	172.6	-74.3	173.9	176.2	-170.6	0	112.7	S149 L150 Q151 L157 E196	S149-K153 WeakPolarHBondContact O-CG 3.32Å; S149-K153 PolarHBondContact O-N 2.99Å; S149-K153 VanDerWaalsContact O-N 3.15Å; L150-K153 WeakPolarHBondContact O-CB 3.43Å; L150-K153 PolarHBondContact O-N 2.89Å; Q151-K153 PolarHBondContact O-N 3.13Å; K153-L157 WeakPolarHBondContact O-CB 3.43Å; K153-L157 WeakPolarHBondContact O-CG 3.19Å; K153-L157 PolarHBondContact O-N 3.2Å; K153-E196 IonicContact NZ-OE1 2.66Å; K153-E196 PolarHBondContact NZ-OE1 3.06Å; K153-E196 IonicContact NZ-OE2 2.66Å; K153-E196 PolarHBondContact NZ-OE2 3.23Å
154	Y	66.9	Low	67.9	Low	130 Å²	130	88 Å²	88	51%	0.51	44%	0.44	S	S	.	.	H	α-helix	trans	-63.3	-47.1	173.5	-96.8	-79.3	0	0	0	111.5	L150 Q151 M156 L157 E158 I193	L150-Y154 WeakPolarHBondContact O-CD2 3.44Å; L150-Y154 PolarHBondContact O-N 3.36Å; Q151-Y154 WeakPolarHBondContact O-CB 3.35Å; Q151-Y154 PolarHBondContact O-N 3.5Å; Y154-M156 VanDerWaalsContact C-N 3.34Å; Y154-M156 PolarHBondContact O-N 2.95Å; Y154-L157 PolarHBondContact O-N 2.99Å; Y154-E158 PolarHBondContact O-N 3.3Å; Y154-I193 HydrophobicContact CE1-CD1 4.2Å; Y154-I193 HydrophobicContact CE2-CD1 4.49Å; Y154-I193 HydrophobicContact CE2-CG2 4.39Å
155	E	70.8	Confident	68.2	Low	106 Å²	106	89.9 Å²	89.9	50%	0.495	45%	0.445	S	S	.	.	H	α-helix	trans	-61	-41.2	177.1	-70.2	165.2	-177.6	0	0	111.4	Q151 E158 A159	Q151-E155 HydrophobicContact CG-CG 4.39Å; Q151-E155 VanDerWaalsContact CG-OE1 3.26Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.22Å; Q151-E155 PolarHBondContact NE2-OE1 3.49Å; Q151-E155 WeakPolarHBondContact O-CG 3.35Å; Q151-E155 PolarHBondContact O-N 2.92Å; E155-E158 PolarHBondContact O-N 2.92Å; E155-A159 WeakPolarHBondContact O-CB 3.25Å; E155-A159 PolarHBondContact O-N 3.38Å
156	M	71.8	Confident	68	Low	101 Å²	101	83.9 Å²	83.9	50%	0.498	43%	0.431	S	S	.	.	H	α-helix	trans	-63.5	-42.2	173.4	-176.2	-176.4	68.4	0	0	112.8	A152 Y154 A159 Q160	A152-M156 WeakPolarHBondContact O-CB 3.23Å; A152-M156 PolarHBondContact O-N 3.16Å; Y154-M156 VanDerWaalsContact C-N 3.34Å; Y154-M156 PolarHBondContact O-N 2.95Å; M156-A159 PolarHBondContact O-N 2.92Å; M156-Q160 WeakPolarHBondContact O-CG 3.37Å; M156-Q160 PolarHBondContact O-N 3.42Å
157	L	69.2	Low	67.6	Low	44 Å²	44	84.4 Å²	84.4	23%	0.23	43%	0.434	C	S	.	.	H	α-helix	trans	-69	-34.8	177.2	-76.1	169.4	0	0	0	112.2	K153 Y154 L161 A189 I193	K153-L157 WeakPolarHBondContact O-CB 3.43Å; K153-L157 WeakPolarHBondContact O-CG 3.19Å; K153-L157 PolarHBondContact O-N 3.2Å; Y154-L157 PolarHBondContact O-N 2.99Å; L157-L161 WeakPolarHBondContact O-CB 3.27Å; L157-L161 PolarHBondContact O-N 2.95Å; L157-A189 HydrophobicContact CD1-CB 4.48Å; L157-A189 HydrophobicContact CD2-CB 4.11Å; L157-I193 HydrophobicContact CD1-CD1 3.88Å; L157-I193 HydrophobicContact CD1-CG1 4.39Å
158	E	69.9	Low	66.9	Low	125 Å²	125	80.9 Å²	80.9	58%	0.584	42%	0.423	S	S	*	.	H	α-helix	trans	-68.2	-41.6	173.8	-176.1	157.5	-141.5	0	0	111.6	Y154 E155 L161 I162	Y154-E158 PolarHBondContact O-N 3.3Å; E155-E158 PolarHBondContact O-N 2.92Å; E158-L161 WeakPolarHBondContact O-CB 3.48Å; E158-L161 PolarHBondContact O-N 3.49Å; E158-I162 HydrophobicContact CG-CD1 4.13Å; E158-I162 VanDerWaalsContact O-CG1 3.31Å; E158-I162 WeakPolarHBondContact O-CG1 3.41Å; E158-I162 PolarHBondContact O-N 3.48Å
159	A	70.9	Confident	66.2	Low	57 Å²	57	88 Å²	88	47%	0.471	44%	0.436	S	S	.	.	H	α-helix	trans	-59.6	-47.1	172.3	0	0	0	0	0	112.1	E155 M156 L161 I162 E163	E155-A159 WeakPolarHBondContact O-CB 3.25Å; E155-A159 PolarHBondContact O-N 3.38Å; M156-A159 PolarHBondContact O-N 2.92Å; A159-L161 VanDerWaalsContact C-N 3.3Å; A159-L161 PolarHBondContact O-N 3.47Å; A159-I162 PolarHBondContact O-N 2.79Å; A159-E163 PolarHBondContact O-N 3.37Å
160	Q	71.2	Confident	65.2	Low	73 Å²	73	91.2 Å²	91.2	34%	0.341	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-36.6	174.8	-73.7	176.8	3.4	0	0	112.4	M156 E163 Y164	M156-Q160 WeakPolarHBondContact O-CG 3.37Å; M156-Q160 PolarHBondContact O-N 3.42Å; Q160-E163 PolarHBondContact O-N 3.12Å; Q160-Y164 WeakPolarHBondContact O-CB 3.32Å; Q160-Y164 PolarHBondContact O-N 3.44Å
161	L	69	Low	64.1	Low	34 Å²	34	97.2 Å²	97.2	18%	0.178	47%	0.472	C	S	.	.	H	α-helix	trans	-67.5	-39	175.2	178.7	63.7	0	0	0	112.4	L157 E158 A159 Y164 K165 W186	L157-L161 WeakPolarHBondContact O-CB 3.27Å; L157-L161 PolarHBondContact O-N 2.95Å; E158-L161 WeakPolarHBondContact O-CB 3.48Å; E158-L161 PolarHBondContact O-N 3.49Å; A159-L161 VanDerWaalsContact C-N 3.3Å; A159-L161 PolarHBondContact O-N 3.47Å; L161-Y164 PolarHBondContact O-N 3.01Å; L161-K165 HydrophobicContact CD1-CD 4.39Å; L161-K165 HydrophobicContact CD1-CG 4.47Å; L161-K165 HydrophobicContact CG-CD 4.17Å; L161-K165 WeakPolarHBondContact O-CB 3.32Å; L161-K165 VanDerWaalsContact O-CG 3.25Å; L161-K165 WeakPolarHBondContact O-CG 3.29Å; L161-K165 PolarHBondContact O-N 3.34Å; L161-W186 HydrophobicContact CD1-CH2 4.36Å; L161-W186 HydrophobicContact CD1-CZ2 3.46Å; L161-W186 VanDerWaalsContact CD1-CZ2 3.46Å; L161-W186 HydrophobicContact CD2-CH2 3.72Å; L161-W186 HydrophobicContact CD2-CZ2 3.52Å; L161-W186 HydrophobicContact CG-CZ2 4.06Å
162	I	71.6	Confident	62.9	Low	105 Å²	105	98.6 Å²	98.6	54%	0.538	48%	0.483	S	S	.	.	H	α-helix	trans	-63.9	-46	175.2	-69.6	163.6	0	0	0	109.6	E158 A159 Y164 K165 S166	E158-I162 HydrophobicContact CG-CD1 4.13Å; E158-I162 VanDerWaalsContact O-CG1 3.31Å; E158-I162 WeakPolarHBondContact O-CG1 3.41Å; E158-I162 PolarHBondContact O-N 3.48Å; A159-I162 PolarHBondContact O-N 2.79Å; I162-Y164 PolarHBondContact O-N 3.17Å; I162-K165 WeakPolarHBondContact O-CB 3.11Å; I162-K165 PolarHBondContact O-N 3.22Å; I162-S166 PolarHBondContact O-N 3.25Å; I162-S166 PolarHBondContact O-OG 2.93Å
163	E	70	Confident	61.8	Low	116 Å²	116	99.8 Å²	99.8	54%	0.542	49%	0.493	S	S	.	.	H	α-helix	trans	-62.1	-42.7	176.1	-170.2	-175	168.7	0	0	112.2	A159 Q160 K165 S166 N167	A159-E163 PolarHBondContact O-N 3.37Å; Q160-E163 PolarHBondContact O-N 3.12Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 2.95Å; E163-S166 WeakPolarHBondContact CA-OG 3.34Å; E163-S166 PolarHBondContact O-N 3.46Å; E163-S166 PolarHBondContact O-OG 3.45Å; E163-N167 WeakPolarHBondContact O-CB 3.41Å; E163-N167 PolarHBondContact O-N 3.01Å; E163-N167 PolarHBondContact O-ND2 3.18Å
164	Y	66	Low	60.5	Low	116 Å²	116	102.3 Å²	102.3	46%	0.455	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-37.8	175.1	-167.7	-91.9	0	0	0	111.7	Q160 L161 I162 S168	Q160-Y164 WeakPolarHBondContact O-CB 3.32Å; Q160-Y164 PolarHBondContact O-N 3.44Å; L161-Y164 PolarHBondContact O-N 3.01Å; I162-Y164 PolarHBondContact O-N 3.17Å; Y164-S168 VanDerWaalsContact O-CB 3.26Å; Y164-S168 WeakPolarHBondContact O-CB 3.4Å; Y164-S168 PolarHBondContact O-N 3.47Å; Y164-S168 PolarHBondContact O-OG 2.91Å
165	K	66.2	Low	59.2	Low	116 Å²	116	104.8 Å²	104.8	50%	0.504	53%	0.525	S	S	.	.	H	α-helix	trans	-68.6	-33.5	175	-76.1	169.3	-179.6	169.6	0	113.2	L161 I162 E163 S168 R169	L161-K165 HydrophobicContact CD1-CD 4.39Å; L161-K165 HydrophobicContact CD1-CG 4.47Å; L161-K165 HydrophobicContact CG-CD 4.17Å; L161-K165 WeakPolarHBondContact O-CB 3.32Å; L161-K165 VanDerWaalsContact O-CG 3.25Å; L161-K165 WeakPolarHBondContact O-CG 3.29Å; L161-K165 PolarHBondContact O-N 3.34Å; I162-K165 WeakPolarHBondContact O-CB 3.11Å; I162-K165 PolarHBondContact O-N 3.22Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 2.95Å; K165-S168 PolarHBondContact O-OG 3.14Å; K165-R169 WeakPolarHBondContact O-CG 3.15Å; K165-R169 PolarHBondContact O-N 2.94Å
166	S	62.1	Low	57.5	Low	54 Å²	54	108.7 Å²	108.7	38%	0.378	54%	0.544	S	S	.	.	H	α-helix	trans	-72.6	-47.1	172.3	53.5	0	0	0	0	111.3	I162 E163 S168 R169 I170	I162-S166 PolarHBondContact O-N 3.25Å; I162-S166 PolarHBondContact O-OG 2.93Å; E163-S166 WeakPolarHBondContact CA-OG 3.34Å; E163-S166 PolarHBondContact O-N 3.46Å; E163-S166 PolarHBondContact O-OG 3.45Å; S166-S168 PolarHBondContact O-N 3.29Å; S166-R169 PolarHBondContact O-N 3.09Å; S166-R169 VanDerWaalsContact O-N 3.11Å; S166-I170 WeakPolarHBondContact O-CG1 3.42Å; S166-I170 PolarHBondContact O-N 3.13Å
167	N	58.4	Low	55.8	Low	73 Å²	73	112.6 Å²	112.6	39%	0.39	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-37	-178.5	-73	-23	0	0	0	112.6	E163 R169 I170 K171	E163-N167 WeakPolarHBondContact O-CB 3.41Å; E163-N167 PolarHBondContact O-N 3.01Å; E163-N167 PolarHBondContact O-ND2 3.18Å; N167-R169 VanDerWaalsContact C-N 3.34Å; N167-I170 PolarHBondContact O-N 3.05Å; N167-K171 WeakPolarHBondContact O-CB 3.38Å; N167-K171 PolarHBondContact O-N 2.8Å
168	S	51.4	Low	54.4	Low	47 Å²	47	115 Å²	115	33%	0.329	59%	0.589	S	S	.	*	H	α-helix	trans	-73.4	-19.5	174.1	56.6	0	0	0	0	114.2	Y164 K165 S166 N172	Y164-S168 VanDerWaalsContact O-CB 3.26Å; Y164-S168 WeakPolarHBondContact O-CB 3.4Å; Y164-S168 PolarHBondContact O-N 3.47Å; Y164-S168 PolarHBondContact O-OG 2.91Å; K165-S168 PolarHBondContact O-OG 3.14Å; S166-S168 PolarHBondContact O-N 3.29Å; S168-N172 PolarHBondContact O-ND2 3.29Å
169	R	46.7	Very low	53.2	Low	212 Å²	212	120.3 Å²	120.3	80%	0.8	60%	0.604	S	S	*	*	H	α-helix	trans	-77.4	-36.3	167.6	-79.8	180	170.1	-166.2	-3.4	112.3	K165 S166 N167	K165-R169 WeakPolarHBondContact O-CG 3.15Å; K165-R169 PolarHBondContact O-N 2.94Å; S166-R169 PolarHBondContact O-N 3.09Å; S166-R169 VanDerWaalsContact O-N 3.11Å; N167-R169 VanDerWaalsContact C-N 3.34Å
170	I	48	Very low	52.1	Low	123 Å²	123	122.2 Å²	122.2	63%	0.631	61%	0.611	S	S	*	*	H	α-helix	trans	-72.3	-34.6	178.6	-65.5	164.3	0	0	0	111.4	S166 N167 N172	S166-I170 WeakPolarHBondContact O-CG1 3.42Å; S166-I170 PolarHBondContact O-N 3.13Å; N167-I170 PolarHBondContact O-N 3.05Å; I170-N172 PolarHBondContact O-N 2.77Å
171	K	41.9	Very low	51.1	Low	169 Å²	169	122.7 Å²	122.7	74%	0.735	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	17.2	-177.6	-69.3	-171	172.8	-173.6	0	116.2	N167	N167-K171 WeakPolarHBondContact O-CB 3.38Å; N167-K171 PolarHBondContact O-N 2.8Å
172	N	42.9	Very low	50.2	Low	141 Å²	141	122.2 Å²	122.2	75%	0.754	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	6.6	171.2	-79.9	-22.1	0	0	0	113.6	S168 I170	S168-N172 PolarHBondContact O-ND2 3.29Å; I170-N172 PolarHBondContact O-N 2.77Å
173	A	44.8	Very low	49.3	Very low	81 Å²	81	124.6 Å²	124.6	67%	0.669	63%	0.626	S	S	*	*	S	Bend	trans	-86.6	-50	175.4	0	0	0	0	0	112.7
174	D	39.8	Very low	48.5	Very low	125 Å²	125	125.3 Å²	125.3	67%	0.668	63%	0.629	S	S	*	*	S	Bend	trans	-130	131	-167.4	-73.9	-66.6	0	0	0	114.9
175	H	40.5	Very low	48	Very low	182 Å²	182	125.2 Å²	125.2	84%	0.843	63%	0.632	S	S	*	*			trans	57.8	138.2	159.1	-68.1	-56.5	0	0	0	122.5
176	Q	34.8	Very low	47.4	Very low	189 Å²	189	126.3 Å²	126.3	88%	0.883	63%	0.632	S	S	*	*			trans	-71.4	120.4	174.7	-57.7	155.7	-9.8	0	0	110.7
177	M	36.5	Very low	47.4	Very low	183 Å²	183	130.1 Å²	130.1	90%	0.901	64%	0.644	S	S	*	*			trans	-159.6	145.8	146.1	-98	-52.7	164.5	0	0	109.4	R179	M177-R179 PolarHBondContact O-N 3.4Å
178	A	40.7	Very low	47.6	Very low	93 Å²	93	133.3 Å²	133.3	77%	0.769	66%	0.657	S	S	*	*			trans	13.4	97.8	171.7	0	0	0	0	0	117.5	P180	A178-P180 WeakPolarHBondContact O-CD 3.46Å
179	R	43.2	Very low	47.7	Very low	237 Å²	237	131.8 Å²	131.8	89%	0.894	65%	0.647	S	S	*	*			trans	-66.8	123.6	158.7	-77.2	-177.5	174.4	173.7	-0.9	108.8	M177 D181	M177-R179 PolarHBondContact O-N 3.4Å; R179-D181 PolarHBondContact O-N 2.89Å
180	P	48	Very low	48.4	Very low	98 Å²	98	125 Å²	125	64%	0.636	63%	0.629	S	S	*	*			trans	-62.7	129	150.1	-7.6	25	0	0	0	106.4	A178 G182	A178-P180 WeakPolarHBondContact O-CD 3.46Å; P180-G182 PolarHBondContact O-N 3.36Å; P180-G182 VanDerWaalsContact O-N 3.08Å
181	D	50.6	Low	49	Very low	83 Å²	83	121.8 Å²	121.8	44%	0.444	62%	0.615	S	S	.	*			trans	-69.6	114.8	177.9	-168.1	-10.7	0	0	0	108.5	R179 K183 E184	R179-D181 PolarHBondContact O-N 2.89Å; D181-K183 PolarHBondContact O-N 2.67Å; D181-K183 WeakPolarHBondContact OD1-CB 3.43Å; D181-K183 WeakPolarHBondContact OD1-CG 3.49Å; D181-K183 PolarHBondContact OD1-N 3.36Å; D181-E184 HydrophobicContact CB-CG 4.46Å; D181-E184 PolarHBondContact O-N 3.23Å
182	G	50	Low	49.8	Very low	24 Å²	24	117.2 Å²	117.2	25%	0.247	60%	0.603	C	S	.	*	H	α-helix	trans	-56.5	-21.9	176.8	0	0	0	0	0	112.4	P180 W186	P180-G182 PolarHBondContact O-N 3.36Å; P180-G182 VanDerWaalsContact O-N 3.08Å; G182-W186 WeakPolarHBondContact O-CB 3.24Å; G182-W186 VanDerWaalsContact O-CD1 3.25Å; G182-W186 PolarHBondContact O-N 3.18Å
183	K	53.3	Low	50.3	Low	155 Å²	155	112.4 Å²	112.4	67%	0.674	58%	0.577	S	S	*	*	H	α-helix	trans	-60.5	-44.1	168.8	-69.2	178.6	177.3	175	0	112.6	D181 W186 H187	D181-K183 PolarHBondContact O-N 2.67Å; D181-K183 WeakPolarHBondContact OD1-CB 3.43Å; D181-K183 WeakPolarHBondContact OD1-CG 3.49Å; D181-K183 PolarHBondContact OD1-N 3.36Å; K183-W186 PolarHBondContact O-N 3.48Å; K183-H187 VanDerWaalsContact O-CB 3.31Å; K183-H187 WeakPolarHBondContact O-CB 3.39Å; K183-H187 PolarHBondContact O-N 2.69Å
184	E	53.3	Low	51	Low	131 Å²	131	115.5 Å²	115.5	61%	0.612	58%	0.575	S	S	*	*	H	α-helix	trans	-65.3	-44.1	-178.4	-71.9	-167.3	115.6	0	0	111.9	D181 W186 H187 Q188	D181-E184 HydrophobicContact CB-CG 4.46Å; D181-E184 PolarHBondContact O-N 3.23Å; E184-W186 PolarHBondContact O-N 3.22Å; E184-H187 PolarHBondContact O-N 3.34Å; E184-H187 VanDerWaalsContact O-N 3.13Å; E184-Q188 WeakPolarHBondContact O-CG 3.34Å; E184-Q188 PolarHBondContact O-N 3.35Å
185	F	54.6	Low	52.1	Low	114 Å²	114	114.5 Å²	114.5	50%	0.5	57%	0.57	S	S	.	*	H	α-helix	trans	-61.1	-45.3	177.4	-167.8	-91	0	0	0	111.3	H187 Q188 A189	F185-H187 PolarHBondContact O-N 3.1Å; F185-Q188 PolarHBondContact O-N 2.96Å; F185-A189 WeakPolarHBondContact O-CB 3.46Å; F185-A189 PolarHBondContact O-N 3.19Å
186	W	54	Low	52.6	Low	138 Å²	138	108.6 Å²	108.6	52%	0.523	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-39.2	172.4	-87.2	116.2	0	0	0	113	L161 G182 K183 E184 A189 V190	L161-W186 HydrophobicContact CD1-CH2 4.36Å; L161-W186 HydrophobicContact CD1-CZ2 3.46Å; L161-W186 VanDerWaalsContact CD1-CZ2 3.46Å; L161-W186 HydrophobicContact CD2-CH2 3.72Å; L161-W186 HydrophobicContact CD2-CZ2 3.52Å; L161-W186 HydrophobicContact CG-CZ2 4.06Å; G182-W186 WeakPolarHBondContact O-CB 3.24Å; G182-W186 VanDerWaalsContact O-CD1 3.25Å; G182-W186 PolarHBondContact O-N 3.18Å; K183-W186 PolarHBondContact O-N 3.48Å; E184-W186 PolarHBondContact O-N 3.22Å; W186-A189 PolarHBondContact O-N 3.41Å; W186-V190 WeakPolarHBondContact O-CB 3.3Å; W186-V190 VanDerWaalsContact O-CG2 3.29Å; W186-V190 WeakPolarHBondContact O-CG2 3.48Å; W186-V190 PolarHBondContact O-N 3.14Å
187	H	62.7	Low	53.4	Low	135 Å²	135	102.3 Å²	102.3	63%	0.625	52%	0.523	S	S	*	.	H	α-helix	trans	-66.4	-40.9	178.6	-140.3	-49.5	0	0	0	111	K183 E184 F185 T191	K183-H187 VanDerWaalsContact O-CB 3.31Å; K183-H187 WeakPolarHBondContact O-CB 3.39Å; K183-H187 PolarHBondContact O-N 2.69Å; E184-H187 PolarHBondContact O-N 3.34Å; E184-H187 VanDerWaalsContact O-N 3.13Å; F185-H187 PolarHBondContact O-N 3.1Å; H187-T191 WeakPolarHBondContact O-CB 3.36Å; H187-T191 PolarHBondContact O-N 3.11Å; H187-T191 PolarHBondContact O-OG1 3.19Å
188	Q	62.7	Low	54.1	Low	140 Å²	140	95.8 Å²	95.8	65%	0.654	50%	0.498	S	S	*	.	H	α-helix	trans	-63.8	-48.4	174.5	-73.7	-174.8	1.2	0	0	111.3	E184 F185 V190 T191 C192	E184-Q188 WeakPolarHBondContact O-CG 3.34Å; E184-Q188 PolarHBondContact O-N 3.35Å; F185-Q188 PolarHBondContact O-N 2.96Å; Q188-V190 PolarHBondContact O-N 2.83Å; Q188-T191 PolarHBondContact O-N 3.09Å; Q188-C192 WeakPolarHBondContact O-CB 3.34Å; Q188-C192 PolarHBondContact O-N 3.41Å
189	A	53	Low	54.6	Low	14 Å²	14	94.2 Å²	94.2	12%	0.116	48%	0.482	C	S	.	.	H	α-helix	trans	-58.5	-49.8	177.7	0	0	0	0	0	112.1	L157 F185 W186 T191 C192 I193	L157-A189 HydrophobicContact CD1-CB 4.48Å; L157-A189 HydrophobicContact CD2-CB 4.11Å; F185-A189 WeakPolarHBondContact O-CB 3.46Å; F185-A189 PolarHBondContact O-N 3.19Å; W186-A189 PolarHBondContact O-N 3.41Å; A189-T191 VanDerWaalsContact C-N 3.32Å; A189-T191 PolarHBondContact O-N 3.02Å; A189-C192 PolarHBondContact O-N 2.94Å; A189-I193 WeakPolarHBondContact O-CG1 3.38Å; A189-I193 PolarHBondContact O-N 3.41Å
190	V	60.3	Low	54.8	Low	70 Å²	70	85 Å²	85	42%	0.424	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-35.1	177.8	171.4	0	0	0	0	112.1	W186 Q188 K194	W186-V190 WeakPolarHBondContact O-CB 3.3Å; W186-V190 VanDerWaalsContact O-CG2 3.29Å; W186-V190 WeakPolarHBondContact O-CG2 3.48Å; W186-V190 PolarHBondContact O-N 3.14Å; Q188-V190 PolarHBondContact O-N 2.83Å; V190-K194 WeakPolarHBondContact O-CB 3.27Å; V190-K194 PolarHBondContact O-N 2.89Å
191	T	62	Low	54.5	Low	56 Å²	56	82.7 Å²	82.7	34%	0.344	44%	0.444	S	S	.	.	H	α-helix	trans	-72.3	-36.9	177.1	-55.1	0	0	0	0	111.5	H187 Q188 A189 K194 N195	H187-T191 WeakPolarHBondContact O-CB 3.36Å; H187-T191 PolarHBondContact O-N 3.11Å; H187-T191 PolarHBondContact O-OG1 3.19Å; Q188-T191 PolarHBondContact O-N 3.09Å; A189-T191 VanDerWaalsContact C-N 3.32Å; A189-T191 PolarHBondContact O-N 3.02Å; T191-K194 PolarHBondContact O-N 3.19Å; T191-N195 WeakPolarHBondContact O-CB 3.45Å; T191-N195 PolarHBondContact O-N 3.1Å; T191-N195 PolarHBondContact O-ND2 3.3Å
192	C	58.6	Low	54.3	Low	72 Å²	72	87.1 Å²	87.1	49%	0.486	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-49.1	174.7	-162.1	0	0	0	0	111	Q188 A189 K194 N195 E196	Q188-C192 WeakPolarHBondContact O-CB 3.34Å; Q188-C192 PolarHBondContact O-N 3.41Å; A189-C192 PolarHBondContact O-N 2.94Å; C192-K194 PolarHBondContact O-N 3.33Å; C192-N195 PolarHBondContact O-N 2.93Å; C192-N195 VanDerWaalsContact O-N 3.13Å; C192-E196 PolarHBondContact O-N 3.33Å
193	I	53.4	Low	53.8	Low	40 Å²	40	92.6 Å²	92.6	21%	0.205	48%	0.483	C	S	.	.	H	α-helix	trans	-58.9	-44.6	174.5	-66.1	165.7	0	0	0	111.1	Y154 L157 A189 N195 E196 A197	Y154-I193 HydrophobicContact CE1-CD1 4.2Å; Y154-I193 HydrophobicContact CE2-CD1 4.49Å; Y154-I193 HydrophobicContact CE2-CG2 4.39Å; L157-I193 HydrophobicContact CD1-CD1 3.88Å; L157-I193 HydrophobicContact CD1-CG1 4.39Å; A189-I193 WeakPolarHBondContact O-CG1 3.38Å; A189-I193 PolarHBondContact O-N 3.41Å; I193-N195 VanDerWaalsContact C-N 3.32Å; I193-N195 PolarHBondContact O-N 2.79Å; I193-E196 PolarHBondContact O-N 3.24Å; I193-A197 WeakPolarHBondContact O-CB 3.26Å; I193-A197 PolarHBondContact O-N 2.84Å
194	K	59.5	Low	52.8	Low	146 Å²	146	91.4 Å²	91.4	64%	0.635	48%	0.478	S	S	*	.	H	α-helix	trans	-60.1	-39.7	175.2	-93.8	-175.2	170.4	-179.3	0	112.8	V190 T191 C192 A198	V190-K194 WeakPolarHBondContact O-CB 3.27Å; V190-K194 PolarHBondContact O-N 2.89Å; T191-K194 PolarHBondContact O-N 3.19Å; C192-K194 PolarHBondContact O-N 3.33Å; K194-A198 VanDerWaalsContact O-CB 3.23Å; K194-A198 WeakPolarHBondContact O-CB 3.36Å; K194-A198 PolarHBondContact O-N 2.96Å
195	N	63.6	Low	51.8	Low	105 Å²	105	92.9 Å²	92.9	56%	0.561	49%	0.489	S	S	*	.	H	α-helix	trans	-70.9	-35.8	-179.1	-73.3	-16.1	0	0	0	112.1	T191 C192 I193 S199	T191-N195 WeakPolarHBondContact O-CB 3.45Å; T191-N195 PolarHBondContact O-N 3.1Å; T191-N195 PolarHBondContact O-ND2 3.3Å; C192-N195 PolarHBondContact O-N 2.93Å; C192-N195 VanDerWaalsContact O-N 3.13Å; I193-N195 VanDerWaalsContact C-N 3.32Å; I193-N195 PolarHBondContact O-N 2.79Å; N195-S199 PolarHBondContact O-N 3.4Å
196	E	50.5	Low	50.5	Low	57 Å²	57	92.4 Å²	92.4	27%	0.266	50%	0.497	S	S	.	.	H	α-helix	trans	-72.9	-40	171.9	-71.7	-168.6	92.3	0	0	112.7	K153 C192 I193 A198 S199 L200	K153-E196 IonicContact NZ-OE1 2.66Å; K153-E196 PolarHBondContact NZ-OE1 3.06Å; K153-E196 IonicContact NZ-OE2 2.66Å; K153-E196 PolarHBondContact NZ-OE2 3.23Å; C192-E196 PolarHBondContact O-N 3.33Å; I193-E196 PolarHBondContact O-N 3.24Å; E196-A198 VanDerWaalsContact C-N 3.25Å; E196-A198 PolarHBondContact O-N 3.01Å; E196-S199 PolarHBondContact O-N 3.43Å; E196-S199 VanDerWaalsContact O-N 3.16Å; E196-S199 PolarHBondContact O-OG 2.84Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 2.84Å
197	A	50.2	Low	49.4	Very low	57 Å²	57	94.5 Å²	94.5	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-59.9	-38	171.8	0	0	0	0	0	111.7	I193 G201	I193-A197 WeakPolarHBondContact O-CB 3.26Å; I193-A197 PolarHBondContact O-N 2.84Å; A197-G201 PolarHBondContact O-N 3.42Å
198	A	52.4	Low	47.8	Very low	46 Å²	46	97.1 Å²	97.1	38%	0.38	53%	0.527	S	S	.	.	H	α-helix	trans	-73.1	-29.2	175.3	0	0	0	0	0	113.7	K194 E196 K202	K194-A198 VanDerWaalsContact O-CB 3.23Å; K194-A198 WeakPolarHBondContact O-CB 3.36Å; K194-A198 PolarHBondContact O-N 2.96Å; E196-A198 VanDerWaalsContact C-N 3.25Å; E196-A198 PolarHBondContact O-N 3.01Å; A198-K202 WeakPolarHBondContact O-CB 3.38Å; A198-K202 VanDerWaalsContact O-CG 3.24Å; A198-K202 WeakPolarHBondContact O-CG 3.27Å; A198-K202 PolarHBondContact O-N 2.92Å
199	S	51.2	Low	46.1	Very low	60 Å²	60	95.1 Å²	95.1	42%	0.42	54%	0.535	S	S	.	.	H	α-helix	trans	-73.8	-38.3	174	74.2	0	0	0	0	111.4	N195 E196 K202	N195-S199 PolarHBondContact O-N 3.4Å; E196-S199 PolarHBondContact O-N 3.43Å; E196-S199 VanDerWaalsContact O-N 3.16Å; E196-S199 PolarHBondContact O-OG 2.84Å; S199-K202 PolarHBondContact O-N 3.19Å
200	L	47.3	Very low	44.9	Very low	45 Å²	45	99.5 Å²	99.5	24%	0.236	57%	0.571	C	S	.	*	H	α-helix	trans	-62.6	-47.7	171.8	-71.5	164.5	0	0	0	111.6	N146 L150 E196 K202 N203	N146-L200 HydrophobicContact CB-CD2 3.83Å; N146-L200 WeakPolarHBondContact ND2-CD2 3.37Å; L150-L200 HydrophobicContact CD1-CD1 3.6Å; E196-L200 WeakPolarHBondContact O-CG 3.45Å; E196-L200 PolarHBondContact O-N 2.84Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.37Å; L200-N203 PolarHBondContact O-N 3.03Å
201	G	42.1	Very low	43.4	Very low	48 Å²	48	103 Å²	103	50%	0.495	58%	0.583	S	S	.	*	H	α-helix	trans	-62.1	-33.2	178.4	0	0	0	0	0	114.2	A197 N203 F204	A197-G201 PolarHBondContact O-N 3.42Å; G201-N203 VanDerWaalsContact C-N 3.26Å; G201-N203 PolarHBondContact O-N 2.89Å; G201-F204 PolarHBondContact O-N 3.3Å
202	K	45.8	Very low	41.8	Very low	177 Å²	177	107.9 Å²	107.9	77%	0.77	60%	0.599	S	S	*	*	H	α-helix	trans	-68.8	-19.3	179.2	-80.8	172.3	-179.1	-179.2	0	114.5	A198 S199 L200 F204	A198-K202 WeakPolarHBondContact O-CB 3.38Å; A198-K202 VanDerWaalsContact O-CG 3.24Å; A198-K202 WeakPolarHBondContact O-CG 3.27Å; A198-K202 PolarHBondContact O-N 2.92Å; S199-K202 PolarHBondContact O-N 3.19Å; L200-K202 VanDerWaalsContact C-N 3.31Å; L200-K202 PolarHBondContact O-N 3.37Å; K202-F204 VanDerWaalsContact C-N 3.34Å
203	N	39.5	Very low	40.4	Very low	138 Å²	138	109.7 Å²	109.7	74%	0.738	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	0.4	177.8	-69.1	-25	0	0	0	113.4	L200 G201	L200-N203 PolarHBondContact O-N 3.03Å; G201-N203 VanDerWaalsContact C-N 3.26Å; G201-N203 PolarHBondContact O-N 2.89Å
204	F	32.2	Very low	39.2	Very low	131 Å²	131	112.6 Å²	112.6	58%	0.575	64%	0.636	S	S	*	*			trans	-102.7	101.9	174.8	-83.1	-91.2	0	0	0	111.8	L143 G201 K202 P206	L143-F204 HydrophobicContact CD1-CZ 4.06Å; L143-F204 HydrophobicContact CD2-CE2 3.92Å; L143-F204 HydrophobicContact CD2-CZ 3.89Å; L143-F204 HydrophobicContact CG-CZ 4.27Å; G201-F204 PolarHBondContact O-N 3.3Å; K202-F204 VanDerWaalsContact C-N 3.34Å; F204-P206 WeakPolarHBondContact O-CD 3.39Å
205	L	31.4	Very low	37.8	Very low	161 Å²	161	111.3 Å²	111.3	84%	0.843	64%	0.641	S	S	*	*			trans	-60.2	121.6	162.9	-99.6	159.3	0	0	0	109.1	L207	L205-L207 PolarHBondContact O-N 3.5Å
206	P	28.9	Very low	36.2	Very low	104 Å²	104	111.7 Å²	111.7	68%	0.675	64%	0.643	S	S	*	*			trans	-72.5	118.9	-179.9	28	-33.3	0	0	0	110.4	F204 K208	F204-P206 WeakPolarHBondContact O-CD 3.39Å; P206-K208 PolarHBondContact O-N 2.96Å
207	L	30	Very low	35.2	Very low	183 Å²	183	117.1 Å²	117.1	96%	0.958	67%	0.666	S	S	*	*			trans	-66.4	82.8	167.7	-81.6	113.3	0	0	0	110.3	L205 A209	L205-L207 PolarHBondContact O-N 3.5Å; L207-A209 PolarHBondContact O-N 3.36Å
208	K	29	Very low	34.2	Very low	189 Å²	189	119.7 Å²	119.7	82%	0.822	68%	0.68	S	S	*	*			trans	-67.9	126.6	164.6	-82.5	-171	172.1	-176.7	0	109.1	P206 A210	P206-K208 PolarHBondContact O-N 2.96Å; K208-A210 PolarHBondContact O-N 2.88Å
209	A	27.4	Very low	33.1	Very low	98 Å²	98	121.7 Å²	121.7	81%	0.81	69%	0.692	S	S	*	*			trans	-63	132.1	173.1	0	0	0	0	0	110.6	L207	L207-A209 PolarHBondContact O-N 3.36Å
210	A	28.4	Very low	32	Very low	107 Å²	107	126.7 Å²	126.7	88%	0.884	71%	0.713	S	S	*	*			trans	-108.8	84.8	173.9	0	0	0	0	0	109.6	K208	K208-A210 PolarHBondContact O-N 2.88Å
211	E	27.6	Very low	31	Very low	143 Å²	143	129 Å²	129	67%	0.668	73%	0.733	S	S	*	*			trans	-80.1	137.9	167.2	-76	-159.4	110.3	0	0	111.4
212	K	28.3	Very low	30.3	Very low	159 Å²	159	132.2 Å²	132.2	69%	0.691	75%	0.748	S	S	*	*			trans	70.6	161.6	152.7	-60.9	150.6	-169.9	154.5	0	117.7
213	S	30	Very low	29.4	Very low	109 Å²	109	129.7 Å²	129.7	76%	0.762	75%	0.747	S	S	*	*			trans	58.2	125.2	-175.3	53.4	0	0	0	0	116.2
214	S	27.9	Very low	28.8	Very low	101 Å²	101	133.6 Å²	133.6	71%	0.706	75%	0.751	S	S	*	*			cis	99.7	129	20.7	79.7	0	0	0	0	115.7
215	T	30.7	Very low	28.7	Very low	120 Å²	120	134.7 Å²	134.7	74%	0.736	76%	0.758	S	S	*	*			trans	70.4	124.3	160	39.3	0	0	0	0	120.6
216	D	29	Very low	28.5	Very low	112 Å²	112	134.2 Å²	134.2	60%	0.599	75%	0.752	S	S	*	*			trans	76.9	100.6	145.2	-69.7	-66.7	0	0	0	123.7
217	K	29.9	Very low	28.3	Very low	171 Å²	171	138.8 Å²	138.8	74%	0.743	76%	0.763	S	S	*	*				51.6	116.2	121.2	-61.2	179.8	-170.3	109.6	0	120.3
218	S	29	Very low	28.4	Very low	111 Å²	111	136.3 Å²	136.3	78%	0.776	76%	0.758	S	S	*	*			trans	69.9	146.4	136.2	78.7	0	0	0	0	117.3
219	S	30.4	Very low	28.6	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	76%	0.763	S	S	*	*			cis	-154.8	160.1	14.9	-48.6	0	0	0	0	111.2
220	L	26.8	Very low	28.6	Very low	164 Å²	164	130.7 Å²	130.7	86%	0.859	76%	0.764	S	S	*	*			trans	65.2	154.3	150.8	-66.3	161	0	0	0	117.7
221	S	26.8	Very low	28.6	Very low	94 Å²	94	130.3 Å²	130.3	66%	0.657	76%	0.76	S	S	*	*			cis	-160.5	157.5	-10.6	42.7	0	0	0	0	112
222	S	27.1	Very low	28.6	Very low	115 Å²	115	129.8 Å²	129.8	80%	0.804	77%	0.767	S	S	*	*			trans	68.2	155	171.6	79.6	0	0	0	0	115.8
223	V	28	Very low	28.4	Very low	124 Å²	124	128.5 Å²	128.5	75%	0.752	77%	0.772	S	S	*	*			cis	-131.1	124.8	17.7	175.2	0	0	0	0	112.9
224	R	26.7	Very low	28.3	Very low	220 Å²	220	131.4 Å²	131.4	83%	0.83	77%	0.773	S	S	*	*			trans	29.9	145.6	145.4	-72.7	-175	176.2	178.6	-1	124.5
225	Q	28.6	Very low	28.2	Very low	154 Å²	154	135.3 Å²	135.3	72%	0.72	78%	0.78	S	S	*	*			trans	82.3	133.7	144.2	-78.9	-174.7	-48.4	0	0	120.6
226	E	28.2	Very low	28	Very low	151 Å²	151	135.7 Å²	135.7	71%	0.706	78%	0.782	S	S	*	*			cis	-163.3	115.3	-20.3	-138.6	172.2	-113.2	0	0	111.3
227	H	25.5	Very low	27.8	Very low	200 Å²	200	137.4 Å²	137.4	93%	0.926	79%	0.792	S	S	*	*			trans	-155.3	115.3	172.3	-96.8	13.6	0	0	0	111
228	P	32.3	Very low	27.6	Very low	131 Å²	131	137.1 Å²	137.1	85%	0.851	80%	0.796	S	S	*	*			trans	-119.3	141.4	171.9	36.7	-25.6	0	0	0	113.5
229	G	33	Very low	27.5	Very low	89 Å²	89	143 Å²	143	92%	0.918	80%	0.801	S	S	*	*			trans	158.9	55.2	175.5	0	0	0	0	0	115.2
230	G	26.8	Very low	27.4	Very low	80 Å²	80	148 Å²	148	83%	0.825	81%	0.806	S	S	*	*			trans	-122.8	167.9	-177.1	0	0	0	0	0	114.2
231	A	29	Very low	27.4	Very low	99 Å²	99	147.7 Å²	147.7	82%	0.818	80%	0.801	S	S	*	*			trans	-140	106.5	173.6	0	0	0	0	0	111.6
232	V	26.8	Very low	27.5	Very low	133 Å²	133	152 Å²	152	81%	0.806	81%	0.811	S	S	*	*			trans	16.4	126	154.2	-172.4	0	0	0	0	119.2	E234	V232-E234 HydrophobicContact CG1-CG 4.27Å
233	V	24.9	Very low	27.5	Very low	132 Å²	132	151.9 Å²	151.9	80%	0.8	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-96.4	121.7	159.3	175.5	0	0	0	0	109.2
234	E	27.9	Very low	27.3	Very low	169 Å²	169	152.2 Å²	152.2	79%	0.79	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-89.5	136	168.5	-74.4	-163.3	124.9	0	0	112	V232	V232-E234 HydrophobicContact CG1-CG 4.27Å
235	H	25.6	Very low	27.4	Very low	183 Å²	183	150.6 Å²	150.6	85%	0.847	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.5	120.4	169.5	-85.2	-96.6	0	0	0	110.6
236	V	26.2	Very low	27.6	Very low	128 Å²	128	152.6 Å²	152.6	78%	0.776	81%	0.81	S	S	*	*			trans	-118.6	131	166.6	-177.1	0	0	0	0	110.2
237	N	24.6	Very low	27.7	Very low	149 Å²	149	151.2 Å²	151.2	80%	0.797	81%	0.814	S	S	*	*			trans	-78.6	132.2	-172.4	-72.1	-76.4	0	0	0	112.5	R239	N237-R239 PolarHBondContact O-N 3.33Å
238	I	25.5	Very low	27.8	Very low	164 Å²	164	146.2 Å²	146.2	84%	0.841	79%	0.794	S	S	*	*			trans	-87.4	106.5	165.3	-57.4	176.2	0	0	0	108.2
239	R	28	Very low	27.6	Very low	234 Å²	234	146.8 Å²	146.8	88%	0.883	79%	0.79	S	S	*	*			trans	-83.1	159.4	165.7	-91.4	-172.6	171.7	178.8	-1.3	111	N237	N237-R239 PolarHBondContact O-N 3.33Å
240	R	26.9	Very low	27.3	Very low	194 Å²	194	151.1 Å²	151.1	73%	0.732	78%	0.784	S	S	*	*			trans	-57.4	159.5	159.3	-62	177.8	-179.7	174.3	-2	108.4	E275	R240-E275 IonicContact NH2-OE1 3.75Å
241	E	27.8	Very low	27.3	Very low	159 Å²	159	157.4 Å²	157.4	74%	0.743	78%	0.783	S	S	*	*			cis	-164.6	155.6	45.1	-144.4	126.9	-111.3	0	0	111.8
242	E	27.9	Very low	27.3	Very low	185 Å²	185	158.2 Å²	158.2	86%	0.864	78%	0.777	S	S	*	*				164.6	164.2	123.7	-82.7	-145.5	141.1	0	0	111.3
243	T	26.6	Very low	27.4	Very low	111 Å²	111	158.5 Å²	158.5	68%	0.681	77%	0.774	S	S	*	*			trans	-118.2	137.4	-157.9	51.7	0	0	0	0	114.7	K245	T243-K245 PolarHBondContact O-N 2.96Å; T243-K245 VanDerWaalsContact O-N 3.12Å
244	P	25	Very low	27.7	Very low	132 Å²	132	161.2 Å²	161.2	86%	0.857	78%	0.776	S	S	*	*			trans	-78.1	94.6	170.6	31.7	-32.9	0	0	0	110.6	R246	P244-R246 PolarHBondContact O-N 3.06Å
245	K	27.7	Very low	28.1	Very low	186 Å²	186	157.8 Å²	157.8	81%	0.809	77%	0.77	S	S	*	*			trans	-78.7	112.9	170.2	-80.4	-176.8	177.7	174.5	0	111.2	T243	T243-K245 PolarHBondContact O-N 2.96Å; T243-K245 VanDerWaalsContact O-N 3.12Å
246	R	33.2	Very low	28.5	Very low	196 Å²	196	158.2 Å²	158.2	74%	0.74	77%	0.773	S	S	*	*			trans	-74.6	146	155.8	-174.6	-178.9	-179.9	150.4	4.4	108.7	P244 D248	P244-R246 PolarHBondContact O-N 3.06Å; R246-D248 IonicContact CZ-OD1 3.41Å; R246-D248 IonicContact CZ-OD2 3.39Å; R246-D248 IonicContact NE-OD1 2.73Å; R246-D248 PolarHBondContact NE-OD1 2.92Å; R246-D248 VanDerWaalsContact NE-OD1 3.17Å; R246-D248 IonicContact NE-OD2 3.63Å; R246-D248 PolarHBondContact NE-OD2 3.29Å; R246-D248 IonicContact NH2-OD1 3.69Å; R246-D248 PolarHBondContact NH2-OD1 3.2Å; R246-D248 IonicContact NH2-OD2 2.68Å
247	P	30	Very low	28.9	Very low	121 Å²	121	157.5 Å²	157.5	79%	0.786	77%	0.771	S	S	*	*			trans	-135.9	151	132.2	36.3	-26	0	0	0	112.9
248	D	27.8	Very low	29.4	Very low	95 Å²	95	156.9 Å²	156.9	51%	0.508	77%	0.767	S	S	.	*			trans	-95.4	141.1	171.6	-55.6	-93.9	0	0	0	110.1	R246	R246-D248 IonicContact CZ-OD1 3.41Å; R246-D248 IonicContact CZ-OD2 3.39Å; R246-D248 IonicContact NE-OD1 2.73Å; R246-D248 PolarHBondContact NE-OD1 2.92Å; R246-D248 VanDerWaalsContact NE-OD1 3.17Å; R246-D248 IonicContact NE-OD2 3.63Å; R246-D248 PolarHBondContact NE-OD2 3.29Å; R246-D248 IonicContact NH2-OD1 3.69Å; R246-D248 PolarHBondContact NH2-OD1 3.2Å; R246-D248 IonicContact NH2-OD2 2.68Å
249	N	27.5	Very low	29.8	Very low	144 Å²	144	156.5 Å²	156.5	77%	0.77	77%	0.765	S	S	*	*			trans	62.9	155	151.9	-61.2	-35.3	0	0	0	122.6
250	F	27	Very low	30	Very low	179 Å²	179	149 Å²	149	79%	0.785	75%	0.753	S	S	*	*			trans	65.9	101.4	161.1	-74.5	-69.7	0	0	0	122
251	R	26.9	Very low	30.3	Very low	213 Å²	213	148.4 Å²	148.4	80%	0.804	76%	0.759	S	S	*	*				53.4	109.9	127	-81.2	-171.2	172.5	-176.8	-2.9	120.8
252	T	29	Very low	30.5	Very low	115 Å²	115	146.1 Å²	146.1	71%	0.706	76%	0.756	S	S	*	*				72.1	121.4	128.8	56.2	0	0	0	0	122
253	N	29.7	Very low	30.9	Very low	139 Å²	139	144.5 Å²	144.5	74%	0.743	75%	0.751	S	S	*	*			trans	92.8	102.9	135.4	-66.1	-5.5	0	0	0	121.8
254	K	31.4	Very low	31.1	Very low	190 Å²	190	144.3 Å²	144.3	83%	0.826	75%	0.751	S	S	*	*				89.8	140.7	128.4	-70.8	-169.9	172.5	-169.6	0	121.8
255	S	35.9	Very low	31.5	Very low	97 Å²	97	146.5 Å²	146.5	68%	0.678	75%	0.747	S	S	*	*			trans	62.2	90.5	149.8	52.1	0	0	0	0	120.4
256	E	34.1	Very low	31.8	Very low	192 Å²	192	145.3 Å²	145.3	90%	0.897	75%	0.749	S	S	*	*				69.9	159.3	112.3	-74.1	177.9	146.2	0	0	121.3
257	P	35.5	Very low	31.8	Very low	113 Å²	113	139.4 Å²	139.4	73%	0.734	75%	0.749	S	S	*	*			trans	-120.4	-175.6	-149.8	43.6	-30.9	0	0	0	114.5
258	D	33.4	Very low	31.9	Very low	136 Å²	136	143 Å²	143	73%	0.727	75%	0.752	S	S	*	*				154.3	158.8	106	-145	-11.6	0	0	0	112.7
259	I	34.5	Very low	32.2	Very low	155 Å²	155	146 Å²	146	80%	0.795	77%	0.768	S	S	*	*			trans	64.3	151.2	162.1	-58.7	161	0	0	0	117.4
260	A	32.5	Very low	32.7	Very low	77 Å²	77	147.2 Å²	147.2	64%	0.636	77%	0.769	S	S	*	*			cis	-175	154.5	-46.6	0	0	0	0	0	108.1
261	E	33	Very low	33.1	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	76%	0.762	S	S	*	*			trans	58.8	165	165.4	-69.3	-168.9	145	0	0	117.7
262	T	32	Very low	33.7	Very low	110 Å²	110	141.2 Å²	141.2	68%	0.675	76%	0.756	S	S	*	*			cis	-149.7	176.4	4.6	-14.6	0	0	0	0	111.9
263	I	35.5	Very low	34.3	Very low	151 Å²	151	139.7 Å²	139.7	77%	0.774	75%	0.75	S	S	*	*			trans	82	114.9	152	-68.9	158.7	0	0	0	120.3
264	T	32.1	Very low	35	Very low	108 Å²	108	138.3 Å²	138.3	66%	0.663	74%	0.742	S	S	*	*			trans	-54.5	163.5	162.6	62.7	0	0	0	0	114.2
265	K	33.1	Very low	35.6	Very low	178 Å²	178	133.7 Å²	133.7	77%	0.774	72%	0.724	S	S	*	*				176.6	162.1	70.4	-128.1	161.5	-172.2	172	0	112
266	N	32.7	Very low	35.9	Very low	160 Å²	160	135.1 Å²	135.1	86%	0.856	72%	0.723	S	S	*	*			trans	65.6	142.7	163.9	-59.7	-6	0	0	0	117.7
267	G	33.9	Very low	36.6	Very low	72 Å²	72	130 Å²	130	74%	0.742	70%	0.699	S	S	*	*			trans	141.3	17.3	-179.8	0	0	0	0	0	117.5
268	K	31.8	Very low	37.3	Very low	196 Å²	196	127 Å²	127	85%	0.852	68%	0.681	S	S	*	*			trans	-74.7	132.1	165.3	-73.4	-175.7	176.9	-178.5	0	109.2
269	D	35.3	Very low	37.9	Very low	158 Å²	158	123 Å²	123	85%	0.845	67%	0.667	S	S	*	*	S	Bend	trans	166.3	-16.2	136.8	-83.8	-6.7	0	0	0	113.6
270	Q	37.2	Very low	38.6	Very low	170 Å²	170	124 Å²	124	79%	0.794	66%	0.661	S	S	*	*	S	Bend	trans	-100.1	-9.9	-178.6	-67.4	-170.8	-4.3	0	0	116.1
271	L	35.5	Very low	40	Very low	121 Å²	121	126.5 Å²	126.5	63%	0.634	66%	0.657	S	S	*	*	H	α-helix	trans	-75.5	-33.2	-171.4	-86.2	160.5	0	0	0	114.9	S273 N274 E275	L271-S273 PolarHBondContact O-N 3.05Å; L271-N274 PolarHBondContact O-N 3.13Å; L271-E275 PolarHBondContact O-N 3.36Å
272	H	38.8	Very low	40.9	Very low	146 Å²	146	126.5 Å²	126.5	68%	0.676	65%	0.649	S	S	*	*	H	α-helix	trans	-73.7	-22.9	-173.3	-69.4	-39.3	0	0	0	114.6	E275 L276	H272-E275 IonicContact CE1-OE2 3.74Å; H272-E275 IonicContact ND1-OE2 3.62Å; H272-E275 PolarHBondContact ND1-OE2 3.15Å; H272-L276 VanDerWaalsContact O-CB 3.23Å; H272-L276 WeakPolarHBondContact O-CB 3.3Å; H272-L276 PolarHBondContact O-N 3.11Å
273	S	42.5	Very low	41.6	Very low	82 Å²	82	127.1 Å²	127.1	57%	0.573	65%	0.648	S	S	*	*	H	α-helix	trans	-65.6	-49.3	170	-168.4	0	0	0	0	110.5	L271 L276 E277	L271-S273 PolarHBondContact O-N 3.05Å; S273-L276 PolarHBondContact O-N 2.77Å; S273-E277 VanDerWaalsContact O-CB 3.31Å; S273-E277 WeakPolarHBondContact O-CB 3.42Å; S273-E277 PolarHBondContact O-N 3.09Å
274	N	43.5	Very low	42.1	Very low	110 Å²	110	124.5 Å²	124.5	59%	0.588	64%	0.636	S	S	*	*	H	α-helix	trans	-68.8	-36	-178.8	-75.8	-35.8	0	0	0	113.2	L271 S278	L271-N274 PolarHBondContact O-N 3.13Å; N274-S278 WeakPolarHBondContact O-CB 3.42Å; N274-S278 PolarHBondContact O-N 3.23Å
275	E	43.8	Very low	43	Very low	93 Å²	93	122.7 Å²	122.7	44%	0.435	63%	0.627	S	S	.	*	H	α-helix	trans	-64.9	-45.2	171.4	-77.3	-170.9	130.5	0	0	111.8	R240 L271 H272 S278 A279	R240-E275 IonicContact NH2-OE1 3.75Å; L271-E275 PolarHBondContact O-N 3.36Å; H272-E275 IonicContact CE1-OE2 3.74Å; H272-E275 IonicContact ND1-OE2 3.62Å; H272-E275 PolarHBondContact ND1-OE2 3.15Å; E275-S278 PolarHBondContact O-N 3.37Å; E275-A279 VanDerWaalsContact O-CB 3.29Å; E275-A279 WeakPolarHBondContact O-CB 3.41Å; E275-A279 PolarHBondContact O-N 2.86Å
276	L	43.7	Very low	43.4	Very low	127 Å²	127	117.9 Å²	117.9	67%	0.665	61%	0.613	S	S	*	*	H	α-helix	trans	-69.2	-38.1	-179.6	-158.9	96.5	0	0	0	111.9	H272 S273 A279 R280	H272-L276 VanDerWaalsContact O-CB 3.23Å; H272-L276 WeakPolarHBondContact O-CB 3.3Å; H272-L276 PolarHBondContact O-N 3.11Å; S273-L276 PolarHBondContact O-N 2.77Å; L276-A279 PolarHBondContact O-N 2.92Å; L276-R280 VanDerWaalsContact O-CB 3.27Å; L276-R280 WeakPolarHBondContact O-CB 3.39Å; L276-R280 PolarHBondContact O-N 3.22Å
277	E	48.2	Very low	43.6	Very low	84 Å²	84	112.2 Å²	112.2	39%	0.393	59%	0.588	S	S	.	*	H	α-helix	trans	-74.2	-34.8	176.7	-157.5	-171.8	141.9	0	0	111.8	S273 R280 K281	S273-E277 VanDerWaalsContact O-CB 3.31Å; S273-E277 WeakPolarHBondContact O-CB 3.42Å; S273-E277 PolarHBondContact O-N 3.09Å; E277-R280 PolarHBondContact O-N 3.4Å; E277-K281 HydrophobicContact CG-CD 4.3Å; E277-K281 VanDerWaalsContact O-CB 3.25Å; E277-K281 WeakPolarHBondContact O-CB 3.32Å; E277-K281 VanDerWaalsContact O-CG 3.28Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 3.15Å; E277-K281 WeakPolarHBondContact OE1-CE 3.29Å; E277-K281 IonicContact OE1-NZ 3.22Å; E277-K281 PolarHBondContact OE1-NZ 3.43Å
278	S	50.7	Low	44.2	Very low	52 Å²	52	111.3 Å²	111.3	36%	0.364	57%	0.574	S	S	.	*	H	α-helix	trans	-62.9	-44.7	168.8	179.6	0	0	0	0	111.1	N274 E275 K281 R282	N274-S278 WeakPolarHBondContact O-CB 3.42Å; N274-S278 PolarHBondContact O-N 3.23Å; E275-S278 PolarHBondContact O-N 3.37Å; S278-K281 PolarHBondContact O-N 2.82Å; S278-R282 WeakPolarHBondContact O-CB 3.41Å; S278-R282 VanDerWaalsContact O-CG 3.29Å; S278-R282 WeakPolarHBondContact O-CG 3.45Å; S278-R282 PolarHBondContact O-N 3.5Å
279	A	46	Very low	44.7	Very low	51 Å²	51	106.8 Å²	106.8	42%	0.421	56%	0.557	S	S	.	*	H	α-helix	trans	-60.5	-46.4	172.8	0	0	0	0	0	111.1	E275 L276 K281 R282 L283	E275-A279 VanDerWaalsContact O-CB 3.29Å; E275-A279 WeakPolarHBondContact O-CB 3.41Å; E275-A279 PolarHBondContact O-N 2.86Å; L276-A279 PolarHBondContact O-N 2.92Å; A279-K281 PolarHBondContact O-N 3.34Å; A279-R282 CarbonylContact O-C 3.59Å; A279-R282 PolarHBondContact O-N 2.9Å; A279-L283 WeakPolarHBondContact O-CB 3.34Å; A279-L283 PolarHBondContact O-N 3.21Å
280	R	49.6	Very low	44.9	Very low	175 Å²	175	104 Å²	104	66%	0.66	54%	0.541	S	S	*	.	H	α-helix	trans	-66.1	-37	178.5	-160.2	174.7	-168	179.9	3.7	112.5	L276 E277 L283 N284	L276-R280 VanDerWaalsContact O-CB 3.27Å; L276-R280 WeakPolarHBondContact O-CB 3.39Å; L276-R280 PolarHBondContact O-N 3.22Å; E277-R280 PolarHBondContact O-N 3.4Å; R280-L283 PolarHBondContact O-N 2.72Å; R280-N284 WeakPolarHBondContact O-CB 3.43Å; R280-N284 PolarHBondContact O-N 3.07Å
281	K	60	Low	44.9	Very low	130 Å²	130	99.4 Å²	99.4	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-67.6	-38.5	171.9	-78.2	165.5	169.9	165.1	0	111.7	E277 S278 A279 S285	E277-K281 HydrophobicContact CG-CD 4.3Å; E277-K281 VanDerWaalsContact O-CB 3.25Å; E277-K281 WeakPolarHBondContact O-CB 3.32Å; E277-K281 VanDerWaalsContact O-CG 3.28Å; E277-K281 WeakPolarHBondContact O-CG 3.48Å; E277-K281 PolarHBondContact O-N 3.15Å; E277-K281 WeakPolarHBondContact OE1-CE 3.29Å; E277-K281 IonicContact OE1-NZ 3.22Å; E277-K281 PolarHBondContact OE1-NZ 3.43Å; S278-K281 PolarHBondContact O-N 2.82Å; A279-K281 PolarHBondContact O-N 3.34Å; K281-S285 WeakPolarHBondContact O-CB 3.19Å; K281-S285 PolarHBondContact O-N 3.21Å
282	R	51.9	Low	45.1	Very low	182 Å²	182	101.9 Å²	101.9	69%	0.687	53%	0.53	S	S	*	.	H	α-helix	trans	-67.4	-42.5	172.3	-74.6	174	178.6	-168.1	-0.3	112.1	S278 A279 S285 V286	S278-R282 WeakPolarHBondContact O-CB 3.41Å; S278-R282 VanDerWaalsContact O-CG 3.29Å; S278-R282 WeakPolarHBondContact O-CG 3.45Å; S278-R282 PolarHBondContact O-N 3.5Å; A279-R282 CarbonylContact O-C 3.59Å; A279-R282 PolarHBondContact O-N 2.9Å; R282-S285 WeakPolarHBondContact O-CB 3.44Å; R282-S285 PolarHBondContact O-N 3Å; R282-V286 WeakPolarHBondContact O-CB 3.27Å; R282-V286 WeakPolarHBondContact O-CG2 3.45Å; R282-V286 PolarHBondContact O-N 2.96Å
283	L	46.8	Very low	44.8	Very low	123 Å²	123	103 Å²	103	64%	0.644	53%	0.533	S	S	*	.	H	α-helix	trans	-69.8	-40.6	179.2	-141.6	160.1	0	0	0	110.8	A279 R280 V286 A287	A279-L283 WeakPolarHBondContact O-CB 3.34Å; A279-L283 PolarHBondContact O-N 3.21Å; R280-L283 PolarHBondContact O-N 2.72Å; L283-V286 PolarHBondContact O-N 3.22Å; L283-A287 WeakPolarHBondContact O-CB 3.39Å; L283-A287 PolarHBondContact O-N 3.01Å
284	N	47.8	Very low	44.2	Very low	97 Å²	97	101.7 Å²	101.7	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-66.1	-34.5	170.2	-72.9	-5.4	0	0	0	112.4	R280 A288	R280-N284 WeakPolarHBondContact O-CB 3.43Å; R280-N284 PolarHBondContact O-N 3.07Å; N284-A288 WeakPolarHBondContact O-CB 3.14Å; N284-A288 PolarHBondContact O-N 3.09Å
285	S	49.8	Very low	43.4	Very low	70 Å²	70	106.2 Å²	106.2	49%	0.49	54%	0.536	S	S	.	.	H	α-helix	trans	-67.4	-45.2	173.7	179.8	0	0	0	0	111.6	K281 R282 A288 M289	K281-S285 WeakPolarHBondContact O-CB 3.19Å; K281-S285 PolarHBondContact O-N 3.21Å; R282-S285 WeakPolarHBondContact O-CB 3.44Å; R282-S285 PolarHBondContact O-N 3Å; S285-A288 PolarHBondContact O-N 3.21Å; S285-M289 VanDerWaalsContact O-CB 3.27Å; S285-M289 WeakPolarHBondContact O-CB 3.43Å; S285-M289 PolarHBondContact O-N 2.97Å
286	V	41.5	Very low	42.8	Very low	77 Å²	77	107.4 Å²	107.4	47%	0.467	55%	0.549	S	S	.	.	H	α-helix	trans	-64.5	-43.3	174.3	169.7	0	0	0	0	110.8	R282 L283 M289 I290	R282-V286 WeakPolarHBondContact O-CB 3.27Å; R282-V286 WeakPolarHBondContact O-CG2 3.45Å; R282-V286 PolarHBondContact O-N 2.96Å; L283-V286 PolarHBondContact O-N 3.22Å; V286-M289 CarbonylContact O-C 3.6Å; V286-M289 PolarHBondContact O-N 3.45Å; V286-I290 HydrophobicContact CG1-CD1 3.76Å; V286-I290 HydrophobicContact CG1-CG1 4.42Å; V286-I290 WeakPolarHBondContact O-CB 3.23Å; V286-I290 VanDerWaalsContact O-CG1 3.25Å; V286-I290 WeakPolarHBondContact O-CG1 3.41Å; V286-I290 PolarHBondContact O-N 3.22Å
287	A	38.2	Very low	42	Very low	41 Å²	41	108 Å²	108	34%	0.339	55%	0.548	S	S	.	.	H	α-helix	trans	-63	-43.7	174.3	0	0	0	0	0	111.8	L283 M289 I290 V291	L283-A287 WeakPolarHBondContact O-CB 3.39Å; L283-A287 PolarHBondContact O-N 3.01Å; A287-M289 VanDerWaalsContact C-N 3.31Å; A287-M289 PolarHBondContact O-N 2.84Å; A287-I290 PolarHBondContact O-N 3.44Å; A287-V291 WeakPolarHBondContact O-CB 3.4Å; A287-V291 VanDerWaalsContact O-CG2 3.29Å; A287-V291 WeakPolarHBondContact O-CG2 3.08Å; A287-V291 PolarHBondContact O-N 3.28Å
288	A	45.6	Very low	40.9	Very low	53 Å²	53	112.9 Å²	112.9	44%	0.438	57%	0.574	S	S	.	*	H	α-helix	trans	-66.4	-30.9	174.6	0	0	0	0	0	112.5	N284 S285 K292	N284-A288 WeakPolarHBondContact O-CB 3.14Å; N284-A288 PolarHBondContact O-N 3.09Å; S285-A288 PolarHBondContact O-N 3.21Å; A288-K292 VanDerWaalsContact O-CB 3.26Å; A288-K292 WeakPolarHBondContact O-CB 3.41Å; A288-K292 WeakPolarHBondContact O-CG 3.2Å; A288-K292 PolarHBondContact O-N 2.85Å
289	M	42.8	Very low	39.7	Very low	101 Å²	101	114.9 Å²	114.9	50%	0.498	59%	0.593	S	S	.	*	H	α-helix	trans	-73.5	-38.5	173.6	-165	-167.9	-53.7	0	0	111.7	S285 V286 A287 K293	S285-M289 VanDerWaalsContact O-CB 3.27Å; S285-M289 WeakPolarHBondContact O-CB 3.43Å; S285-M289 PolarHBondContact O-N 2.97Å; V286-M289 CarbonylContact O-C 3.6Å; V286-M289 PolarHBondContact O-N 3.45Å; A287-M289 VanDerWaalsContact C-N 3.31Å; A287-M289 PolarHBondContact O-N 2.84Å; M289-K293 WeakPolarHBondContact O-CB 3.46Å; M289-K293 WeakPolarHBondContact O-CG 3.5Å; M289-K293 PolarHBondContact O-N 3.43Å
290	I	38.7	Very low	38.7	Very low	100 Å²	100	120.4 Å²	120.4	51%	0.513	62%	0.615	S	S	.	*	H	α-helix	trans	-64.9	-45.5	172	-71.7	166	0	0	0	109.9	V286 A287 K293 A294	V286-I290 HydrophobicContact CG1-CD1 3.76Å; V286-I290 HydrophobicContact CG1-CG1 4.42Å; V286-I290 WeakPolarHBondContact O-CB 3.23Å; V286-I290 VanDerWaalsContact O-CG1 3.25Å; V286-I290 WeakPolarHBondContact O-CG1 3.41Å; V286-I290 PolarHBondContact O-N 3.22Å; A287-I290 PolarHBondContact O-N 3.44Å; I290-K293 CarbonylContact O-C 3.5Å; I290-K293 PolarHBondContact O-N 2.87Å; I290-A294 VanDerWaalsContact O-CB 3.25Å; I290-A294 WeakPolarHBondContact O-CB 3.33Å; I290-A294 PolarHBondContact O-N 3.17Å
291	V	37.1	Very low	37.7	Very low	73 Å²	73	117.3 Å²	117.3	44%	0.442	62%	0.618	S	S	.	*	H	α-helix	trans	-68	-37.6	176.8	171	0	0	0	0	111.8	A287 K293 A294 R295	A287-V291 WeakPolarHBondContact O-CB 3.4Å; A287-V291 VanDerWaalsContact O-CG2 3.29Å; A287-V291 WeakPolarHBondContact O-CG2 3.08Å; A287-V291 PolarHBondContact O-N 3.28Å; V291-K293 VanDerWaalsContact C-N 3.35Å; V291-A294 PolarHBondContact O-N 2.64Å; V291-R295 WeakPolarHBondContact O-CB 3.3Å; V291-R295 VanDerWaalsContact O-CG 3.27Å; V291-R295 WeakPolarHBondContact O-CG 3.37Å; V291-R295 PolarHBondContact O-N 3.31Å; V291-R295 VanDerWaalsContact O-N 3.14Å
292	K	39.4	Very low	36.2	Very low	173 Å²	173	116.1 Å²	116.1	75%	0.752	62%	0.623	S	S	*	*	H	α-helix	trans	-65	-35.6	170.2	-84.5	-172.3	172.5	-175.9	0	112.4	A288	A288-K292 VanDerWaalsContact O-CB 3.26Å; A288-K292 WeakPolarHBondContact O-CB 3.41Å; A288-K292 WeakPolarHBondContact O-CG 3.2Å; A288-K292 PolarHBondContact O-N 2.85Å
293	K	33.5	Very low	34.9	Very low	169 Å²	169	117.4 Å²	117.4	74%	0.735	63%	0.634	S	S	*	*	H	α-helix	trans	-77.3	-23.9	174.2	-76.6	-175.4	174.2	-176.9	0	113.9	M289 I290 V291	M289-K293 WeakPolarHBondContact O-CB 3.46Å; M289-K293 WeakPolarHBondContact O-CG 3.5Å; M289-K293 PolarHBondContact O-N 3.43Å; I290-K293 CarbonylContact O-C 3.5Å; I290-K293 PolarHBondContact O-N 2.87Å; V291-K293 VanDerWaalsContact C-N 3.35Å
294	A	29.2	Very low	33.9	Very low	55 Å²	55	117.9 Å²	117.9	46%	0.455	64%	0.636	S	S	.	*	H	α-helix	trans	-86	-12.9	177.1	0	0	0	0	0	113.5	I290 V291 V296 E297	I290-A294 VanDerWaalsContact O-CB 3.25Å; I290-A294 WeakPolarHBondContact O-CB 3.33Å; I290-A294 PolarHBondContact O-N 3.17Å; V291-A294 PolarHBondContact O-N 2.64Å; A294-V296 PolarHBondContact O-N 3.42Å; A294-E297 PolarHBondContact O-N 3Å
295	R	28	Very low	33	Very low	204 Å²	204	117.8 Å²	117.8	77%	0.77	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	36.9	-179.9	-84.7	178.7	176.3	-151.2	-0.4	114.6	V291	V291-R295 WeakPolarHBondContact O-CB 3.3Å; V291-R295 VanDerWaalsContact O-CG 3.27Å; V291-R295 WeakPolarHBondContact O-CG 3.37Å; V291-R295 PolarHBondContact O-N 3.31Å; V291-R295 VanDerWaalsContact O-N 3.14Å
296	V	30	Very low	31.9	Very low	119 Å²	119	120.7 Å²	120.7	72%	0.721	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.6	20.8	165.4	-150.4	0	0	0	0	112.7	A294	A294-V296 PolarHBondContact O-N 3.42Å
297	E	26.4	Very low	31.4	Very low	138 Å²	138	122.9 Å²	122.9	65%	0.645	67%	0.666	S	S	*	*	S	Bend	trans	-125.2	33.5	173.8	-69.3	-169.1	131.8	0	0	113.1	A294	A294-E297 PolarHBondContact O-N 3Å
298	M	25.2	Very low	30.7	Very low	187 Å²	187	124.2 Å²	124.2	92%	0.921	68%	0.684	S	S	*	*			trans	-132.1	77.7	167.3	-68.7	-149.4	-50.5	0	0	111.9
299	A	26	Very low	29.9	Very low	94 Å²	94	130.2 Å²	130.2	78%	0.777	70%	0.703	S	S	*	*			trans	-140.6	85.6	163.8	0	0	0	0	0	108.2	P301	A299-P301 WeakPolarHBondContact O-CD 3.49Å
300	L	25.5	Very low	29.2	Very low	167 Å²	167	133 Å²	133	87%	0.874	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-58	123.6	167.1	-78.4	160.4	0	0	0	108.2
301	P	28.4	Very low	28.7	Very low	111 Å²	111	134 Å²	134	72%	0.721	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-57.9	131.5	155.8	-15	29.8	0	0	0	106.6	A299	A299-P301 WeakPolarHBondContact O-CD 3.49Å
302	P	27.6	Very low	28.3	Very low	105 Å²	105	139.4 Å²	139.4	68%	0.682	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-58.4	148.5	175.1	25.9	-34	0	0	0	109.4	L304	P302-L304 PolarHBondContact O-N 2.89Å
303	F	24.7	Very low	27.8	Very low	208 Å²	208	142.2 Å²	142.2	91%	0.912	75%	0.749	S	S	*	*			trans	-55.3	102.9	167.5	-85	-98.3	0	0	0	108.4	P305	F303-P305 VanDerWaalsContact O-CD 3.26Å; F303-P305 WeakPolarHBondContact O-CD 3.04Å
304	L	27	Very low	27.8	Very low	133 Å²	133	143.4 Å²	143.4	70%	0.696	75%	0.754	S	S	*	*			trans	-69.4	117.4	168	-75.6	174.3	0	0	0	106.9	P302 I307	P302-L304 PolarHBondContact O-N 2.89Å; L304-I307 HydrophobicContact CD1-CD1 4.34Å; L304-I307 HydrophobicContact CD2-CD1 4.4Å
305	P	27.5	Very low	27.9	Very low	96 Å²	96	145.8 Å²	145.8	62%	0.623	77%	0.768	S	S	*	*			trans	-60.7	160.4	166.1	29.7	-35	0	0	0	108.8	F303 I307	F303-P305 VanDerWaalsContact O-CD 3.26Å; F303-P305 WeakPolarHBondContact O-CD 3.04Å; P305-I307 PolarHBondContact O-N 2.77Å
306	P	27.8	Very low	28	Very low	131 Å²	131	144 Å²	144	85%	0.851	77%	0.772	S	S	*	*			trans	-55.7	108.2	176.6	23.2	-33.7	0	0	0	110.1	G308	P306-G308 PolarHBondContact O-N 3.41Å
307	I	30.1	Very low	28.2	Very low	123 Å²	123	143 Å²	143	63%	0.631	77%	0.768	S	S	*	*			trans	-68.3	101.3	-176.5	-64.5	170.1	0	0	0	108.2	L304 P305 Q309	L304-I307 HydrophobicContact CD1-CD1 4.34Å; L304-I307 HydrophobicContact CD2-CD1 4.4Å; P305-I307 PolarHBondContact O-N 2.77Å; I307-Q309 PolarHBondContact O-N 2.77Å
308	G	24.7	Very low	28.5	Very low	69 Å²	69	141.6 Å²	141.6	71%	0.711	77%	0.774	S	S	*	*			trans	-64.8	100.6	175.8	0	0	0	0	0	111.1	P306 Q310	P306-G308 PolarHBondContact O-N 3.41Å; G308-Q310 VanDerWaalsContact C-N 3.26Å; G308-Q310 PolarHBondContact O-N 3.36Å
309	Q	28.7	Very low	28.8	Very low	179 Å²	179	140.1 Å²	140.1	84%	0.836	77%	0.765	S	S	*	*			trans	-74.4	81.8	172.7	-79.2	-165.6	-24.8	0	0	111.6	I307 V311	I307-Q309 PolarHBondContact O-N 2.77Å; Q309-V311 PolarHBondContact O-N 2.83Å
310	Q	28.2	Very low	29.3	Very low	158 Å²	158	143.9 Å²	143.9	74%	0.738	77%	0.766	S	S	*	*			trans	34.9	78.8	141.5	-59.9	-172.7	2.5	0	0	116.9	G308 K312	G308-Q310 VanDerWaalsContact C-N 3.26Å; G308-Q310 PolarHBondContact O-N 3.36Å; Q310-K312 PolarHBondContact O-N 2.94Å
311	V	27.9	Very low	29.5	Very low	123 Å²	123	140.3 Å²	140.3	75%	0.745	76%	0.761	S	S	*	*			trans	-66.9	98.8	153.6	178.4	0	0	0	0	108	Q309 R313	Q309-V311 PolarHBondContact O-N 2.83Å; V311-R313 HydrophobicContact CG1-CB 4.42Å; V311-R313 HydrophobicContact CG1-CG 3.92Å; V311-R313 PolarHBondContact O-N 2.88Å
312	K	29.3	Very low	29.8	Very low	185 Å²	185	144.2 Å²	144.2	80%	0.804	77%	0.767	S	S	*	*			trans	-70.2	67.5	172.1	-81.1	-175.7	174.4	174.5	0	111.6	Q310 K314	Q310-K312 PolarHBondContact O-N 2.94Å; K312-K314 PolarHBondContact O-N 3.49Å
313	R	27.5	Very low	30.2	Very low	232 Å²	232	148.4 Å²	148.4	88%	0.875	77%	0.774	S	S	*	*			trans	-79.5	100.5	163.4	-89.8	178.7	176.8	-176.8	-1.3	109.2	V311	V311-R313 HydrophobicContact CG1-CB 4.42Å; V311-R313 HydrophobicContact CG1-CG 3.92Å; V311-R313 PolarHBondContact O-N 2.88Å
314	K	33.4	Very low	30.8	Very low	194 Å²	194	146 Å²	146	84%	0.843	77%	0.769	S	S	*	*			trans	-69.6	143	160.7	-74.6	-174.5	171.1	-173.5	0	109.3	K312	K312-K314 PolarHBondContact O-N 3.49Å
315	S	31.5	Very low	31	Very low	106 Å²	106	143 Å²	143	74%	0.741	77%	0.77	S	S	*	*			trans	44.6	100.5	154.1	54.4	0	0	0	0	119.2
316	L	30.5	Very low	31.4	Very low	165 Å²	165	146.2 Å²	146.2	86%	0.864	78%	0.783	S	S	*	*				11.4	159.7	108.1	-73.8	168.1	0	0	0	119.5
317	P	34.1	Very low	31.9	Very low	98 Å²	98	145.4 Å²	145.4	64%	0.636	78%	0.777	S	S	*	*			cis	-135.8	171	-5	36.8	-19	0	0	0	116.2
318	S	33.1	Very low	31.9	Very low	110 Å²	110	148.7 Å²	148.7	77%	0.769	79%	0.79	S	S	*	*			trans	62.7	159.8	149.7	56.5	0	0	0	0	118.4
319	E	30.8	Very low	32.2	Very low	156 Å²	156	151 Å²	151	73%	0.729	79%	0.792	S	S	*	*			cis	-150.6	178.1	15.2	-153.4	-171.1	-135.4	0	0	112.4
320	Q	37.1	Very low	32.4	Very low	173 Å²	173	152.6 Å²	152.6	81%	0.808	80%	0.796	S	S	*	*			trans	76.4	106.3	160.5	-56.9	-174.3	21.5	0	0	119.1
321	A	29.7	Very low	32.5	Very low	92 Å²	92	153.2 Å²	153.2	76%	0.76	80%	0.799	S	S	*	*			trans	-121.2	158	160.6	0	0	0	0	0	109.4
322	K	34.4	Very low	32.5	Very low	193 Å²	193	153.2 Å²	153.2	84%	0.839	80%	0.795	S	S	*	*			trans	154.1	123	139.2	-87	165.3	-177	179.3	0	113.4
323	K	36.4	Very low	32.4	Very low	192 Å²	192	151.8 Å²	151.8	84%	0.835	79%	0.794	S	S	*	*			trans	155	103.4	132.9	-85.6	168.2	-177.8	-178.4	0	107.5
324	I	36.3	Very low	32.4	Very low	157 Å²	157	152.2 Å²	152.2	81%	0.805	80%	0.796	S	S	*	*				72.4	112.3	65.5	-59.9	165.2	0	0	0	111.6
325	G	33.2	Very low	32.1	Very low	71 Å²	71	151.1 Å²	151.1	73%	0.732	80%	0.797	S	S	*	*			trans	-176.1	125.6	172.5	0	0	0	0	0	107.6
326	N	35.3	Very low	31.9	Very low	164 Å²	164	149.3 Å²	149.3	88%	0.877	80%	0.796	S	S	*	*			trans	-92.7	164.4	-161.1	-102.5	8.8	0	0	0	114.9
327	P	36.9	Very low	31.5	Very low	113 Å²	113	147.3 Å²	147.3	73%	0.734	79%	0.794	S	S	*	*			trans	-104.1	171.4	-169.9	40.9	-35.9	0	0	0	114.3
328	E	31.5	Very low	31.3	Very low	193 Å²	193	150.7 Å²	150.7	90%	0.902	81%	0.806	S	S	*	*			trans	-149.5	148.7	144	-124.1	-179.3	-152.5	0	0	110.7
329	P	31.2	Very low	31	Very low	116 Å²	116	152.1 Å²	152.1	75%	0.753	80%	0.802	S	S	*	*			trans	-113.9	148.7	-169.4	39	-29.2	0	0	0	114.9
330	K	32.7	Very low	30.8	Very low	213 Å²	213	152.3 Å²	152.3	93%	0.926	80%	0.803	S	S	*	*			trans	-144.5	138.6	151.4	-71.1	-163.4	177.7	-177.6	0	111.3
331	E	29.5	Very low	30.5	Very low	172 Å²	172	152.1 Å²	152.1	80%	0.804	81%	0.806	S	S	*	*			trans	-77.5	163.7	169.7	-47.7	177.4	131.3	0	0	109.3
332	N	28.6	Very low	30.7	Very low	122 Å²	122	155 Å²	155	65%	0.652	81%	0.808	S	S	*	*			cis	-152.7	148.4	33.5	-118.3	-59.9	0	0	0	113.3
333	I	27.4	Very low	30.7	Very low	155 Å²	155	151.5 Å²	151.5	80%	0.795	81%	0.805	S	S	*	*			trans	20.4	118.6	158.8	-58.2	169.4	0	0	0	118.8
334	R	26.9	Very low	30.6	Very low	242 Å²	242	148 Å²	148	91%	0.913	80%	0.802	S	S	*	*			trans	-78.8	135.9	178.4	-90.8	-176	175.1	170.9	-1.8	114.9
335	I	26.4	Very low	30.3	Very low	170 Å²	170	146 Å²	146	87%	0.872	80%	0.802	S	S	*	*			trans	-77.3	149.1	143.3	-58.6	165.6	0	0	0	108
336	G	27	Very low	30.4	Very low	69 Å²	69	150.3 Å²	150.3	71%	0.711	81%	0.808	S	S	*	*			trans	131.5	122.7	152.9	0	0	0	0	0	117.6
337	C	23.8	Very low	30.4	Very low	122 Å²	122	151.9 Å²	151.9	82%	0.824	81%	0.807	S	S	*	*			trans	-61.8	145.2	162.7	174.8	0	0	0	0	112.3
338	L	28.7	Very low	30	Very low	169 Å²	169	151.1 Å²	151.1	89%	0.885	81%	0.81	S	S	*	*			trans	-164.6	168.5	143.5	-112.5	166.1	0	0	0	112.6
339	M	26.5	Very low	30	Very low	140 Å²	140	150.8 Å²	150.8	69%	0.69	81%	0.806	S	S	*	*			trans	-104.1	166.1	-169.5	-61.2	173.2	63.1	0	0	113.8
340	Q	27.4	Very low	30	Very low	161 Å²	161	152.3 Å²	152.3	75%	0.752	81%	0.806	S	S	*	*			trans	67.3	141.1	152.5	-74.4	168.3	0.7	0	0	119.7
341	I	31.5	Very low	29.9	Very low	168 Å²	168	147 Å²	147	86%	0.862	80%	0.795	S	S	*	*				-165.2	140.3	110.2	-94.9	156.1	0	0	0	109.3
342	L	33.6	Very low	29.8	Very low	153 Å²	153	142.5 Å²	142.5	80%	0.801	79%	0.788	S	S	*	*			trans	-96.9	168.7	175.7	-76.4	151.2	0	0	0	110.2
343	P	34	Very low	29.8	Very low	119 Å²	119	143.8 Å²	143.8	77%	0.773	80%	0.795	S	S	*	*				-154	177.8	101.7	39.8	-22.9	0	0	0	115
344	P	35.1	Very low	29.9	Very low	120 Å²	120	142.7 Å²	142.7	78%	0.779	80%	0.795	S	S	*	*			cis	-118.7	170.4	-24.1	35	-20.9	0	0	0	112.6
345	S	29.1	Very low	30	Very low	115 Å²	115	135.9 Å²	135.9	80%	0.804	78%	0.784	S	S	*	*			trans	-123.8	133.9	157.7	58.3	0	0	0	0	108.7
346	D	35.6	Very low	30.1	Very low	160 Å²	160	132.6 Å²	132.6	86%	0.856	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-80.5	158.3	-175.4	-105.5	-51.1	0	0	0	113.5
347	K	34.3	Very low	30.3	Very low	198 Å²	198	135.4 Å²	135.4	86%	0.861	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-82.2	143.6	-161.2	-68.3	173.5	-178.7	171.2	0	113.7
348	A	28.9	Very low	30.7	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-59.3	151.5	177	0	0	0	0	0	114.5
349	K	31.8	Very low	30.8	Very low	186 Å²	186	133.5 Å²	133.5	81%	0.809	77%	0.77	S	S	*	*			trans	-166	135.1	140.3	-105.7	173.4	-178	-177.5	0	110.7
350	I	32	Very low	31.1	Very low	148 Å²	148	135.3 Å²	135.3	76%	0.759	78%	0.777	S	S	*	*			trans	53	132.8	135.7	-57.3	166.9	0	0	0	118.5
351	S	29.2	Very low	31.5	Very low	100 Å²	100	133.1 Å²	133.1	70%	0.699	77%	0.774	S	S	*	*			cis	-175.8	153.6	-19.5	57.4	0	0	0	0	109.4
352	A	28.4	Very low	31.8	Very low	79 Å²	79	129.4 Å²	129.4	65%	0.653	76%	0.763	S	S	*	*			trans	55.4	130.4	144.3	0	0	0	0	0	122.4
353	N	27.2	Very low	32	Very low	148 Å²	148	126.2 Å²	126.2	79%	0.791	75%	0.753	S	S	*	*			trans	75.6	138.2	135	-68.3	-1.7	0	0	0	122.8
354	V	30.5	Very low	32.3	Very low	133 Å²	133	128.7 Å²	128.7	81%	0.806	75%	0.752	S	S	*	*			trans	68.6	134.2	139.2	166.2	0	0	0	0	117.7
355	S	29.8	Very low	32.4	Very low	98 Å²	98	132.5 Å²	132.5	69%	0.685	76%	0.757	S	S	*	*			cis	-163.4	-176.6	-15.8	57.1	0	0	0	0	110.5
356	S	27.4	Very low	32.8	Very low	101 Å²	101	135.1 Å²	135.1	71%	0.706	75%	0.753	S	S	*	*			trans	-51.5	154.1	166.6	52.5	0	0	0	0	115.8
357	V	32.4	Very low	32.8	Very low	129 Å²	129	137 Å²	137	78%	0.782	75%	0.754	S	S	*	*				-164.9	162.1	129.1	133.5	0	0	0	0	111.4
358	Q	31.9	Very low	32.9	Very low	161 Å²	161	133.6 Å²	133.6	75%	0.752	74%	0.741	S	S	*	*			trans	-45.6	139.9	175.5	-70.6	106.9	-41	0	0	113.8
359	A	29.5	Very low	33.2	Very low	90 Å²	90	136.7 Å²	136.7	74%	0.744	74%	0.737	S	S	*	*				71.7	121.6	56.5	0	0	0	0	0	114.6
360	E	34.1	Very low	33.3	Very low	178 Å²	178	136.3 Å²	136.3	83%	0.832	74%	0.735	S	S	*	*			trans	-171.5	162.5	139.9	-109.2	-169.7	-157.6	0	0	114.9
361	T	35.2	Very low	33.5	Very low	115 Å²	115	135.9 Å²	135.9	71%	0.706	73%	0.734	S	S	*	*			trans	-2	156.9	157.8	69.8	0	0	0	0	121.8
362	S	37	Very low	33.8	Very low	89 Å²	89	137 Å²	137	62%	0.622	74%	0.736	S	S	*	*			cis	-172.5	158.1	-8.4	48.7	0	0	0	0	113.4
363	S	39.8	Very low	33.9	Very low	86 Å²	86	136.5 Å²	136.5	60%	0.601	74%	0.739	S	S	*	*			trans	64.6	161.6	151.4	72.1	0	0	0	0	117.7
364	K	38.5	Very low	34.2	Very low	172 Å²	172	136.6 Å²	136.6	75%	0.748	74%	0.739	S	S	*	*			cis	-140.2	171.8	8.3	-68	89.1	-175.7	157.5	0	107.4
365	K	38	Very low	34.2	Very low	200 Å²	200	138.8 Å²	138.8	87%	0.87	74%	0.737	S	S	*	*			cis	-159.8	128.8	-7.5	-121.4	171.5	-178.4	177.7	0	110
366	K	36.5	Very low	34.2	Very low	169 Å²	169	142.5 Å²	142.5	74%	0.735	74%	0.744	S	S	*	*			trans	-0.5	142.7	157.7	-80.3	-175.2	159.6	-152.2	0	123.7	E368	K366-E368 IonicContact NZ-OE1 2.98Å; K366-E368 PolarHBondContact NZ-OE1 3.01Å
367	K	36.2	Very low	34.3	Very low	200 Å²	200	142.7 Å²	142.7	87%	0.87	74%	0.744	S	S	*	*				-172.3	112	108.9	-97.3	165	-177.2	177.5	0	109.8
368	E	36.1	Very low	34.2	Very low	127 Å²	127	142 Å²	142	59%	0.593	74%	0.744	S	S	*	*				75.2	121.7	65	-145.5	-172.7	-91.5	0	0	112.1	K366	K366-E368 IonicContact NZ-OE1 2.98Å; K366-E368 PolarHBondContact NZ-OE1 3.01Å
369	K	35.8	Very low	34	Very low	162 Å²	162	142 Å²	142	70%	0.704	75%	0.747	S	S	*	*				-165.7	146.4	64.5	-82.7	169.8	178.4	171.2	0	115.8
370	K	34.7	Very low	34.5	Very low	178 Å²	178	143.2 Å²	143.2	77%	0.774	75%	0.747	S	S	*	*			trans	63.3	151.6	142	-69.7	-176.6	178.1	-169.1	0	119.3
371	N	36.3	Very low	34.5	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	75%	0.746	S	S	*	*			cis	166.1	160.4	-13.7	-97.6	13.2	0	0	0	104.5
372	V	34.9	Very low	34.3	Very low	123 Å²	123	144.5 Å²	144.5	75%	0.745	75%	0.753	S	S	*	*			cis	-160.4	150.2	0.9	114.2	0	0	0	0	111.1
373	G	31.3	Very low	34.1	Very low	68 Å²	68	150.8 Å²	150.8	70%	0.701	77%	0.769	S	S	*	*			trans	82.6	156.2	147.9	0	0	0	0	0	120.4
374	L	32.5	Very low	33.7	Very low	151 Å²	151	152 Å²	152	79%	0.791	77%	0.769	S	S	*	*			cis	-163.6	132.1	-5.2	-106	165	0	0	0	112.1
375	K	31.5	Very low	33.4	Very low	179 Å²	179	151.7 Å²	151.7	78%	0.778	77%	0.768	S	S	*	*			trans	60.9	139.2	159.1	-62.3	174.4	179.5	-178	0	120.1
376	Q	29.4	Very low	33.2	Very low	175 Å²	175	148 Å²	148	82%	0.818	76%	0.762	S	S	*	*			cis	79.8	135.6	48.7	-113.3	170.7	-7.5	0	0	113.4
377	C	29.1	Very low	33	Very low	106 Å²	106	148.8 Å²	148.8	72%	0.716	77%	0.766	S	S	*	*			cis	-150.7	169.3	34.8	-68.8	0	0	0	0	116.6
378	C	30.1	Very low	32.7	Very low	114 Å²	114	145.4 Å²	145.4	77%	0.77	76%	0.762	S	S	*	*			trans	31.4	140.7	151.8	-52.7	0	0	0	0	123.1
379	I	27.2	Very low	32.5	Very low	162 Å²	162	144.2 Å²	144.2	83%	0.831	77%	0.768	S	S	*	*			cis	95.2	128.4	23	-60.9	179.5	0	0	0	115.3
380	P	40.2	Very low	32.2	Very low	115 Å²	115	143 Å²	143	75%	0.747	77%	0.769	S	S	*	*			trans	-104.5	-170.5	-168.4	43.3	-38.3	0	0	0	115.1
381	P	34.7	Very low	31.9	Very low	123 Å²	123	141.7 Å²	141.7	80%	0.799	77%	0.769	S	S	*	*				-154.3	174.1	106.9	41	-22.8	0	0	0	119.4
382	K	29.6	Very low	31.7	Very low	197 Å²	197	140.3 Å²	140.3	86%	0.857	77%	0.768	S	S	*	*			trans	-22.8	155.3	168.2	-54.7	173.6	178.9	179.3	0	121.6
383	F	33.7	Very low	31.2	Very low	220 Å²	220	138.8 Å²	138.8	97%	0.965	77%	0.768	S	S	*	*			trans	-138.5	171	140	-118	-89.7	0	0	0	110.8
384	D	31.3	Very low	30.9	Very low	112 Å²	112	141.1 Å²	141.1	60%	0.599	77%	0.773	S	S	*	*			trans	-145.7	150.2	-150.5	-163.1	12.1	0	0	0	115.1
385	K	31.5	Very low	30.7	Very low	166 Å²	166	138.9 Å²	138.9	72%	0.722	77%	0.765	S	S	*	*			trans	48.4	134.7	166.2	-69.2	141.9	-170.5	154.1	0	122
386	T	35.3	Very low	30.7	Very low	123 Å²	123	142 Å²	142	76%	0.755	77%	0.773	S	S	*	*				-177.9	144.5	94.5	33	0	0	0	0	115.1
387	K	31.9	Very low	30.9	Very low	184 Å²	184	139.4 Å²	139.4	80%	0.8	76%	0.764	S	S	*	*			trans	47.6	112.1	143	-64.6	-176.9	178.9	-176.5	0	120.1
388	T	28.8	Very low	30.7	Very low	129 Å²	129	139.4 Å²	139.4	79%	0.791	77%	0.765	S	S	*	*				84.5	104.5	59.6	60.9	0	0	0	0	116.6
389	S	32.9	Very low	30.7	Very low	102 Å²	102	140.5 Å²	140.5	71%	0.713	76%	0.763	S	S	*	*			trans	-178.8	132.1	142.8	53.9	0	0	0	0	111.9
390	D	30.1	Very low	30.6	Very low	137 Å²	137	137.5 Å²	137.5	73%	0.733	76%	0.762	S	S	*	*			trans	49.1	121.3	142.3	-46.7	-33.3	0	0	0	120.7
391	I	28.1	Very low	30	Very low	150 Å²	150	136.6 Å²	136.6	77%	0.769	75%	0.754	S	S	*	*				70.9	125.2	63.8	-63.8	167.9	0	0	0	112.6
392	P	30.8	Very low	29.7	Very low	111 Å²	111	141.9 Å²	141.9	72%	0.721	76%	0.758	S	S	*	*			cis	-135.7	-176.7	-20.3	39.5	-20.6	0	0	0	114.8
393	A	24.9	Very low	29.7	Very low	90 Å²	90	137.3 Å²	137.3	74%	0.744	75%	0.751	S	S	*	*			trans	40.2	142.8	146.1	0	0	0	0	0	123.9
394	S	25.6	Very low	29.3	Very low	117 Å²	117	131.9 Å²	131.9	82%	0.818	74%	0.741	S	S	*	*			trans	86.8	170.4	163.9	84	0	0	0	0	118.7
395	V	28.8	Very low	29.1	Very low	104 Å²	104	132.4 Å²	132.4	63%	0.63	75%	0.748	S	S	*	*			trans	66.7	75.7	178.4	-164.5	0	0	0	0	117.7
396	R	31.6	Very low	28.8	Very low	246 Å²	246	132.2 Å²	132.2	93%	0.928	75%	0.749	S	S	*	*			trans	-159.3	71.7	138.3	-102.7	-175.1	-178.2	-176.2	0.4	105.5
397	N	33.3	Very low	28.5	Very low	119 Å²	119	133.8 Å²	133.8	64%	0.636	75%	0.752	S	S	*	*				42.4	99.9	70.7	-68.7	20.3	0	0	0	109.9
398	S	25.4	Very low	28.2	Very low	106 Å²	106	131.3 Å²	131.3	74%	0.741	75%	0.747	S	S	*	*				81.4	156	50.8	-164.2	0	0	0	0	112.9
399	L	29.4	Very low	28	Very low	137 Å²	137	130.6 Å²	130.6	72%	0.717	74%	0.744	S	S	*	*			trans	65.1	120.6	-163.9	-56.6	99.4	0	0	0	112.6	V401	L399-V401 HydrophobicContact CD2-CG2 4.07Å
400	A	25.7	Very low	27.9	Very low	99 Å²	99	133.5 Å²	133.5	82%	0.818	75%	0.75	S	S	*	*			cis	67	174.3	26.9	0	0	0	0	0	114.1
401	V	27.6	Very low	27.6	Very low	96 Å²	96	135.7 Å²	135.7	58%	0.582	76%	0.756	S	S	*	*			trans	87	116.4	-177	-175	0	0	0	0	115.9	L399	L399-V401 HydrophobicContact CD2-CG2 4.07Å
402	R	27.3	Very low	27.5	Very low	234 Å²	234	133.3 Å²	133.3	88%	0.883	75%	0.752	S	S	*	*			trans	69.8	154.1	162.8	-69.2	163.2	-163.3	162.7	3.2	116.1
403	S	29.2	Very low	27.4	Very low	102 Å²	102	134.3 Å²	134.3	71%	0.713	76%	0.756	S	S	*	*			cis	-125.5	127.4	15.8	56.5	0	0	0	0	115.6
404	S	25.2	Very low	27.6	Very low	106 Å²	106	133.8 Å²	133.8	74%	0.741	76%	0.76	S	S	*	*			trans	-63.4	141	153.8	50	0	0	0	0	111.4
405	V	28	Very low	27.8	Very low	123 Å²	123	136.8 Å²	136.8	75%	0.745	76%	0.758	S	S	*	*			trans	-110.5	112.3	164.3	176.9	0	0	0	0	108.5	L407	V405-L407 HydrophobicContact CG1-CG 4.44Å
406	Q	25.1	Very low	27.8	Very low	161 Å²	161	143.8 Å²	143.8	75%	0.752	77%	0.773	S	S	*	*			trans	-86.2	126.6	168.2	-74.6	178.4	-34.9	0	0	109.8	I408	Q406-I408 HydrophobicContact CB-CG1 4.48Å
407	L	28.1	Very low	27.8	Very low	156 Å²	156	136 Å²	136	82%	0.817	77%	0.77	S	S	*	*			trans	-137.4	84.2	155.3	-67.5	174.1	0	0	0	104.5	V405	V405-L407 HydrophobicContact CG1-CG 4.44Å
408	I	26.3	Very low	27.5	Very low	133 Å²	133	139.1 Å²	139.1	68%	0.682	78%	0.777	S	S	*	*				56.9	114.7	84.5	-57.6	-178.6	0	0	0	110.2	Q406	Q406-I408 HydrophobicContact CB-CG1 4.48Å
409	P	24.6	Very low	27.7	Very low	114 Å²	114	146.3 Å²	146.3	74%	0.74	79%	0.788	S	S	*	*			trans	-78.8	155.4	-166.8	32.8	-36.9	0	0	0	113.1
410	I	30.1	Very low	27.6	Very low	162 Å²	162	145.7 Å²	145.7	83%	0.831	79%	0.785	S	S	*	*			trans	-119.5	99.5	162.9	-59.4	179.3	0	0	0	107.8
411	E	24.4	Very low	27.9	Very low	184 Å²	184	148.8 Å²	148.8	86%	0.86	78%	0.78	S	S	*	*			trans	-78.7	126.9	161.9	-61.3	-174.2	134.7	0	0	109.3
412	S	27.1	Very low	28	Very low	100 Å²	100	149.6 Å²	149.6	70%	0.699	78%	0.781	S	S	*	*			trans	-175.1	119.3	141.3	59.5	0	0	0	0	114.6
413	V	28	Very low	28.3	Very low	131 Å²	131	144 Å²	144	79%	0.794	78%	0.778	S	S	*	*			trans	53.6	115.9	132.5	-172.9	0	0	0	0	120
414	G	29	Very low	28.5	Very low	80 Å²	80	142.9 Å²	142.9	83%	0.825	78%	0.775	S	S	*	*			trans	-150.6	17.4	176.6	0	0	0	0	0	119.2
415	K	29.5	Very low	28.7	Very low	180 Å²	180	146.2 Å²	146.2	78%	0.783	78%	0.776	S	S	*	*			trans	11.9	128.8	168.8	-76.6	174.3	179.1	168.4	0	122.4
416	R	28.4	Very low	29	Very low	251 Å²	251	147.4 Å²	147.4	95%	0.947	77%	0.773	S	S	*	*			trans	84.5	130.8	143.7	-70.5	178.4	173.5	-171.8	-1.6	120.8
417	G	31.5	Very low	29.4	Very low	83 Å²	83	146.3 Å²	146.3	86%	0.856	77%	0.768	S	S	*	*			trans	168.3	90.6	160.9	0	0	0	0	0	112.9
418	K	26.8	Very low	29.7	Very low	183 Å²	183	146.7 Å²	146.7	80%	0.796	76%	0.763	S	S	*	*			trans	-102.2	142.3	173.5	-90.1	-168	175.8	-173.4	0	110.7
419	W	30.5	Very low	29.8	Very low	257 Å²	257	148.3 Å²	148.3	97%	0.973	77%	0.768	S	S	*	*			trans	-130.6	159.9	151	-84.7	84.3	0	0	0	109.4
420	L	28.1	Very low	30.1	Very low	125 Å²	125	147.3 Å²	147.3	65%	0.654	77%	0.769	S	S	*	*			trans	-160.9	140.5	-156.3	-149.1	162.9	0	0	0	110.3
421	K	31.9	Very low	30.3	Very low	163 Å²	163	145.2 Å²	145.2	71%	0.709	77%	0.766	S	S	*	*			trans	135.8	130.1	146.9	-78.8	-175.6	151.1	-86.4	0	116.4
422	D	29.1	Very low	30.6	Very low	114 Å²	114	143.6 Å²	143.6	61%	0.61	77%	0.768	S	S	*	*				44.4	128.9	128	-33.3	-22.9	0	0	0	118
423	S	33	Very low	30.8	Very low	116 Å²	116	142.1 Å²	142.1	81%	0.811	77%	0.769	S	S	*	*			cis	-168.1	172.1	41.9	-68.2	0	0	0	0	111.3
424	A	33.6	Very low	30.8	Very low	78 Å²	78	145.4 Å²	145.4	65%	0.645	77%	0.773	S	S	*	*			cis	-176.9	177.5	-28.5	0	0	0	0	0	110.5
425	F	30.2	Very low	30.9	Very low	176 Å²	176	149.2 Å²	149.2	77%	0.772	77%	0.774	S	S	*	*			trans	84.5	125	150.5	-82	-60.8	0	0	0	125.3
426	H	34.8	Very low	30.9	Very low	148 Å²	148	146.4 Å²	146.4	69%	0.685	77%	0.771	S	S	*	*			trans	65.4	146.8	149.4	-63.8	-61.3	0	0	0	122.1
427	E	32.3	Very low	30.9	Very low	138 Å²	138	141.8 Å²	141.8	65%	0.645	77%	0.766	S	S	*	*			cis	-171.7	176.9	-34.8	-139.5	-172.1	130.2	0	0	112
428	K	34.8	Very low	30.9	Very low	165 Å²	165	141.5 Å²	141.5	72%	0.717	76%	0.762	S	S	*	*			trans	81	110.7	168.5	-63.7	175.8	-174.5	-179.6	0	116.2
429	Q	29	Very low	31	Very low	167 Å²	167	142.5 Å²	142.5	78%	0.78	76%	0.762	S	S	*	*				88	139.8	71.7	-81.1	171.8	-2.5	0	0	112.5
430	A	29.3	Very low	31	Very low	92 Å²	92	137.5 Å²	137.5	76%	0.76	76%	0.755	S	S	*	*			cis	-158	170.2	-3.2	0	0	0	0	0	111.7
431	P	36.1	Very low	31.2	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	76%	0.757	S	S	*	*			trans	-114.8	-178.7	-174.2	42.1	-32.9	0	0	0	115.2
432	V	29.2	Very low	31.4	Very low	149 Å²	149	132.3 Å²	132.3	90%	0.903	76%	0.76	S	S	*	*			trans	160.4	147	141.4	153.5	0	0	0	0	114.3
433	G	31.4	Very low	31.5	Very low	70 Å²	70	136 Å²	136	72%	0.722	77%	0.774	S	S	*	*			trans	112.5	110.3	161.1	0	0	0	0	0	115.6
434	K	27.6	Very low	31.6	Very low	199 Å²	199	135.6 Å²	135.6	87%	0.865	77%	0.768	S	S	*	*			cis	105.4	140.2	12	-153	-177.6	-170	-174.3	0	114.2
435	L	31.8	Very low	31.6	Very low	160 Å²	160	140.4 Å²	140.4	84%	0.838	78%	0.782	S	S	*	*			trans	89.8	154.3	178.7	-56.2	167.5	0	0	0	117.1
436	V	30.2	Very low	31.4	Very low	122 Å²	122	135.2 Å²	135.2	74%	0.739	78%	0.779	S	S	*	*				-167.2	152.8	-52.2	127.5	0	0	0	0	111.3
437	N	27.7	Very low	31.5	Very low	154 Å²	154	133.4 Å²	133.4	82%	0.824	78%	0.78	S	S	*	*			trans	-12.4	150.4	175	-57.8	-0.4	0	0	0	123.6
438	G	31.5	Very low	31.4	Very low	76 Å²	76	134 Å²	134	78%	0.784	79%	0.787	S	S	*	*			trans	156.6	90.9	163.6	0	0	0	0	0	110.3
439	Y	28.9	Very low	31.1	Very low	204 Å²	204	129.5 Å²	129.5	80%	0.8	78%	0.782	S	S	*	*			cis	91.1	131.5	44.4	-139	-80.2	0	0	0	113.7
440	D	31.3	Very low	31.1	Very low	153 Å²	153	129 Å²	129	82%	0.818	78%	0.784	S	S	*	*			trans	61.1	146.3	-179.7	-75.7	-39.2	0	0	0	121.4
441	G	32.3	Very low	31.2	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	78%	0.784	S	S	*	*			trans	163.7	38.9	-179	0	0	0	0	0	118.9
442	S	35.9	Very low	30.9	Very low	110 Å²	110	133.7 Å²	133.7	77%	0.769	79%	0.787	S	S	*	*			trans	27.9	102.4	157.1	58.9	0	0	0	0	119.4
443	Q	30.4	Very low	30.9	Very low	191 Å²	191	129.9 Å²	129.9	89%	0.893	77%	0.772	S	S	*	*				102.4	159.8	85.9	-92.1	-152	-11.8	0	0	114.5
444	P	35	Very low	30.7	Very low	108 Å²	108	132.3 Å²	132.3	70%	0.701	77%	0.773	S	S	*	*			trans	-121.8	172.3	-149.8	43.2	-33.1	0	0	0	116.5
445	L	34.2	Very low	31	Very low	179 Å²	179	131.2 Å²	131.2	94%	0.937	77%	0.771	S	S	*	*			trans	-132.6	119.8	157.9	-74.7	172.6	0	0	0	110.8
446	G	26.2	Very low	30.8	Very low	68 Å²	68	127 Å²	127	70%	0.701	76%	0.759	S	S	*	*			trans	-104.5	-143.1	150.9	0	0	0	0	0	108.5
447	P	35.6	Very low	30.6	Very low	109 Å²	109	129.5 Å²	129.5	71%	0.708	77%	0.767	S	S	*	*			cis	-135.3	-151.8	-12.4	33	-9.4	0	0	0	111.5
448	N	31.3	Very low	30.7	Very low	150 Å²	150	126.6 Å²	126.6	80%	0.802	77%	0.765	S	S	*	*			trans	78.6	152.8	158.2	-58.3	-20.9	0	0	0	119.6
449	A	28.8	Very low	30.4	Very low	72 Å²	72	129.3 Å²	129.3	60%	0.595	77%	0.767	S	S	*	*			cis	-170.5	143.9	-27.9	0	0	0	0	0	112.7
450	N	28.1	Very low	30.2	Very low	155 Å²	155	125.6 Å²	125.6	83%	0.829	76%	0.764	S	S	*	*			trans	66.7	169.4	145.8	-65.2	-12.3	0	0	0	122.3
451	I	31.5	Very low	29.8	Very low	148 Å²	148	123.5 Å²	123.5	76%	0.759	76%	0.762	S	S	*	*			trans	86.4	86.3	175.7	-51	178.1	0	0	0	113.1
452	L	29.3	Very low	29.4	Very low	162 Å²	162	124.3 Å²	124.3	85%	0.848	76%	0.762	S	S	*	*				77.8	136.7	76.4	-69.9	164	0	0	0	113
453	A	29.5	Very low	28.9	Very low	70 Å²	70	127.7 Å²	127.7	58%	0.579	77%	0.769	S	S	*	*			cis	-165.9	179	-6.9	0	0	0	0	0	111.5
454	T	28.4	Very low	28.6	Very low	121 Å²	121	122 Å²	122	74%	0.742	76%	0.763	S	S	*	*			trans	33.9	137	143.8	47.6	0	0	0	0	120.4
455	E	32.2	Very low	28.2	Very low	175 Å²	175	123.8 Å²	123.8	82%	0.818	77%	0.771	S	S	*	*			cis	-171.7	171.1	36.1	-114.2	151.4	-144.6	0	0	107.6
456	A	28.3	Very low	27.8	Very low	72 Å²	72	119.5 Å²	119.5	60%	0.595	76%	0.762	S	S	*	*			cis	-176.1	146	-31.6	0	0	0	0	0	109.9
457	L	26.7	Very low	27.8	Very low	174 Å²	174	123.8 Å²	123.8	91%	0.911	76%	0.763	S	S	*	*			trans	52.6	159.6	156.7	-79.2	82.6	0	0	0	119.4
458	A	29.1	Very low	27.5	Very low	93 Å²	93	126.5 Å²	126.5	77%	0.769	77%	0.771	S	S	*	*			cis	-137.8	169.8	11.2	0	0	0	0	0	113.4
459	T	25	Very low	27.3	Very low	134 Å²	134	126.5 Å²	126.5	82%	0.822	77%	0.766	S	S	*	*			trans	-116.9	-167	-175	-22.9	0	0	0	0	111.2
460	V	24.4	Very low	27.3	Very low	125 Å²	125	127.7 Å²	127.7	76%	0.758	77%	0.766	S	S	*	*			trans	94.8	86	160.3	-164.7	0	0	0	0	118.3
461	S	23.9	Very low	27.2	Very low	109 Å²	109	127.6 Å²	127.6	76%	0.762	77%	0.765	S	S	*	*				41.9	129.3	111.9	-54	0	0	0	0	124.2
462	A	24.1	Very low	27	Very low	85 Å²	85	124.4 Å²	124.4	70%	0.702	76%	0.761	S	S	*	*				94.5	139.1	118.3	0	0	0	0	0	123.6
463	I	25	Very low	26.9	Very low	181 Å²	181	124 Å²	124	93%	0.928	76%	0.758	S	S	*	*			trans	68.9	142.9	152	-64.4	156.1	0	0	0	118
464	G	24.8	Very low	26.7	Very low	73 Å²	73	125.5 Å²	125.5	75%	0.753	76%	0.763	S	S	*	*			trans	147.8	78.8	157.2	0	0	0	0	0	117.3
465	T	25.6	Very low	26.6	Very low	144 Å²	144	126.8 Å²	126.8	88%	0.883	77%	0.766	S	S	*	*			trans	-71	142.4	163.3	47.6	0	0	0	0	112.2
466	A	26.4	Very low	26.5	Very low	89 Å²	89	125.9 Å²	125.9	74%	0.736	77%	0.766	S	S	*	*				167.7	145.9	118.8	0	0	0	0	0	115.5
467	H	26.3	Very low	26.4	Very low	158 Å²	158	129.1 Å²	129.1	73%	0.731	77%	0.769	S	S	*	*			trans	27	125.4	150	-67.2	-73.4	0	0	0	123
468	L	29.4	Very low	26.6	Very low	167 Å²	167	127.8 Å²	127.8	87%	0.874	76%	0.756	S	S	*	*				179.9	102.2	103.8	-91.6	156.8	0	0	0	109.3
469	H	26.2	Very low	26.7	Very low	149 Å²	149	134.2 Å²	134.2	69%	0.69	76%	0.76	S	S	*	*				83.4	140	74.7	-125.3	-67.8	0	0	0	117.1
470	T	28.7	Very low	26.8	Very low	97 Å²	97	139.6 Å²	139.6	60%	0.595	77%	0.765	S	S	*	*			trans	64	111.4	162.1	43.1	0	0	0	0	122.3
471	N	26.2	Very low	27.4	Very low	153 Å²	153	139 Å²	139	82%	0.818	76%	0.763	S	S	*	*				63.4	160.9	123.9	-47.4	-13.6	0	0	0	119.1
472	A	27.2	Very low	27.7	Very low	81 Å²	81	143.4 Å²	143.4	67%	0.669	77%	0.77	S	S	*	*			cis	-160.9	170.7	12.9	0	0	0	0	0	114.1
473	I	28.1	Very low	27.8	Very low	153 Å²	153	146 Å²	146	79%	0.785	77%	0.771	S	S	*	*			trans	71.9	94.3	145.9	-62.9	160.2	0	0	0	120.1
474	C	24.7	Very low	28.1	Very low	102 Å²	102	146.2 Å²	146.2	69%	0.689	77%	0.766	S	S	*	*				45.2	131.6	116.9	-54.9	0	0	0	0	124.5
475	N	27	Very low	28.1	Very low	149 Å²	149	149.3 Å²	149.3	80%	0.797	77%	0.765	S	S	*	*				53	129.6	129.1	-60.1	-17	0	0	0	122
476	L	30	Very low	28.2	Very low	155 Å²	155	148.3 Å²	148.3	81%	0.812	76%	0.758	S	S	*	*				-162	144.9	107	-108.1	162.2	0	0	0	113.9
477	E	26.4	Very low	28.1	Very low	141 Å²	141	150.5 Å²	150.5	66%	0.659	76%	0.758	S	S	*	*			trans	-79	158.1	174.5	-41.2	155.7	100.3	0	0	111.6
478	K	29.6	Very low	28.2	Very low	146 Å²	146	150.7 Å²	150.7	64%	0.635	76%	0.762	S	S	*	*				165.6	151.5	109.1	-96.9	135.8	-176	126.1	0	116.2
479	R	31.9	Very low	28	Very low	227 Å²	227	150 Å²	150	86%	0.857	76%	0.758	S	S	*	*			trans	67.8	92.4	147.7	-70.2	167.4	-178.1	-168.2	-0.1	121.2
480	R	27.9	Very low	28.2	Very low	248 Å²	248	154.2 Å²	154.2	94%	0.936	77%	0.768	S	S	*	*				35	153.6	119.7	-76.5	-170.1	179.9	-175.6	1.9	122.9
481	P	37	Very low	28.2	Very low	111 Å²	111	154 Å²	154	72%	0.721	77%	0.77	S	S	*	*			trans	-106.8	176.5	-162.2	43.1	-37.1	0	0	0	115.6
482	F	29.8	Very low	28.2	Very low	203 Å²	203	154.3 Å²	154.3	89%	0.89	77%	0.767	S	S	*	*			trans	-155.4	165.3	149.5	-105	-67.7	0	0	0	113.6
483	N	26.6	Very low	28.3	Very low	138 Å²	138	158.5 Å²	158.5	74%	0.738	77%	0.77	S	S	*	*			trans	-66.1	157.7	-171.5	-50.7	-26.2	0	0	0	115.4
484	K	31.6	Very low	28.2	Very low	186 Å²	186	156.9 Å²	156.9	81%	0.809	77%	0.768	S	S	*	*				-178.1	126.6	107.9	-98.2	175.5	178.2	-177.9	0	115.3
485	D	24.8	Very low	28.5	Very low	139 Å²	139	158.9 Å²	158.9	74%	0.743	77%	0.77	S	S	*	*				44.1	137.4	123.9	-56.7	-27	0	0	0	124.2
486	V	25.8	Very low	28.5	Very low	122 Å²	122	159.9 Å²	159.9	74%	0.739	77%	0.77	S	S	*	*			trans	81.8	112.5	148.5	172	0	0	0	0	120.3
487	D	25.6	Very low	28.4	Very low	135 Å²	135	161.1 Å²	161.1	72%	0.722	77%	0.771	S	S	*	*			trans	21	137.3	138.6	-45	-41.8	0	0	0	121.5
488	I	27.1	Very low	28.4	Very low	162 Å²	162	164 Å²	164	83%	0.831	78%	0.782	S	S	*	*				-174.4	140	107.5	-92.5	155.5	0	0	0	113.4
489	I	25.4	Very low	28.4	Very low	154 Å²	154	165.2 Å²	165.2	79%	0.79	80%	0.795	S	S	*	*			trans	-46.5	126.1	175	-57.3	156.2	0	0	0	115.2
490	R	30.6	Very low	28.2	Very low	237 Å²	237	159.2 Å²	159.2	89%	0.894	79%	0.794	S	S	*	*			trans	-150.6	113.9	146	-82.3	-175.4	-178	160	1.5	107.8
491	S	28.6	Very low	28.2	Very low	92 Å²	92	152 Å²	152	64%	0.643	78%	0.781	S	S	*	*				92.2	90.8	51.8	73.4	0	0	0	0	114
492	E	26.5	Very low	27.8	Very low	159 Å²	159	155 Å²	155	74%	0.743	79%	0.786	S	S	*	*			trans	62.2	155.7	151.8	-63.9	-164	157.7	0	0	123
493	K	29.1	Very low	27.8	Very low	169 Å²	169	151.2 Å²	151.2	74%	0.735	78%	0.784	S	S	*	*			trans	89.4	97	143	-88.3	158.5	-176.5	141.9	0	122
494	T	26.3	Very low	27.8	Very low	120 Å²	120	152 Å²	152	74%	0.736	79%	0.788	S	S	*	*				89.5	154.7	129.5	-9.3	0	0	0	0	119.5
495	I	31.7	Very low	27.7	Very low	143 Å²	143	150.5 Å²	150.5	73%	0.733	79%	0.788	S	S	*	*			trans	72.9	103.4	170.5	-55.7	160	0	0	0	112.3
496	E	25.5	Very low	27.8	Very low	171 Å²	171	151.2 Å²	151.2	80%	0.799	79%	0.79	S	S	*	*				69.1	85.9	53.1	-58.7	-165	146.3	0	0	115.5
497	Q	27.8	Very low	28.1	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	79%	0.793	S	S	*	*			trans	-173.5	121	133.7	-99.7	155.3	34.9	0	0	108.3
498	K	26.5	Very low	28.3	Very low	202 Å²	202	155.1 Å²	155.1	88%	0.878	80%	0.803	S	S	*	*				56.8	88.6	97.9	-79.5	-165.7	173	-172.8	0	113.9
499	D	29.8	Very low	28.5	Very low	170 Å²	170	152 Å²	152	91%	0.909	79%	0.789	S	S	*	*			trans	-126.9	128.5	141.8	-98.6	-42.9	0	0	0	108.1
500	A	27.8	Very low	28.5	Very low	101 Å²	101	149.1 Å²	149.1	84%	0.835	79%	0.787	S	S	*	*			trans	-149.9	113	179.2	0	0	0	0	0	109.1
501	S	28.8	Very low	28.4	Very low	96 Å²	96	143.3 Å²	143.3	67%	0.671	77%	0.766	S	S	*	*			trans	-164.5	139.4	173.7	64.7	0	0	0	0	113.1
502	H	29.1	Very low	28.2	Very low	176 Å²	176	144.1 Å²	144.1	82%	0.815	76%	0.762	S	S	*	*			trans	70.1	75.2	155.5	-54.2	-48.3	0	0	0	119.6
503	S	28.8	Very low	28.3	Very low	123 Å²	123	142 Å²	142	86%	0.86	76%	0.755	S	S	*	*				-138.5	27.1	129.9	77.4	0	0	0	0	113.3	L505	S503-L505 PolarHBondContact O-N 3.32Å
504	D	27.8	Very low	28.2	Very low	153 Å²	153	137 Å²	137	82%	0.818	74%	0.735	S	S	*	*			trans	-81.5	96.2	167.4	-72.7	-56.7	0	0	0	109.6
505	L	28.5	Very low	28.2	Very low	155 Å²	155	135.8 Å²	135.8	81%	0.812	73%	0.731	S	S	*	*			trans	-161.3	134	159.7	-135.9	76.1	0	0	0	111.4	S503	S503-L505 PolarHBondContact O-N 3.32Å
506	I	27.6	Very low	27.9	Very low	154 Å²	154	133.9 Å²	133.9	79%	0.79	72%	0.717	S	S	*	*			trans	60.7	86.2	164.2	-38.5	178.1	0	0	0	116.6
507	D	31.9	Very low	27.9	Very low	149 Å²	149	132.7 Å²	132.7	80%	0.797	72%	0.717	S	S	*	*				-154.4	113	116.3	-163.1	9.4	0	0	0	110
508	M	28.6	Very low	27.7	Very low	190 Å²	190	132.1 Å²	132.1	94%	0.936	72%	0.719	S	S	*	*			trans	-107.9	73.4	-178.3	-83.2	-159	174.8	0	0	111.3	A510	M508-A510 PolarHBondContact O-N 2.84Å
509	D	32.4	Very low	27.7	Very low	98 Å²	98	128.5 Å²	128.5	52%	0.524	71%	0.714	S	S	.	*			trans	-68.8	119.5	168.4	-175.6	33.4	0	0	0	110.3	R511	D509-R511 PolarHBondContact O-N 3.28Å; D509-R511 IonicContact OD2-CZ 2.59Å; D509-R511 IonicContact OD2-NE 2.69Å; D509-R511 PolarHBondContact OD2-NE 3.45Å; D509-R511 IonicContact OD2-NH2 2.71Å; D509-R511 PolarHBondContact OD2-NH2 2.69Å
510	A	25	Very low	27.6	Very low	92 Å²	92	127 Å²	127	76%	0.76	71%	0.711	S	S	*	*			trans	-70.5	88.7	-162.2	0	0	0	0	0	113.7	M508	M508-A510 PolarHBondContact O-N 2.84Å
511	R	29.2	Very low	27.5	Very low	116 Å²	116	129.9 Å²	129.9	44%	0.438	71%	0.707	S	S	.	*			trans	-131.4	132.7	178.7	-55.8	179.2	-166.7	-140.9	-2.7	110.4	D509 I513 E803	D509-R511 PolarHBondContact O-N 3.28Å; D509-R511 IonicContact OD2-CZ 2.59Å; D509-R511 IonicContact OD2-NE 2.69Å; D509-R511 PolarHBondContact OD2-NE 3.45Å; D509-R511 IonicContact OD2-NH2 2.71Å; D509-R511 PolarHBondContact OD2-NH2 2.69Å; R511-I513 PolarHBondContact O-N 3.25Å; R511-E803 IonicContact NH1-OE1 2.71Å; R511-E803 PolarHBondContact NH1-OE1 2.7Å; R511-E803 IonicContact NH1-OE2 3.57Å
512	L	24.2	Very low	27.4	Very low	108 Å²	108	132.5 Å²	132.5	57%	0.565	71%	0.714	S	S	*	*			trans	-72.6	92.3	175.6	-158.8	80.8	0	0	0	109.8	I514	L512-I514 HydrophobicContact CD2-CG1 4.16Å; L512-I514 HydrophobicContact CG-CG1 4.47Å; L512-I514 PolarHBondContact O-N 3.25Å
513	I	28	Very low	27.3	Very low	116 Å²	116	129.4 Å²	129.4	60%	0.595	72%	0.719	S	S	*	*			trans	-74.7	106.5	166.2	-58.2	178.6	0	0	0	106.5	R511 C515	R511-I513 PolarHBondContact O-N 3.25Å; I513-C515 VanDerWaalsContact C-N 3.26Å; I513-C515 PolarHBondContact O-N 2.95Å
514	I	26.9	Very low	27.3	Very low	62 Å²	62	128 Å²	128	32%	0.318	72%	0.715	S	S	.	*			trans	-74.7	86	174.2	-56.5	173.5	0	0	0	107.7	L512 F516 F804 V912	L512-I514 HydrophobicContact CD2-CG1 4.16Å; L512-I514 HydrophobicContact CG-CG1 4.47Å; L512-I514 PolarHBondContact O-N 3.25Å; I514-F516 HydrophobicContact CG2-CD1 4.37Å; I514-F516 HydrophobicContact CG2-CD2 4.44Å; I514-F516 HydrophobicContact CG2-CE1 3.88Å; I514-F516 HydrophobicContact CG2-CE2 3.96Å; I514-F516 HydrophobicContact CG2-CZ 3.65Å; I514-F804 HydrophobicContact CD1-CB 4.12Å; I514-V912 HydrophobicContact CD1-CG2 3.58Å
515	C	26	Very low	27.2	Very low	96 Å²	96	129.5 Å²	129.5	65%	0.649	72%	0.716	S	S	*	*			trans	-75.6	132.1	157.4	-68.6	0	0	0	0	107.8	I513 D517	I513-C515 VanDerWaalsContact C-N 3.26Å; I513-C515 PolarHBondContact O-N 2.95Å; C515-D517 PolarHBondContact O-N 3.11Å
516	F	25.9	Very low	27.1	Very low	103 Å²	103	129.9 Å²	129.9	45%	0.452	71%	0.714	S	S	.	*			trans	-89.5	87.2	175.4	-66.7	-82.7	0	0	0	108.9	I514 F865	I514-F516 HydrophobicContact CG2-CD1 4.37Å; I514-F516 HydrophobicContact CG2-CD2 4.44Å; I514-F516 HydrophobicContact CG2-CE1 3.88Å; I514-F516 HydrophobicContact CG2-CE2 3.96Å; I514-F516 HydrophobicContact CG2-CZ 3.65Å; F516-F865 HydrophobicContact CE1-CE1 4.42Å; F516-F865 HydrophobicContact CE2-CD1 4.48Å; F516-F865 HydrophobicContact CE2-CE1 4.28Å; F516-F865 HydrophobicContact CZ-CD1 4.42Å; F516-F865 AromaticContact CZ-CE1 3.84Å; F516-F865 HydrophobicContact CZ-CE1 3.84Å
517	D	25.5	Very low	27.2	Very low	146 Å²	146	133.9 Å²	133.9	78%	0.781	72%	0.719	S	S	*	*			trans	-132.4	126.6	162.9	-90.6	-56.6	0	0	0	106.7	C515 T519	C515-D517 PolarHBondContact O-N 3.11Å; D517-T519 PolarHBondContact O-N 3.42Å
518	D	24.2	Very low	27	Very low	169 Å²	169	133.5 Å²	133.5	90%	0.904	72%	0.717	S	S	*	*			trans	-76.6	90.6	-177.2	-74.8	-45.4	0	0	0	111.1
519	T	26.3	Very low	27	Very low	126 Å²	126	131 Å²	131	77%	0.773	71%	0.707	S	S	*	*			trans	-165.9	124.8	153.5	7	0	0	0	0	115.7	D517	D517-T519 PolarHBondContact O-N 3.42Å
520	V	27.7	Very low	26.9	Very low	138 Å²	138	131.4 Å²	131.4	84%	0.836	71%	0.71	S	S	*	*			trans	71.2	130.7	146.8	-179.3	0	0	0	0	120
521	E	24.8	Very low	27	Very low	161 Å²	161	131 Å²	131	75%	0.752	71%	0.707	S	S	*	*			trans	-88.7	-179.8	172.9	-58.5	171.8	110.6	0	0	113.3
522	N	26.2	Very low	27.1	Very low	152 Å²	152	133.9 Å²	133.9	81%	0.813	73%	0.725	S	S	*	*			trans	81.9	89.3	160	-55.6	-59.5	0	0	0	119.3
523	A	28.7	Very low	27.1	Very low	111 Å²	111	133.4 Å²	133.4	92%	0.917	73%	0.727	S	S	*	*			trans	-152.8	141.9	136.7	0	0	0	0	0	109.4
524	A	26.8	Very low	27	Very low	94 Å²	94	138 Å²	138	78%	0.777	74%	0.743	S	S	*	*			trans	-144.1	154.5	-173.6	0	0	0	0	0	114.3
525	Q	26.1	Very low	26.9	Very low	183 Å²	183	140 Å²	140	86%	0.855	75%	0.754	S	S	*	*			trans	76.3	151.3	161.7	-60.2	-179.7	-16.8	0	0	120.3
526	Q	26.9	Very low	26.8	Very low	163 Å²	163	138.4 Å²	138.4	76%	0.762	75%	0.754	S	S	*	*			trans	69.2	94.8	167.3	-53.6	-168	13.7	0	0	119.8
527	R	29	Very low	26.7	Very low	238 Å²	238	140 Å²	140	90%	0.898	77%	0.771	S	S	*	*				-170.7	167.2	96.7	-98	167.6	-172.5	-170.6	1.6	112.6
528	N	28.6	Very low	26.6	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	77%	0.769	S	S	*	*			trans	-104.1	150.5	-163.6	-65.5	-9.7	0	0	0	113.4
529	N	28.8	Very low	26.5	Very low	137 Å²	137	140.4 Å²	140.4	73%	0.733	76%	0.763	S	S	*	*			trans	64.6	141.6	140.8	-65.3	10.8	0	0	0	118.8
530	N	29.2	Very low	26.5	Very low	107 Å²	107	142.2 Å²	142.2	57%	0.572	76%	0.761	S	S	*	*			cis	-149.5	148.7	2.9	-102.4	-18.7	0	0	0	110.5
531	A	28.4	Very low	26.4	Very low	84 Å²	84	140.3 Å²	140.3	69%	0.694	75%	0.752	S	S	*	*			trans	-72.9	163.2	171.7	0	0	0	0	0	112.8	R116	R116-A531 PolarHBondContact NH1-O 2.87Å
532	E	29.6	Very low	26.3	Very low	177 Å²	177	135.9 Å²	135.9	83%	0.827	75%	0.749	S	S	*	*			trans	-80.9	128	173.7	-61.6	-175.6	132.1	0	0	111.8
533	T	26.3	Very low	26.3	Very low	98 Å²	98	134 Å²	134	60%	0.601	75%	0.748	S	S	*	*			trans	-106.3	122.7	165.1	33	0	0	0	0	109.8
534	F	25	Very low	26	Very low	213 Å²	213	137.9 Å²	137.9	93%	0.934	74%	0.744	S	S	*	*			trans	-106.7	103	175.7	-130.1	-78.1	0	0	0	109.2
535	D	24.9	Very low	25.9	Very low	104 Å²	104	138.3 Å²	138.3	56%	0.556	74%	0.739	S	S	*	*			trans	-145.6	132.4	-168.7	-167.8	20.7	0	0	0	112.3	S119	S119-D535 PolarHBondContact OG-OD2 2.72Å
536	G	23.8	Very low	25.8	Very low	62 Å²	62	137.5 Å²	137.5	64%	0.639	74%	0.74	S	S	*	*			trans	65.9	168.2	179.6	0	0	0	0	0	117.1
537	V	22.8	Very low	25.7	Very low	135 Å²	135	137 Å²	137	82%	0.818	74%	0.741	S	S	*	*			cis	-141.1	161.4	-12.4	179.5	0	0	0	0	108.8
538	I	24	Very low	25.5	Very low	143 Å²	143	131.7 Å²	131.7	73%	0.733	73%	0.73	S	S	*	*			trans	-96	146.9	-168.2	-62.1	158.6	0	0	0	113.4
539	K	21.8	Very low	25.3	Very low	181 Å²	181	133.4 Å²	133.4	79%	0.787	73%	0.733	S	S	*	*			trans	-166	125.5	139.8	-110.6	154.5	-171.4	166.4	0	116.4
540	F	26.3	Very low	25	Very low	165 Å²	165	132.8 Å²	132.8	72%	0.724	74%	0.738	S	S	*	*			trans	-110.4	-173.1	146.2	-77.8	-91	0	0	0	106.4
541	P	25.9	Very low	24.7	Very low	98 Å²	98	137.1 Å²	137.1	64%	0.636	76%	0.755	S	S	*	*			cis	-113.1	-174.5	-20.7	39.8	-27.7	0	0	0	111.8
542	G	22.6	Very low	24.5	Very low	68 Å²	68	140.6 Å²	140.6	70%	0.701	76%	0.759	S	S	*	*			trans	158.4	104.9	164.4	0	0	0	0	0	116
543	S	26.2	Very low	24.3	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	76%	0.755	S	S	*	*			trans	-95.5	123.2	167.3	53	0	0	0	0	110.7
544	F	23.5	Very low	24.3	Very low	193 Å²	193	139.4 Å²	139.4	85%	0.846	76%	0.76	S	S	*	*			trans	-138.3	162.2	172.6	-80.1	-69.9	0	0	0	110.2
545	P	23.9	Very low	24.4	Very low	103 Å²	103	134.9 Å²	134.9	67%	0.669	75%	0.752	S	S	*	*			trans	-94.4	177.1	-131.6	36.2	-39.9	0	0	0	115.5	I547	P545-I547 PolarHBondContact O-N 3.04Å
546	L	24.3	Very low	24.5	Very low	165 Å²	165	134.6 Å²	134.6	86%	0.864	76%	0.758	S	S	*	*			trans	-46.5	132.5	156.7	-73.6	147.3	0	0	0	110.6
547	I	24.9	Very low	24.7	Very low	154 Å²	154	137 Å²	137	79%	0.79	77%	0.766	S	S	*	*			trans	-127.9	123.4	158.4	-64.7	179.4	0	0	0	105.1	P545	P545-I547 PolarHBondContact O-N 3.04Å
548	D	25.3	Very low	25	Very low	125 Å²	125	137.8 Å²	137.8	67%	0.668	76%	0.764	S	S	*	*			trans	-69.1	-177.4	175.9	-78	-69.9	0	0	0	112
549	H	23.4	Very low	25.3	Very low	177 Å²	177	136.7 Å²	136.7	82%	0.819	76%	0.763	S	S	*	*			trans	77.2	74.1	175.3	-37.8	-58.7	0	0	0	116
550	C	23.2	Very low	25.7	Very low	125 Å²	125	132.1 Å²	132.1	85%	0.845	75%	0.752	S	S	*	*			trans	-143.3	72.2	140.9	-131.8	0	0	0	0	111.3	M552	C550-M552 VanDerWaalsContact C-N 3.32Å; C550-M552 PolarHBondContact O-N 3.38Å
551	Q	23.2	Very low	25.9	Very low	198 Å²	198	130.5 Å²	130.5	93%	0.925	76%	0.755	S	S	*	*			trans	-72.9	85.8	167.5	-72	-176	-5.4	0	0	109.5
552	M	24.2	Very low	26	Very low	157 Å²	157	133.1 Å²	133.1	77%	0.773	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-85.4	129.5	160	-79.2	-148.5	73.6	0	0	109.8	C550 L554	C550-M552 VanDerWaalsContact C-N 3.32Å; C550-M552 PolarHBondContact O-N 3.38Å; M552-L554 PolarHBondContact O-N 3.18Å
553	P	24.9	Very low	26.4	Very low	114 Å²	114	132.2 Å²	132.2	74%	0.74	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-65.4	128	173.2	27.5	-33	0	0	0	109.7
554	L	25.8	Very low	26.7	Very low	136 Å²	136	132.9 Å²	132.9	71%	0.712	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-65.5	130.8	174.2	-81.4	159	0	0	0	109.8	M552 S556	M552-L554 PolarHBondContact O-N 3.18Å; L554-S556 PolarHBondContact O-N 3.02Å
555	P	28	Very low	27.2	Very low	117 Å²	117	128.7 Å²	128.7	76%	0.76	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-56.5	125.1	173.6	-26.2	34.9	0	0	0	111.3
556	S	27.7	Very low	28.6	Very low	98 Å²	98	127.1 Å²	127.1	69%	0.685	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-69.6	137.3	176.8	36.9	0	0	0	0	111.3	L554 I558	L554-S556 PolarHBondContact O-N 3.02Å; S556-I558 PolarHBondContact O-N 3Å
557	S	27.7	Very low	29.9	Very low	114 Å²	114	121.2 Å²	121.2	80%	0.797	71%	0.714	S	S	*	*			trans	39.4	65.6	152.7	58.6	0	0	0	0	118
558	I	28.2	Very low	31.1	Very low	151 Å²	151	116.9 Å²	116.9	77%	0.774	69%	0.69	S	S	*	*			trans	-105.5	96.9	154.2	-56.2	-178.5	0	0	0	108.3	S556	S556-I558 PolarHBondContact O-N 3Å
559	V	29.6	Very low	32.5	Very low	120 Å²	120	119.3 Å²	119.3	73%	0.727	69%	0.69	S	S	*	*			trans	-78.1	119.1	163.3	177.9	0	0	0	0	106.6	V561	V559-V561 PolarHBondContact O-N 3.44Å
560	P	31.1	Very low	34.1	Very low	84 Å²	84	114.2 Å²	114.2	55%	0.545	66%	0.664	S	S	.	*			trans	-69.9	101.8	178.6	27.5	-32.7	0	0	0	109.6
561	V	30.3	Very low	35.7	Very low	131 Å²	131	108.3 Å²	108.3	79%	0.794	62%	0.624	S	S	*	*			trans	-63	149.3	172.9	176.6	0	0	0	0	109.6	V559 G563	V559-V561 PolarHBondContact O-N 3.44Å; V561-G563 PolarHBondContact O-N 2.91Å
562	V	28.8	Very low	37.4	Very low	153 Å²	153	100.4 Å²	100.4	93%	0.927	59%	0.588	S	S	*	*	S	Bend	trans	-49.4	106.1	-175.6	-176.5	0	0	0	0	112.1
563	G	29.9	Very low	39.1	Very low	50 Å²	50	95.6 Å²	95.6	52%	0.515	57%	0.57	S	S	.	*	S	Bend	trans	-176	81.8	-179.5	0	0	0	0	0	114.6	V561 V565	V561-G563 PolarHBondContact O-N 2.91Å; G563-V565 PolarHBondContact O-N 3.4Å
564	S	33.4	Very low	40.8	Very low	125 Å²	125	90.3 Å²	90.3	87%	0.874	54%	0.535	S	S	*	.	S	Bend	trans	49.4	-20.1	165.7	70.4	0	0	0	0	121.4	T566	S564-T566 PolarHBondContact O-N 3.25Å
565	V	34.2	Very low	42.5	Very low	106 Å²	106	84 Å²	84	64%	0.642	50%	0.502	S	S	*	.	S	Bend	trans	-63.7	107.3	170.8	-179.2	0	0	0	0	107.8	G563 V567 R569	G563-V565 PolarHBondContact O-N 3.4Å; V565-V567 PolarHBondContact O-N 3.02Å; V565-R569 HydrophobicContact CG1-CB 4.45Å
566	T	53.6	Low	43.9	Very low	69 Å²	69	83.1 Å²	83.1	42%	0.423	49%	0.488	S	S	.	.			trans	-58.8	138.6	-172.7	55.4	0	0	0	0	110.9	S564 E568 R569 Y570	S564-T566 PolarHBondContact O-N 3.25Å; T566-E568 PolarHBondContact O-N 2.88Å; T566-R569 WeakPolarHBondContact O-CB 3.37Å; T566-R569 PolarHBondContact O-N 2.96Å; T566-Y570 PolarHBondContact O-N 3.47Å
567	V	50.9	Low	45	Very low	41 Å²	41	82.7 Å²	82.7	25%	0.248	48%	0.481	C	S	.	.	H	α-helix	trans	-53	-32.9	174.7	178.3	0	0	0	0	110.3	V565 R569 Y570 L571 L593 A596 T601	V565-V567 PolarHBondContact O-N 3.02Å; V567-R569 PolarHBondContact O-N 2.69Å; V567-Y570 WeakPolarHBondContact O-CB 3.24Å; V567-Y570 PolarHBondContact O-N 3.39Å; V567-Y570 VanDerWaalsContact O-N 3.13Å; V567-L571 HydrophobicContact CG1-CD1 3.87Å; V567-L571 HydrophobicContact CG1-CG 4.11Å; V567-L571 WeakPolarHBondContact O-CB 3.24Å; V567-L571 WeakPolarHBondContact O-CG 3.38Å; V567-L571 PolarHBondContact O-N 3.37Å; V567-L593 HydrophobicContact CG1-CD1 3.94Å; V567-L593 HydrophobicContact CG1-CD2 4.41Å; V567-A596 HydrophobicContact CG2-CB 4.24Å; V567-T601 HydrophobicContact CB-CG2 3.94Å; V567-T601 HydrophobicContact CG1-CG2 3.95Å
568	E	49.7	Very low	45.9	Very low	63 Å²	63	78 Å²	78	29%	0.294	45%	0.448	S	S	.	.	H	α-helix	trans	-58.9	-37.5	174.5	-55.7	-177	146.6	0	0	113.5	T566 L571 L572 T601 N604 S605	T566-E568 PolarHBondContact O-N 2.88Å; E568-L571 PolarHBondContact O-N 2.87Å; E568-L572 WeakPolarHBondContact O-CB 3.43Å; E568-L572 VanDerWaalsContact O-CG 3.29Å; E568-L572 WeakPolarHBondContact O-CG 3.25Å; E568-L572 PolarHBondContact O-N 3.47Å; E568-T601 HydrophobicContact CG-CG2 3.75Å; E568-N604 WeakPolarHBondContact OE1-CB 3.41Å; E568-N604 PolarHBondContact OE1-ND2 3.24Å; E568-S605 WeakPolarHBondContact CA-OG 3.44Å
569	R	54.3	Low	46.7	Very low	176 Å²	176	70.8 Å²	70.8	66%	0.664	41%	0.412	S	S	*	.	H	α-helix	trans	-67.8	-38.8	172	-78.7	-176.2	176.9	-179.2	0.2	112.5	V565 T566 V567 L571 S573	V565-R569 HydrophobicContact CG1-CB 4.45Å; T566-R569 WeakPolarHBondContact O-CB 3.37Å; T566-R569 PolarHBondContact O-N 2.96Å; V567-R569 PolarHBondContact O-N 2.69Å; R569-L571 VanDerWaalsContact C-N 3.33Å; R569-S573 WeakPolarHBondContact O-CB 3.34Å; R569-S573 PolarHBondContact O-N 3.37Å
570	Y	56.9	Low	47.7	Very low	71 Å²	71	68.3 Å²	68.3	28%	0.278	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-38.3	174	-178.2	-93.6	0	0	0	111.4	T566 V567 L574 L593	T566-Y570 PolarHBondContact O-N 3.47Å; V567-Y570 WeakPolarHBondContact O-CB 3.24Å; V567-Y570 PolarHBondContact O-N 3.39Å; V567-Y570 VanDerWaalsContact O-N 3.13Å; Y570-L574 WeakPolarHBondContact O-CB 3.48Å; Y570-L574 PolarHBondContact O-N 2.79Å; Y570-L593 HydrophobicContact CD1-CD1 4.25Å; Y570-L593 HydrophobicContact CD1-CD2 4.25Å; Y570-L593 HydrophobicContact CE1-CD1 4.45Å; Y570-L593 HydrophobicContact CE1-CD2 4.36Å
571	L	57.8	Low	48.4	Very low	0 Å²	0	71.3 Å²	71.3	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-65.9	-47.9	175.4	-67.9	170.9	0	0	0	111.4	V567 E568 R569 S573 L574 F575 L590 L593 L597 T601 S605	V567-L571 HydrophobicContact CG1-CD1 3.87Å; V567-L571 HydrophobicContact CG1-CG 4.11Å; V567-L571 WeakPolarHBondContact O-CB 3.24Å; V567-L571 WeakPolarHBondContact O-CG 3.38Å; V567-L571 PolarHBondContact O-N 3.37Å; E568-L571 PolarHBondContact O-N 2.87Å; R569-L571 VanDerWaalsContact C-N 3.33Å; L571-S573 PolarHBondContact O-N 2.73Å; L571-L574 WeakPolarHBondContact O-CB 3.21Å; L571-L574 PolarHBondContact O-N 2.92Å; L571-F575 WeakPolarHBondContact O-CD2 3.48Å; L571-F575 PolarHBondContact O-N 3.46Å; L571-L590 HydrophobicContact CD2-CD2 3.06Å; L571-L593 HydrophobicContact CD2-CD1 3.95Å; L571-L597 HydrophobicContact CD1-CD1 3.75Å; L571-L597 HydrophobicContact CD2-CD1 4.01Å; L571-L597 HydrophobicContact CG-CD1 4.5Å; L571-T601 HydrophobicContact CD1-CG2 4.07Å; L571-S605 WeakPolarHBondContact CD1-OG 3.24Å
572	L	58.4	Low	49.8	Very low	33 Å²	33	68.1 Å²	68.1	17%	0.173	38%	0.383	C	S	.	.	H	α-helix	trans	-51.5	-55	171.6	-79.2	163.1	0	0	0	110.8	E568 L574 F575 E576 T608 V609	E568-L572 WeakPolarHBondContact O-CB 3.43Å; E568-L572 VanDerWaalsContact O-CG 3.29Å; E568-L572 WeakPolarHBondContact O-CG 3.25Å; E568-L572 PolarHBondContact O-N 3.47Å; L572-L574 VanDerWaalsContact C-N 3.31Å; L572-L574 PolarHBondContact O-N 2.77Å; L572-F575 CarbonylContact O-C 3.57Å; L572-F575 PolarHBondContact O-N 3.45Å; L572-F575 VanDerWaalsContact O-N 3.14Å; L572-E576 WeakPolarHBondContact O-CB 3.46Å; L572-E576 VanDerWaalsContact O-CG 3.29Å; L572-E576 WeakPolarHBondContact O-CG 3.34Å; L572-E576 PolarHBondContact O-N 3.39Å; L572-T608 HydrophobicContact CD1-CG2 4.34Å; L572-T608 HydrophobicContact CD2-CG2 3.88Å; L572-V609 HydrophobicContact CD2-CG2 3.8Å
573	S	59.1	Low	51.3	Low	56 Å²	56	62.4 Å²	62.4	39%	0.392	35%	0.349	S	S	.	.	H	α-helix	trans	-56.7	-40.3	177.2	-179.6	0	0	0	0	113.2	R569 L571 E576 T577	R569-S573 WeakPolarHBondContact O-CB 3.34Å; R569-S573 PolarHBondContact O-N 3.37Å; L571-S573 PolarHBondContact O-N 2.73Å; S573-E576 PolarHBondContact O-N 3.5Å; S573-T577 WeakPolarHBondContact O-CB 3.08Å; S573-T577 WeakPolarHBondContact O-CG2 3.28Å; S573-T577 PolarHBondContact O-N 2.93Å; S573-T577 PolarHBondContact O-OG1 2.96Å
574	L	62.3	Low	52.8	Low	3 Å²	3	62.7 Å²	62.7	2%	0.016	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-46.5	176.4	-169.6	80.8	0	0	0	111.7	Y570 L571 L572 S578 A579 A586 R589 L590	Y570-L574 WeakPolarHBondContact O-CB 3.48Å; Y570-L574 PolarHBondContact O-N 2.79Å; L571-L574 WeakPolarHBondContact O-CB 3.21Å; L571-L574 PolarHBondContact O-N 2.92Å; L572-L574 VanDerWaalsContact C-N 3.31Å; L572-L574 PolarHBondContact O-N 2.77Å; L574-S578 PolarHBondContact O-N 3.09Å; L574-S578 VanDerWaalsContact O-N 3.09Å; L574-S578 PolarHBondContact O-OG 3.14Å; L574-S578 VanDerWaalsContact O-OG 3.13Å; L574-A579 PolarHBondContact O-N 3.39Å; L574-A586 HydrophobicContact CD2-CB 4.04Å; L574-A586 HydrophobicContact CG-CB 4.21Å; L574-R589 HydrophobicContact CD1-CB 3.88Å; L574-R589 HydrophobicContact CD1-CG 4.27Å; L574-R589 HydrophobicContact CD2-CB 4.46Å; L574-L590 HydrophobicContact CD2-CD2 3.49Å; L574-L590 VanDerWaalsContact CD2-CD2 3.49Å; L574-L590 HydrophobicContact CD2-CG 3.75Å
575	F	61.3	Low	54.2	Low	3 Å²	3	60 Å²	60	1%	0.013	32%	0.321	C	S	.	.	H	α-helix	trans	-67.5	-35.3	176.5	-77.7	-67.7	0	0	0	112.2	L571 L572 A579 F580 I606 V609 R613 I640 L643	L571-F575 WeakPolarHBondContact O-CD2 3.48Å; L571-F575 PolarHBondContact O-N 3.46Å; L572-F575 CarbonylContact O-C 3.57Å; L572-F575 PolarHBondContact O-N 3.45Å; L572-F575 VanDerWaalsContact O-N 3.14Å; F575-A579 HydrophobicContact CD1-CB 3.92Å; F575-F580 WeakPolarHBondContact O-CD2 3.33Å; F575-F580 WeakPolarHBondContact O-CE2 3.47Å; F575-I606 HydrophobicContact CE2-CG1 4.3Å; F575-I606 HydrophobicContact CZ-CG1 4.04Å; F575-V609 HydrophobicContact CB-CB 4.46Å; F575-V609 HydrophobicContact CB-CG1 4.02Å; F575-V609 HydrophobicContact CB-CG2 3.56Å; F575-V609 HydrophobicContact CD2-CG2 3.69Å; F575-V609 HydrophobicContact CG-CG1 4.34Å; F575-V609 HydrophobicContact CG-CG2 3.8Å; F575-R613 PolarHBondContact O-NH1 2.87Å; F575-I640 HydrophobicContact CD1-CG1 4Å; F575-I640 HydrophobicContact CE1-CB 4.35Å; F575-I640 HydrophobicContact CE1-CG1 3.82Å; F575-I640 HydrophobicContact CE1-CG2 4.06Å; F575-I640 HydrophobicContact CZ-CG2 4.46Å; F575-L643 HydrophobicContact CD1-CD2 4.37Å; F575-L643 HydrophobicContact CE1-CD2 3.6Å; F575-L643 HydrophobicContact CZ-CD2 4.03Å
576	E	55.8	Low	55.6	Low	99 Å²	99	54.9 Å²	54.9	46%	0.463	29%	0.291	S	S	.	.	H	α-helix	trans	-67.6	-54.3	177.5	-77.7	166.4	178.5	0	0	111.8	L572 S573 R613	L572-E576 WeakPolarHBondContact O-CB 3.46Å; L572-E576 VanDerWaalsContact O-CG 3.29Å; L572-E576 WeakPolarHBondContact O-CG 3.34Å; L572-E576 PolarHBondContact O-N 3.39Å; S573-E576 PolarHBondContact O-N 3.5Å; E576-R613 PolarHBondContact O-NH2 2.65Å
577	T	52.4	Low	56.3	Low	88 Å²	88	52 Å²	52	54%	0.54	27%	0.273	S	S	.	.	H	α-helix	trans	-93.1	-29.4	-166.1	61.7	0	0	0	0	115.6	S573	S573-T577 WeakPolarHBondContact O-CB 3.08Å; S573-T577 WeakPolarHBondContact O-CG2 3.28Å; S573-T577 PolarHBondContact O-N 2.93Å; S573-T577 PolarHBondContact O-OG1 2.96Å
578	S	45.6	Very low	57.2	Low	15 Å²	15	57.4 Å²	57.4	11%	0.105	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	-26.3	-162.1	43.2	0	0	0	0	116.4	L574 F580 L581 T582	L574-S578 PolarHBondContact O-N 3.09Å; L574-S578 VanDerWaalsContact O-N 3.09Å; L574-S578 PolarHBondContact O-OG 3.14Å; L574-S578 VanDerWaalsContact O-OG 3.13Å; S578-F580 PolarHBondContact O-N 2.77Å; S578-F580 VanDerWaalsContact O-N 3.11Å; S578-L581 PolarHBondContact O-N 3.44Å; S578-L581 VanDerWaalsContact O-N 3.09Å; S578-T582 PolarHBondContact O-N 3.27Å
579	A	45.6	Very low	58.1	Low	1 Å²	1	58.2 Å²	58.2	1%	0.008	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.9	178.5	0	0	0	0	0	114.3	L574 F575 A586 L643	L574-A579 PolarHBondContact O-N 3.39Å; F575-A579 HydrophobicContact CD1-CB 3.92Å; A579-A586 HydrophobicContact CB-CB 4.32Å; A579-L643 HydrophobicContact CB-CD2 4.41Å
580	F	49.3	Very low	59	Low	68 Å²	68	49.9 Å²	49.9	30%	0.298	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-16.8	178.9	-78.5	-108.1	0	0	0	113.9	F575 S578 F615	F575-F580 WeakPolarHBondContact O-CD2 3.33Å; F575-F580 WeakPolarHBondContact O-CE2 3.47Å; S578-F580 PolarHBondContact O-N 2.77Å; S578-F580 VanDerWaalsContact O-N 3.11Å; F580-F615 HydrophobicContact CE1-CE1 4.12Å; F580-F615 AromaticContact CZ-CE1 3.7Å; F580-F615 HydrophobicContact CZ-CE1 3.7Å; F580-F615 AromaticContact CZ-CZ 3.78Å; F580-F615 HydrophobicContact CZ-CZ 3.78Å
581	L	46.8	Very low	59.8	Low	146 Å²	146	50.3 Å²	50.3	76%	0.764	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.4	-39.6	-174.4	-67.4	169.4	0	0	0	112	S578	S578-L581 PolarHBondContact O-N 3.44Å; S578-L581 VanDerWaalsContact O-N 3.09Å
582	T	60.2	Low	60.6	Low	65 Å²	65	54.8 Å²	54.8	40%	0.399	30%	0.298	S	S	.	.			trans	-145.6	91.1	177.3	40.8	0	0	0	0	112.8	S578 A584 L585 A586	S578-T582 PolarHBondContact O-N 3.27Å; T582-A584 PolarHBondContact O-N 2.91Å; T582-A584 VanDerWaalsContact O-N 3.17Å; T582-L585 PolarHBondContact O-N 3.4Å; T582-L585 WeakPolarHBondContact OG1-CB 3.14Å; T582-A586 PolarHBondContact O-N 3.05Å; T582-A586 VanDerWaalsContact O-N 3.12Å
583	P	59.8	Low	61.1	Low	32 Å²	32	54.6 Å²	54.6	21%	0.208	30%	0.297	C	S	.	.	H	α-helix	trans	-53.7	-36	175.7	-29	36.2	0	0	0	113.7	L585 A586 C587 L643	P583-L585 PolarHBondContact O-N 3.38Å; P583-A586 PolarHBondContact O-N 2.9Å; P583-C587 VanDerWaalsContact O-CB 3.31Å; P583-C587 WeakPolarHBondContact O-CB 3.19Å; P583-C587 PolarHBondContact O-N 3.42Å; P583-L643 WeakPolarHBondContact O-CD1 3.09Å
584	A	61.1	Low	61.8	Low	57 Å²	57	53.4 Å²	53.4	47%	0.471	29%	0.294	S	S	.	.	H	α-helix	trans	-66.1	-33	177.1	0	0	0	0	0	113.8	T582 K588	T582-A584 PolarHBondContact O-N 2.91Å; T582-A584 VanDerWaalsContact O-N 3.17Å; A584-K588 WeakPolarHBondContact O-CG 3.42Å; A584-K588 PolarHBondContact O-N 2.8Å
585	L	63.4	Low	62.2	Low	67 Å²	67	63.3 Å²	63.3	35%	0.351	34%	0.337	S	S	.	.	H	α-helix	trans	-74.3	-42	175.8	-177.6	63.8	0	0	0	110.7	T582 P583 C587 K588 R589	T582-L585 PolarHBondContact O-N 3.4Å; T582-L585 WeakPolarHBondContact OG1-CB 3.14Å; P583-L585 PolarHBondContact O-N 3.38Å; L585-C587 VanDerWaalsContact C-N 3.31Å; L585-C587 PolarHBondContact O-N 3.18Å; L585-K588 PolarHBondContact O-N 3.07Å; L585-R589 PolarHBondContact O-N 3.27Å
586	A	64.3	Low	62.6	Low	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-58.7	-44	170.8	0	0	0	0	0	110.8	L574 A579 T582 P583 K588 R589 L590 L643	L574-A586 HydrophobicContact CD2-CB 4.04Å; L574-A586 HydrophobicContact CG-CB 4.21Å; A579-A586 HydrophobicContact CB-CB 4.32Å; T582-A586 PolarHBondContact O-N 3.05Å; T582-A586 VanDerWaalsContact O-N 3.12Å; P583-A586 PolarHBondContact O-N 2.9Å; A586-K588 PolarHBondContact O-N 3.49Å; A586-R589 PolarHBondContact O-N 3.04Å; A586-R589 VanDerWaalsContact O-N 3.16Å; A586-L590 WeakPolarHBondContact O-CG 3.18Å; A586-L590 PolarHBondContact O-N 2.94Å; A586-L643 HydrophobicContact CB-CD1 3.86Å; A586-L643 HydrophobicContact CB-CD2 3.92Å
587	C	67.5	Low	63.6	Low	7 Å²	7	61 Å²	61	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-46	177.8	-171.6	0	0	0	0	112	P583 L585 R589 L590 H591 L643 Q646	P583-C587 VanDerWaalsContact O-CB 3.31Å; P583-C587 WeakPolarHBondContact O-CB 3.19Å; P583-C587 PolarHBondContact O-N 3.42Å; L585-C587 VanDerWaalsContact C-N 3.31Å; L585-C587 PolarHBondContact O-N 3.18Å; C587-R589 VanDerWaalsContact C-N 3.34Å; C587-R589 PolarHBondContact O-N 3.24Å; C587-L590 PolarHBondContact O-N 3.43Å; C587-H591 WeakPolarHBondContact O-CB 3.37Å; C587-H591 PolarHBondContact O-N 3.37Å; C587-L643 VanDerWaalsContact CA-CD1 3.49Å; C587-L643 HydrophobicContact CB-CD1 3.66Å; C587-L643 VanDerWaalsContact N-CD1 3.28Å; C587-Q646 HydrophobicContact CB-CB 4.21Å
588	K	70.6	Confident	65.1	Low	155 Å²	155	59.5 Å²	59.5	67%	0.674	33%	0.326	S	S	*	.	H	α-helix	trans	-56.8	-45.6	173.3	-76.7	176.7	175	-177.1	0	111.8	A584 L585 A586 H591 S592	A584-K588 WeakPolarHBondContact O-CG 3.42Å; A584-K588 PolarHBondContact O-N 2.8Å; L585-K588 PolarHBondContact O-N 3.07Å; A586-K588 PolarHBondContact O-N 3.49Å; K588-H591 PolarHBondContact O-N 2.8Å; K588-S592 PolarHBondContact O-N 2.91Å; K588-S592 PolarHBondContact O-OG 3.08Å
589	R	68.3	Low	67	Low	80 Å²	80	60.1 Å²	60.1	30%	0.302	33%	0.329	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176.6	-72.9	176.4	171.8	-174.2	-3.1	112.8	L574 L585 A586 C587 H591 S592 L593	L574-R589 HydrophobicContact CD1-CB 3.88Å; L574-R589 HydrophobicContact CD1-CG 4.27Å; L574-R589 HydrophobicContact CD2-CB 4.46Å; L585-R589 PolarHBondContact O-N 3.27Å; A586-R589 PolarHBondContact O-N 3.04Å; A586-R589 VanDerWaalsContact O-N 3.16Å; C587-R589 VanDerWaalsContact C-N 3.34Å; C587-R589 PolarHBondContact O-N 3.24Å; R589-H591 VanDerWaalsContact C-N 3.31Å; R589-H591 PolarHBondContact O-N 3.23Å; R589-S592 WeakPolarHBondContact CA-OG 3.49Å; R589-S592 PolarHBondContact O-N 3.44Å; R589-S592 PolarHBondContact O-OG 3.08Å; R589-L593 PolarHBondContact O-N 3.31Å
590	L	72.3	Confident	68.9	Low	1 Å²	1	63.3 Å²	63.3	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-32	173.3	-67.4	-170.2	0	0	0	113	L571 L574 A586 C587 L593 L597 L643 L647 R651	L571-L590 HydrophobicContact CD2-CD2 3.06Å; L574-L590 HydrophobicContact CD2-CD2 3.49Å; L574-L590 VanDerWaalsContact CD2-CD2 3.49Å; L574-L590 HydrophobicContact CD2-CG 3.75Å; A586-L590 WeakPolarHBondContact O-CG 3.18Å; A586-L590 PolarHBondContact O-N 2.94Å; C587-L590 PolarHBondContact O-N 3.43Å; L590-L593 HydrophobicContact CD2-CD1 4.29Å; L590-L597 HydrophobicContact CB-CD2 4.13Å; L590-L597 HydrophobicContact CD2-CD2 4.48Å; L590-L597 WeakPolarHBondContact O-CD2 3.32Å; L590-L643 HydrophobicContact CD1-CD1 3.92Å; L590-L643 HydrophobicContact CD1-CD2 3.8Å; L590-L643 HydrophobicContact CD1-CG 3.83Å; L590-L647 HydrophobicContact CB-CD1 4.03Å; L590-L647 HydrophobicContact CB-CD2 4.19Å; L590-L647 HydrophobicContact CD1-CD2 3.81Å; L590-R651 PolarHBondContact O-NH2 3.33Å
591	H	73.5	Confident	70.3	Confident	81 Å²	81	61.3 Å²	61.3	38%	0.375	34%	0.338	S	S	.	.	H	α-helix	trans	-72.9	-43.3	175.8	-163.6	85.1	0	0	0	111.2	C587 K588 R589 L593 G594 L650 R651	C587-H591 WeakPolarHBondContact O-CB 3.37Å; C587-H591 PolarHBondContact O-N 3.37Å; K588-H591 PolarHBondContact O-N 2.8Å; R589-H591 VanDerWaalsContact C-N 3.31Å; R589-H591 PolarHBondContact O-N 3.23Å; H591-L593 PolarHBondContact O-N 3.16Å; H591-L593 VanDerWaalsContact O-N 3.17Å; H591-G594 PolarHBondContact O-N 2.87Å; H591-L650 HydrophobicContact CB-CD1 4.34Å; H591-L650 PolarHBondContact CE1-O 2.94Å; H591-R651 PolarHBondContact O-NH2 3.32Å
592	S	74.5	Confident	72.1	Confident	93 Å²	93	54.4 Å²	54.4	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-17.5	178.4	53.4	0	0	0	0	114.8	K588 R589 G594	K588-S592 PolarHBondContact O-N 2.91Å; K588-S592 PolarHBondContact O-OG 3.08Å; R589-S592 WeakPolarHBondContact CA-OG 3.49Å; R589-S592 PolarHBondContact O-N 3.44Å; R589-S592 PolarHBondContact O-OG 3.08Å; S592-G594 PolarHBondContact O-N 2.87Å; S592-G594 VanDerWaalsContact O-N 3.15Å
593	L	69.4	Low	73.3	Confident	29 Å²	29	51.3 Å²	51.3	15%	0.152	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-8.4	168.2	-67.9	172.5	0	0	0	113.4	V567 Y570 L571 R589 L590 H591 K595 A596 L597	V567-L593 HydrophobicContact CG1-CD1 3.94Å; V567-L593 HydrophobicContact CG1-CD2 4.41Å; Y570-L593 HydrophobicContact CD1-CD1 4.25Å; Y570-L593 HydrophobicContact CD1-CD2 4.25Å; Y570-L593 HydrophobicContact CE1-CD1 4.45Å; Y570-L593 HydrophobicContact CE1-CD2 4.36Å; L571-L593 HydrophobicContact CD2-CD1 3.95Å; R589-L593 PolarHBondContact O-N 3.31Å; L590-L593 HydrophobicContact CD2-CD1 4.29Å; H591-L593 PolarHBondContact O-N 3.16Å; H591-L593 VanDerWaalsContact O-N 3.17Å; L593-K595 PolarHBondContact O-N 3.46Å; L593-A596 WeakPolarHBondContact O-CB 3.34Å; L593-A596 PolarHBondContact O-N 3.05Å; L593-L597 HydrophobicContact CB-CB 4Å; L593-L597 HydrophobicContact CD1-CD1 4.19Å
594	G	73.3	Confident	74.3	Confident	32 Å²	32	52.2 Å²	52.2	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	-121.4	166.3	0	0	0	0	0	113	H591 S592 R651	H591-G594 PolarHBondContact O-N 2.87Å; S592-G594 PolarHBondContact O-N 2.87Å; S592-G594 VanDerWaalsContact O-N 3.15Å; G594-R651 PolarHBondContact O-NH1 2.92Å; G594-R651 PolarHBondContact O-NH2 2.82Å
595	K	71.3	Confident	75	Confident	210 Å²	210	49.6 Å²	49.6	91%	0.913	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.4	177.3	-66.6	-176.4	179.8	178.8	0	114.1	L593 L597	L593-K595 PolarHBondContact O-N 3.46Å; K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.47Å
596	A	69.4	Low	75.9	Confident	51 Å²	51	46.4 Å²	46.4	42%	0.421	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22	-177.4	0	0	0	0	0	113	V567 L593 T598	V567-A596 HydrophobicContact CG2-CB 4.24Å; L593-A596 WeakPolarHBondContact O-CB 3.34Å; L593-A596 PolarHBondContact O-N 3.05Å; A596-T598 VanDerWaalsContact C-N 3.32Å; A596-T598 PolarHBondContact O-N 2.96Å
597	L	77.8	Confident	76.7	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.249	C	C	.	.			trans	-80.8	78.3	172.5	-167	66.8	0	0	0	111	L571 L590 L593 K595 L602 L647 W655	L571-L597 HydrophobicContact CD1-CD1 3.75Å; L571-L597 HydrophobicContact CD2-CD1 4.01Å; L571-L597 HydrophobicContact CG-CD1 4.5Å; L590-L597 HydrophobicContact CB-CD2 4.13Å; L590-L597 HydrophobicContact CD2-CD2 4.48Å; L590-L597 WeakPolarHBondContact O-CD2 3.32Å; L593-L597 HydrophobicContact CB-CB 4Å; L593-L597 HydrophobicContact CD1-CD1 4.19Å; K595-L597 VanDerWaalsContact C-N 3.31Å; K595-L597 PolarHBondContact O-N 3.47Å; L597-L602 HydrophobicContact CD1-CB 3.97Å; L597-L602 HydrophobicContact CD1-CD1 4.38Å; L597-L602 HydrophobicContact CG-CB 4.35Å; L597-L647 HydrophobicContact CD2-CD2 3.98Å; L597-W655 HydrophobicContact CD2-CH2 4.46Å; L597-W655 HydrophobicContact CD2-CZ2 4.19Å; L597-W655 HydrophobicContact CG-CZ2 4.2Å; L597-W655 PolarHBondContact O-NE1 2.9Å; L597-W655 VanDerWaalsContact O-NE1 3.1Å
598	T	83.8	Confident	77.1	Confident	58 Å²	58	49.3 Å²	49.3	36%	0.356	26%	0.264	S	S	.	.			trans	-68.5	156.1	172	84.2	0	0	0	0	110.7	A596 Q600 T601 L602	A596-T598 VanDerWaalsContact C-N 3.32Å; A596-T598 PolarHBondContact O-N 2.96Å; T598-Q600 PolarHBondContact O-N 2.54Å; T598-Q600 PolarHBondContact OG1-N 2.98Å; T598-T601 PolarHBondContact O-N 3.25Å; T598-T601 WeakPolarHBondContact OG1-CB 3.32Å; T598-T601 PolarHBondContact OG1-N 3.3Å; T598-T601 PolarHBondContact OG1-OG1 3.4Å; T598-L602 PolarHBondContact O-N 2.67Å; T598-L602 VanDerWaalsContact O-N 3.14Å
599	P	85.6	Confident	77.2	Confident	28 Å²	28	42 Å²	42	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-55.1	-37.6	172.6	-28.1	37.3	0	0	0	113.1	T603 W655 A658 V659 L662	P599-T603 WeakPolarHBondContact O-CB 3.47Å; P599-T603 PolarHBondContact O-N 3.06Å; P599-T603 PolarHBondContact O-OG1 3.02Å; P599-W655 HydrophobicContact CG-CG 4.2Å; P599-A658 HydrophobicContact CB-CB 3.94Å; P599-A658 HydrophobicContact CG-CB 3.85Å; P599-V659 HydrophobicContact CB-CG2 3.73Å; P599-V659 HydrophobicContact CG-CG2 4.33Å; P599-L662 HydrophobicContact CB-CD1 3.75Å
600	Q	84.6	Confident	77.5	Confident	68 Å²	68	38.2 Å²	38.2	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-68.3	-47.3	179.7	-168.2	59.9	54.1	0	0	111.8	T598 L602 T603 N604	T598-Q600 PolarHBondContact O-N 2.54Å; T598-Q600 PolarHBondContact OG1-N 2.98Å; Q600-L602 VanDerWaalsContact C-N 3.31Å; Q600-L602 PolarHBondContact O-N 2.63Å; Q600-T603 PolarHBondContact O-N 3.47Å; Q600-T603 VanDerWaalsContact O-N 3.16Å; Q600-N604 PolarHBondContact NE2-OD1 3.43Å; Q600-N604 WeakPolarHBondContact O-CB 3.19Å; Q600-N604 VanDerWaalsContact O-CG 3.31Å; Q600-N604 PolarHBondContact O-N 2.95Å; Q600-N604 PolarHBondContact O-OD1 2.8Å
601	T	79.5	Confident	77.7	Confident	26 Å²	26	39.8 Å²	39.8	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-59.6	-41.1	179.7	-49.1	0	0	0	0	111.8	V567 E568 L571 T598 S605	V567-T601 HydrophobicContact CB-CG2 3.94Å; V567-T601 HydrophobicContact CG1-CG2 3.95Å; E568-T601 HydrophobicContact CG-CG2 3.75Å; L571-T601 HydrophobicContact CD1-CG2 4.07Å; T598-T601 PolarHBondContact O-N 3.25Å; T598-T601 WeakPolarHBondContact OG1-CB 3.32Å; T598-T601 PolarHBondContact OG1-N 3.3Å; T598-T601 PolarHBondContact OG1-OG1 3.4Å; T601-S605 WeakPolarHBondContact O-CB 3.24Å; T601-S605 PolarHBondContact O-N 2.89Å; T601-S605 VanDerWaalsContact O-N 3.15Å; T601-S605 PolarHBondContact O-OG 3.38Å
602	L	83.6	Confident	77.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-44.9	175	179.8	59.4	0	0	0	111.7	L597 T598 Q600 S605 I606 L644 L647 W655 V659	L597-L602 HydrophobicContact CD1-CB 3.97Å; L597-L602 HydrophobicContact CD1-CD1 4.38Å; L597-L602 HydrophobicContact CG-CB 4.35Å; T598-L602 PolarHBondContact O-N 2.67Å; T598-L602 VanDerWaalsContact O-N 3.14Å; Q600-L602 VanDerWaalsContact C-N 3.31Å; Q600-L602 PolarHBondContact O-N 2.63Å; L602-S605 PolarHBondContact O-N 3.27Å; L602-I606 HydrophobicContact CD1-CD1 3.77Å; L602-I606 HydrophobicContact CD1-CG1 4.2Å; L602-I606 HydrophobicContact CG-CD1 3.76Å; L602-I606 WeakPolarHBondContact O-CD1 3.13Å; L602-I606 WeakPolarHBondContact O-CG1 3.49Å; L602-I606 PolarHBondContact O-N 2.95Å; L602-L644 HydrophobicContact CD2-CD2 4.13Å; L602-L647 HydrophobicContact CD2-CD2 3.71Å; L602-W655 HydrophobicContact CD2-CH2 3.53Å; L602-W655 HydrophobicContact CD2-CZ2 4.09Å; L602-W655 HydrophobicContact CD2-CZ3 4.49Å; L602-V659 HydrophobicContact CD2-CG1 4.26Å; L602-V659 HydrophobicContact CD2-CG2 4.29Å
603	T	86.1	Confident	76.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-48	-178.7	-52.7	0	0	0	0	111.3	P599 Q600 S605 I606 I607 L662 L663 Q666	P599-T603 WeakPolarHBondContact O-CB 3.47Å; P599-T603 PolarHBondContact O-N 3.06Å; P599-T603 PolarHBondContact O-OG1 3.02Å; Q600-T603 PolarHBondContact O-N 3.47Å; Q600-T603 VanDerWaalsContact O-N 3.16Å; T603-S605 PolarHBondContact O-N 2.87Å; T603-I606 PolarHBondContact O-N 3.45Å; T603-I607 HydrophobicContact CG2-CD1 4.2Å; T603-I607 WeakPolarHBondContact O-CG1 3.48Å; T603-I607 PolarHBondContact O-N 2.94Å; T603-I607 VanDerWaalsContact O-N 3.09Å; T603-L662 HydrophobicContact CG2-CB 4.11Å; T603-L663 HydrophobicContact CG2-CB 3.92Å; T603-L663 HydrophobicContact CG2-CD1 3.71Å; T603-L663 HydrophobicContact CG2-CG 4.4Å; T603-Q666 HydrophobicContact CG2-CB 4.47Å
604	N	80.5	Confident	76.2	Confident	51 Å²	51	38.6 Å²	38.6	27%	0.273	22%	0.219	S	C	.	.	H	α-helix	trans	-51.4	-54.2	172.2	-75	0.5	0	0	0	110.8	E568 Q600 I606 I607 T608	E568-N604 WeakPolarHBondContact OE1-CB 3.41Å; E568-N604 PolarHBondContact OE1-ND2 3.24Å; Q600-N604 PolarHBondContact NE2-OD1 3.43Å; Q600-N604 WeakPolarHBondContact O-CB 3.19Å; Q600-N604 VanDerWaalsContact O-CG 3.31Å; Q600-N604 PolarHBondContact O-N 2.95Å; Q600-N604 PolarHBondContact O-OD1 2.8Å; N604-I606 VanDerWaalsContact C-N 3.34Å; N604-I606 PolarHBondContact O-N 3.35Å; N604-I607 PolarHBondContact O-N 3.4Å; N604-I607 VanDerWaalsContact O-N 3.14Å; N604-T608 PolarHBondContact O-N 3.06Å; N604-T608 PolarHBondContact O-OG1 3.49Å; N604-T608 VanDerWaalsContact O-OG1 3.06Å
605	S	75	Confident	75.3	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-62.5	-38.9	-174.7	-58.2	0	0	0	0	112.8	E568 L571 T601 L602 T603 T608 V609	E568-S605 WeakPolarHBondContact CA-OG 3.44Å; L571-S605 WeakPolarHBondContact CD1-OG 3.24Å; T601-S605 WeakPolarHBondContact O-CB 3.24Å; T601-S605 PolarHBondContact O-N 2.89Å; T601-S605 VanDerWaalsContact O-N 3.15Å; T601-S605 PolarHBondContact O-OG 3.38Å; L602-S605 PolarHBondContact O-N 3.27Å; T603-S605 PolarHBondContact O-N 2.87Å; S605-T608 PolarHBondContact O-N 2.91Å; S605-V609 VanDerWaalsContact O-CG2 3.25Å; S605-V609 WeakPolarHBondContact O-CG2 3.29Å; S605-V609 PolarHBondContact O-N 3.27Å
606	I	82.8	Confident	74	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-45.7	174.8	-70.8	159.8	0	0	0	110.7	F575 L602 T603 N604 V609 L610 I640 L644 L663 F689	F575-I606 HydrophobicContact CE2-CG1 4.3Å; F575-I606 HydrophobicContact CZ-CG1 4.04Å; L602-I606 HydrophobicContact CD1-CD1 3.77Å; L602-I606 HydrophobicContact CD1-CG1 4.2Å; L602-I606 HydrophobicContact CG-CD1 3.76Å; L602-I606 WeakPolarHBondContact O-CD1 3.13Å; L602-I606 WeakPolarHBondContact O-CG1 3.49Å; L602-I606 PolarHBondContact O-N 2.95Å; T603-I606 PolarHBondContact O-N 3.45Å; N604-I606 VanDerWaalsContact C-N 3.34Å; N604-I606 PolarHBondContact O-N 3.35Å; I606-V609 PolarHBondContact O-N 2.83Å; I606-L610 HydrophobicContact CG2-CD1 3.85Å; I606-L610 HydrophobicContact CG2-CG 4.5Å; I606-L610 VanDerWaalsContact O-CG 3.27Å; I606-L610 WeakPolarHBondContact O-CG 3.21Å; I606-L610 PolarHBondContact O-N 2.79Å; I606-I640 HydrophobicContact CG1-CG2 4.27Å; I606-I640 HydrophobicContact CG2-CG2 4.15Å; I606-L644 HydrophobicContact CD1-CD1 4.02Å; I606-L644 HydrophobicContact CD1-CD2 3.86Å; I606-L644 HydrophobicContact CD1-CG 4.29Å; I606-L663 HydrophobicContact CB-CD1 4.45Å; I606-L663 HydrophobicContact CD1-CD2 4.31Å; I606-L663 HydrophobicContact CG2-CD1 4.03Å; I606-F689 HydrophobicContact CG2-CE1 3.88Å; I606-F689 HydrophobicContact CG2-CE2 4.43Å; I606-F689 HydrophobicContact CG2-CZ 3.73Å
607	I	81.5	Confident	72.7	Confident	9 Å²	9	35.6 Å²	35.6	5%	0.046	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-43.8	178.4	-68	173.5	0	0	0	110.4	T603 N604 V609 L610 L611 L663 Q666 L667	T603-I607 HydrophobicContact CG2-CD1 4.2Å; T603-I607 WeakPolarHBondContact O-CG1 3.48Å; T603-I607 PolarHBondContact O-N 2.94Å; T603-I607 VanDerWaalsContact O-N 3.09Å; N604-I607 PolarHBondContact O-N 3.4Å; N604-I607 VanDerWaalsContact O-N 3.14Å; I607-V609 PolarHBondContact O-N 3.06Å; I607-L610 PolarHBondContact O-N 3.42Å; I607-L611 HydrophobicContact CG2-CD1 3.83Å; I607-L611 HydrophobicContact CG2-CG 4.3Å; I607-L611 WeakPolarHBondContact O-CB 3.17Å; I607-L611 VanDerWaalsContact O-CG 3.27Å; I607-L611 WeakPolarHBondContact O-CG 3.13Å; I607-L611 PolarHBondContact O-N 2.91Å; I607-L663 HydrophobicContact CD1-CD1 4.4Å; I607-L663 HydrophobicContact CG1-CD1 4.15Å; I607-Q666 HydrophobicContact CD1-CB 3.44Å; I607-Q666 VanDerWaalsContact CD1-CB 3.44Å; I607-Q666 HydrophobicContact CD1-CG 4.46Å; I607-L667 HydrophobicContact CD1-CD2 4.48Å; I607-L667 HydrophobicContact CG1-CD2 4.04Å
608	T	75.8	Confident	70.9	Confident	58 Å²	58	38.5 Å²	38.5	36%	0.356	22%	0.217	S	C	.	.	H	α-helix	trans	-60.6	-44.5	175.2	-49.9	0	0	0	0	111.4	L572 N604 S605 L610 L611 S612	L572-T608 HydrophobicContact CD1-CG2 4.34Å; L572-T608 HydrophobicContact CD2-CG2 3.88Å; N604-T608 PolarHBondContact O-N 3.06Å; N604-T608 PolarHBondContact O-OG1 3.49Å; N604-T608 VanDerWaalsContact O-OG1 3.06Å; S605-T608 PolarHBondContact O-N 2.91Å; T608-L610 VanDerWaalsContact C-N 3.33Å; T608-L610 PolarHBondContact O-N 3.27Å; T608-L611 PolarHBondContact O-N 2.96Å; T608-S612 VanDerWaalsContact O-CB 3.32Å; T608-S612 WeakPolarHBondContact O-CB 3.18Å; T608-S612 PolarHBondContact O-N 2.86Å; T608-S612 PolarHBondContact O-OG 3.33Å; T608-S612 VanDerWaalsContact O-OG 3.05Å
609	V	72.1	Confident	68.7	Low	2 Å²	2	39.8 Å²	39.8	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-59	-42	176	168.8	0	0	0	0	112.4	L572 F575 S605 I606 I607 R613 I640	L572-V609 HydrophobicContact CD2-CG2 3.8Å; F575-V609 HydrophobicContact CB-CB 4.46Å; F575-V609 HydrophobicContact CB-CG1 4.02Å; F575-V609 HydrophobicContact CB-CG2 3.56Å; F575-V609 HydrophobicContact CD2-CG2 3.69Å; F575-V609 HydrophobicContact CG-CG1 4.34Å; F575-V609 HydrophobicContact CG-CG2 3.8Å; S605-V609 VanDerWaalsContact O-CG2 3.25Å; S605-V609 WeakPolarHBondContact O-CG2 3.29Å; S605-V609 PolarHBondContact O-N 3.27Å; I606-V609 PolarHBondContact O-N 2.83Å; I607-V609 PolarHBondContact O-N 3.06Å; V609-R613 WeakPolarHBondContact O-CB 3.47Å; V609-R613 PolarHBondContact O-N 3.35Å; V609-R613 VanDerWaalsContact O-N 3.15Å; V609-I640 HydrophobicContact CG1-CD1 4.01Å
610	L	75.9	Confident	66.4	Low	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-41.3	178	-68.6	164.8	0	0	0	111.6	I606 I607 T608 G614 F615 E637 I640 L667 T685 L686 F689	I606-L610 HydrophobicContact CG2-CD1 3.85Å; I606-L610 HydrophobicContact CG2-CG 4.5Å; I606-L610 VanDerWaalsContact O-CG 3.27Å; I606-L610 WeakPolarHBondContact O-CG 3.21Å; I606-L610 PolarHBondContact O-N 2.79Å; I607-L610 PolarHBondContact O-N 3.42Å; T608-L610 VanDerWaalsContact C-N 3.33Å; T608-L610 PolarHBondContact O-N 3.27Å; L610-G614 PolarHBondContact O-N 3.22Å; L610-F615 HydrophobicContact CD2-CE2 4.39Å; L610-E637 HydrophobicContact CD2-CG 4.11Å; L610-I640 HydrophobicContact CD2-CD1 4.23Å; L610-L667 HydrophobicContact CD1-CD2 4.24Å; L610-T685 HydrophobicContact CB-CG2 4.08Å; L610-T685 HydrophobicContact CD2-CG2 3.77Å; L610-L686 HydrophobicContact CB-CD2 4.04Å; L610-L686 HydrophobicContact CD1-CD2 4.23Å; L610-F689 HydrophobicContact CD1-CB 3.95Å; L610-F689 HydrophobicContact CD1-CD1 3.42Å; L610-F689 VanDerWaalsContact CD1-CD1 3.42Å; L610-F689 HydrophobicContact CD1-CD2 4.17Å; L610-F689 HydrophobicContact CD1-CE1 3.96Å; L610-F689 HydrophobicContact CD1-CG 3.54Å; L610-F689 HydrophobicContact CD2-CB 3.76Å; L610-F689 HydrophobicContact CD2-CD2 3.98Å; L610-F689 HydrophobicContact CD2-CG 3.82Å; L610-F689 HydrophobicContact CG-CG 4.33Å
611	L	75.4	Confident	64	Low	34 Å²	34	38.3 Å²	38.3	18%	0.178	22%	0.217	C	C	.	.	H	α-helix	trans	-69.7	-44.5	177.5	-68.6	174.9	0	0	0	112.6	I607 T608 L678 Q682 L686	I607-L611 HydrophobicContact CG2-CD1 3.83Å; I607-L611 HydrophobicContact CG2-CG 4.3Å; I607-L611 WeakPolarHBondContact O-CB 3.17Å; I607-L611 VanDerWaalsContact O-CG 3.27Å; I607-L611 WeakPolarHBondContact O-CG 3.13Å; I607-L611 PolarHBondContact O-N 2.91Å; T608-L611 PolarHBondContact O-N 2.96Å; L611-L678 HydrophobicContact CD2-CD2 3.31Å; L611-Q682 HydrophobicContact CD2-CB 4.35Å; L611-Q682 PolarHBondContact O-NE2 3.08Å; L611-L686 HydrophobicContact CD2-CD1 4Å
612	S	68.6	Low	62	Low	81 Å²	81	45.7 Å²	45.7	57%	0.566	24%	0.242	S	C	*	.	H	α-helix	trans	-68.5	-32.3	-178.1	-66.1	0	0	0	0	113.2	T608	T608-S612 VanDerWaalsContact O-CB 3.32Å; T608-S612 WeakPolarHBondContact O-CB 3.18Å; T608-S612 PolarHBondContact O-N 2.86Å; T608-S612 PolarHBondContact O-OG 3.33Å; T608-S612 VanDerWaalsContact O-OG 3.05Å
613	R	61.7	Low	59.6	Low	84 Å²	84	48.6 Å²	48.6	32%	0.317	26%	0.256	S	S	.	.	H	α-helix	trans	-90.7	-24.4	-176.7	-84.7	-163.6	158.6	125.2	-17.3	115.7	F575 E576 V609 F615	F575-R613 PolarHBondContact O-NH1 2.87Å; E576-R613 PolarHBondContact O-NH2 2.65Å; V609-R613 WeakPolarHBondContact O-CB 3.47Å; V609-R613 PolarHBondContact O-N 3.35Å; V609-R613 VanDerWaalsContact O-N 3.15Å; R613-F615 VanDerWaalsContact C-N 3.35Å; R613-F615 HydrophobicContact CB-CD1 4.35Å; R613-F615 HydrophobicContact CB-CD2 4.28Å; R613-F615 HydrophobicContact CB-CE1 4.07Å; R613-F615 HydrophobicContact CB-CE2 3.98Å; R613-F615 HydrophobicContact CB-CG 4.45Å; R613-F615 HydrophobicContact CB-CZ 3.86Å; R613-F615 VanDerWaalsContact CD-CE1 3.45Å; R613-F615 HydrophobicContact CG-CE1 4.42Å; R613-F615 HydrophobicContact CG-CZ 4.27Å; R613-F615 PolarHBondContact O-N 3.02Å
614	G	55.2	Low	57.2	Low	13 Å²	13	49.7 Å²	49.7	13%	0.134	27%	0.265	C	S	.	.			trans	37	62.3	178.7	0	0	0	0	0	112.8	L610 H616 T681	L610-G614 PolarHBondContact O-N 3.22Å; G614-H616 PolarHBondContact O-N 2.61Å; G614-T681 WeakPolarHBondContact O-CG2 3.26Å
615	F	54.1	Low	54.7	Low	29 Å²	29	56.2 Å²	56.2	13%	0.127	29%	0.286	C	S	.	.			trans	-60.9	95.9	-164.4	-69.8	-78.2	0	0	0	111.8	F580 L610 R613 T617 V634 E637 T685 R688	F580-F615 HydrophobicContact CE1-CE1 4.12Å; F580-F615 AromaticContact CZ-CE1 3.7Å; F580-F615 HydrophobicContact CZ-CE1 3.7Å; F580-F615 AromaticContact CZ-CZ 3.78Å; F580-F615 HydrophobicContact CZ-CZ 3.78Å; L610-F615 HydrophobicContact CD2-CE2 4.39Å; R613-F615 VanDerWaalsContact C-N 3.35Å; R613-F615 HydrophobicContact CB-CD1 4.35Å; R613-F615 HydrophobicContact CB-CD2 4.28Å; R613-F615 HydrophobicContact CB-CE1 4.07Å; R613-F615 HydrophobicContact CB-CE2 3.98Å; R613-F615 HydrophobicContact CB-CG 4.45Å; R613-F615 HydrophobicContact CB-CZ 3.86Å; R613-F615 VanDerWaalsContact CD-CE1 3.45Å; R613-F615 HydrophobicContact CG-CE1 4.42Å; R613-F615 HydrophobicContact CG-CZ 4.27Å; R613-F615 PolarHBondContact O-N 3.02Å; F615-T617 PolarHBondContact O-N 3.38Å; F615-V634 HydrophobicContact CB-CG1 4.32Å; F615-E637 HydrophobicContact CD2-CG 4.41Å; F615-T685 HydrophobicContact CD2-CG2 3.73Å; F615-T685 HydrophobicContact CE2-CG2 4.47Å; F615-T685 PolarHBondContact N-OG1 3.42Å; F615-R688 PolarHBondContact O-NH2 3.33Å
616	H	45.5	Very low	52.6	Low	169 Å²	169	62.4 Å²	62.4	78%	0.782	32%	0.324	S	S	*	.			trans	-43.6	125	-173.8	-73.9	-43.3	0	0	0	112.8	G614	G614-H616 PolarHBondContact O-N 2.61Å
617	T	42.4	Very low	49.9	Very low	33 Å²	33	67.6 Å²	67.6	20%	0.202	36%	0.355	C	S	.	.			trans	-90.4	143.1	-177.1	60.7	0	0	0	0	108.8	F615 N619 E684 R688	F615-T617 PolarHBondContact O-N 3.38Å; T617-N619 PolarHBondContact O-N 3.24Å; T617-E684 WeakPolarHBondContact CB-OE2 3.32Å; T617-E684 HydrophobicContact CG2-CB 4.05Å; T617-E684 HydrophobicContact CG2-CG 3.83Å; T617-E684 WeakPolarHBondContact CG2-OE1 3.33Å; T617-E684 WeakPolarHBondContact CG2-OE2 2.98Å; T617-E684 PolarHBondContact OG1-OE2 2.83Å; T617-R688 VanDerWaalsContact CG2-CZ 3.45Å
618	A	39.3	Very low	47.5	Very low	63 Å²	63	75.5 Å²	75.5	52%	0.521	39%	0.392	S	S	.	.			trans	-73.8	87.4	169.3	0	0	0	0	0	107.1	L620 M623	A618-L620 PolarHBondContact O-N 2.81Å; A618-M623 HydrophobicContact CB-CE 4.09Å
619	N	37.5	Very low	45.4	Very low	84 Å²	84	76.6 Å²	76.6	45%	0.449	39%	0.392	S	S	.	.			trans	-15.8	120	-176	178.3	-54.2	0	0	0	112.7	T617 C621 R622	T617-N619 PolarHBondContact O-N 3.24Å; N619-C621 PolarHBondContact O-N 2.9Å; N619-C621 VanDerWaalsContact OD1-CB 3.27Å; N619-C621 WeakPolarHBondContact OD1-CB 3.35Å; N619-C621 PolarHBondContact OD1-N 3.06Å; N619-R622 WeakPolarHBondContact O-CB 3.39Å; N619-R622 PolarHBondContact O-N 3.29Å
620	L	37.4	Very low	43.4	Very low	17 Å²	17	81.9 Å²	81.9	9%	0.089	42%	0.417	C	S	.	.	H	α-helix	trans	-49.9	-33.9	-170.9	-105.1	155.2	0	0	0	114.1	A618 R622 M623 A624 E720 M723 I727	A618-L620 PolarHBondContact O-N 2.81Å; L620-R622 PolarHBondContact O-N 3.06Å; L620-M623 PolarHBondContact O-N 3.29Å; L620-M623 VanDerWaalsContact O-N 3.15Å; L620-A624 PolarHBondContact O-N 3.29Å; L620-E720 HydrophobicContact CD1-CB 3.81Å; L620-E720 HydrophobicContact CD1-CG 4.3Å; L620-E720 WeakPolarHBondContact CD1-O 3.3Å; L620-M723 HydrophobicContact CD1-CB 4.06Å; L620-M723 HydrophobicContact CD2-CB 3.83Å; L620-I727 HydrophobicContact CD2-CD1 3.52Å
621	C	34.4	Very low	41.6	Very low	49 Å²	49	86 Å²	86	33%	0.331	44%	0.443	S	S	.	.	H	α-helix	trans	-66	-15.8	176.9	-59.3	0	0	0	0	114	N619	N619-C621 PolarHBondContact O-N 2.9Å; N619-C621 VanDerWaalsContact OD1-CB 3.27Å; N619-C621 WeakPolarHBondContact OD1-CB 3.35Å; N619-C621 PolarHBondContact OD1-N 3.06Å
622	R	36.4	Very low	40	Very low	181 Å²	181	86.2 Å²	86.2	68%	0.683	44%	0.444	S	S	*	.	H	α-helix	trans	-80.3	-40.8	169.5	-72.5	-174.7	170.6	172.8	-1	112.5	N619 L620 A624 R625	N619-R622 WeakPolarHBondContact O-CB 3.39Å; N619-R622 PolarHBondContact O-N 3.29Å; L620-R622 PolarHBondContact O-N 3.06Å; R622-A624 PolarHBondContact O-N 3.12Å; R622-R625 PolarHBondContact O-N 3.34Å; R622-R625 VanDerWaalsContact O-N 3.14Å
623	M	34.5	Very low	38.8	Very low	62 Å²	62	91 Å²	91	31%	0.305	45%	0.449	S	S	.	.	H	α-helix	trans	-66.9	-23.2	178.4	-61	-163.5	-161.8	0	0	112.8	A618 L620 R625 I632	A618-M623 HydrophobicContact CB-CE 4.09Å; L620-M623 PolarHBondContact O-N 3.29Å; L620-M623 VanDerWaalsContact O-N 3.15Å; M623-R625 PolarHBondContact O-N 3.03Å; M623-R625 VanDerWaalsContact O-N 3.13Å; M623-I632 HydrophobicContact CE-CD1 4.01Å; M623-I632 HydrophobicContact CE-CG1 4.16Å; M623-I632 HydrophobicContact CE-CG2 4.19Å; M623-I632 HydrophobicContact SD-CD1 4.25Å; M623-I632 HydrophobicContact SD-CG1 4.32Å
624	A	34.9	Very low	38.4	Very low	23 Å²	23	88 Å²	88	19%	0.19	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-24.4	170.4	0	0	0	0	0	114.1	L620 R622 V765	L620-A624 PolarHBondContact O-N 3.29Å; R622-A624 PolarHBondContact O-N 3.12Å; A624-V765 HydrophobicContact CB-CG1 3.84Å; A624-V765 HydrophobicContact CB-CG2 4.29Å; A624-V765 VanDerWaalsContact O-CG2 3.27Å; A624-V765 WeakPolarHBondContact O-CG2 3.23Å
625	R	28.2	Very low	38.7	Very low	187 Å²	187	95.3 Å²	95.3	71%	0.706	47%	0.469	S	S	*	.	S	Bend	trans	-107.7	99.9	-178.5	-68.2	-172.8	-179.7	-170.5	1.4	112.8	R622 M623	R622-R625 PolarHBondContact O-N 3.34Å; R622-R625 VanDerWaalsContact O-N 3.14Å; M623-R625 PolarHBondContact O-N 3.03Å; M623-R625 VanDerWaalsContact O-N 3.13Å
626	V	31	Very low	39.2	Very low	132 Å²	132	94 Å²	94	80%	0.8	46%	0.464	S	S	*	.	S	Bend	trans	62.6	59.3	148.5	-159.1	0	0	0	0	116.2
627	V	26.7	Very low	40.4	Very low	109 Å²	109	86 Å²	86	66%	0.661	43%	0.427	S	S	*	.			trans	-136.6	154.5	159.9	-160.2	0	0	0	0	109.8
628	Q	30.9	Very low	41.7	Very low	175 Å²	175	89.7 Å²	89.7	82%	0.818	44%	0.437	S	S	*	.			trans	-58.7	150.6	159.9	-66.2	-175	1	0	0	109.4	E630	Q628-E630 PolarHBondContact O-N 3.41Å
629	F	30.4	Very low	43.1	Very low	82 Å²	82	87.9 Å²	87.9	36%	0.36	42%	0.42	S	S	.	.			trans	-77.8	77.6	179.9	-80.5	-146.6	0	0	0	109.5	I727 L769 K772	F629-I727 HydrophobicContact CD1-CG2 4.45Å; F629-I727 HydrophobicContact CE1-CG1 4.29Å; F629-I727 HydrophobicContact CE1-CG2 4.45Å; F629-L769 HydrophobicContact CZ-CD2 4Å; F629-K772 HydrophobicContact CE2-CD 4.38Å; F629-K772 VanDerWaalsContact CE2-NZ 3.26Å; F629-K772 VanDerWaalsContact CG-NZ 3.33Å; F629-K772 HydrophobicContact CZ-CD 4.32Å
630	E	30.6	Very low	44.9	Very low	113 Å²	113	84 Å²	84	53%	0.528	40%	0.399	S	S	.	.			trans	-61.2	135.3	160.2	-77.8	-136.4	144	0	0	109.2	Q628 I632 R633	Q628-E630 PolarHBondContact O-N 3.41Å; E630-I632 PolarHBondContact O-N 2.93Å; E630-R633 IonicContact OE1-CZ 2.69Å; E630-R633 IonicContact OE1-NH2 3.58Å; E630-R633 PolarHBondContact OE1-NH2 2.97Å; E630-R633 IonicContact OE2-CZ 3.45Å; E630-R633 VanDerWaalsContact OE2-CZ 3.23Å; E630-R633 IonicContact OE2-NE 3.16Å; E630-R633 PolarHBondContact OE2-NE 2.97Å; E630-R633 IonicContact OE2-NH2 2.71Å; E630-R633 PolarHBondContact OE2-NH2 3.41Å
631	P	38.8	Very low	47	Very low	85 Å²	85	84 Å²	84	55%	0.552	40%	0.4	S	S	*	.			trans	-59.1	127.4	172.5	-22.1	33.1	0	0	0	110.1	R633 R638	P631-R633 WeakPolarHBondContact O-CG 3.45Å; P631-R633 PolarHBondContact O-N 3.35Å; P631-R638 VanDerWaalsContact CB-NH2 3.31Å
632	I	41.8	Very low	49	Very low	39 Å²	39	83.1 Å²	83.1	20%	0.2	40%	0.396	C	S	.	.			trans	-53.2	113.4	-175.5	-46.4	177.8	0	0	0	109.1	M623 E630 V634 I727	M623-I632 HydrophobicContact CE-CD1 4.01Å; M623-I632 HydrophobicContact CE-CG1 4.16Å; M623-I632 HydrophobicContact CE-CG2 4.19Å; M623-I632 HydrophobicContact SD-CD1 4.25Å; M623-I632 HydrophobicContact SD-CG1 4.32Å; E630-I632 PolarHBondContact O-N 2.93Å; I632-V634 HydrophobicContact CB-CG2 4.16Å; I632-V634 HydrophobicContact CG2-CG2 3.65Å; I632-V634 PolarHBondContact O-N 3.12Å; I632-I727 HydrophobicContact CD1-CG2 4.3Å
633	R	42.9	Very low	51.1	Low	181 Å²	181	74.6 Å²	74.6	68%	0.683	36%	0.364	S	S	*	.			trans	-79.4	44	-170.2	-58.9	-170.2	-171.9	-151.1	5.3	112.6	E630 P631 K635	E630-R633 IonicContact OE1-CZ 2.69Å; E630-R633 IonicContact OE1-NH2 3.58Å; E630-R633 PolarHBondContact OE1-NH2 2.97Å; E630-R633 IonicContact OE2-CZ 3.45Å; E630-R633 VanDerWaalsContact OE2-CZ 3.23Å; E630-R633 IonicContact OE2-NE 3.16Å; E630-R633 PolarHBondContact OE2-NE 2.97Å; E630-R633 IonicContact OE2-NH2 2.71Å; E630-R633 PolarHBondContact OE2-NH2 3.41Å; P631-R633 WeakPolarHBondContact O-CG 3.45Å; P631-R633 PolarHBondContact O-N 3.35Å; R633-K635 PolarHBondContact O-N 3.32Å
634	V	54.6	Low	53.6	Low	23 Å²	23	71.8 Å²	71.8	14%	0.139	35%	0.35	C	S	.	.			trans	-67.8	104	175.3	-134.4	0	0	0	0	108.6	F615 I632 G636 E637 R638	F615-V634 HydrophobicContact CB-CG1 4.32Å; I632-V634 HydrophobicContact CB-CG2 4.16Å; I632-V634 HydrophobicContact CG2-CG2 3.65Å; I632-V634 PolarHBondContact O-N 3.12Å; V634-G636 VanDerWaalsContact C-N 3.31Å; V634-G636 PolarHBondContact O-N 2.98Å; V634-E637 WeakPolarHBondContact CB-OE2 3.43Å; V634-E637 WeakPolarHBondContact CG1-OE2 3.4Å; V634-R638 WeakPolarHBondContact O-CG 3.43Å
635	K	60.4	Low	56	Low	166 Å²	166	75.9 Å²	75.9	72%	0.722	37%	0.366	S	S	*	.	H	α-helix	trans	-66.2	-33.8	-175.5	-68.5	-175.5	178	-179.2	0	112	R633 C639	R633-K635 PolarHBondContact O-N 3.32Å; K635-C639 VanDerWaalsContact O-CB 3.3Å; K635-C639 WeakPolarHBondContact O-CB 3.46Å; K635-C639 PolarHBondContact O-N 3.01Å; K635-C639 PolarHBondContact O-SG 3.48Å
636	G	64.7	Low	58.6	Low	2 Å²	2	70.2 Å²	70.2	2%	0.021	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-63.2	-173.3	0	0	0	0	0	113.6	V634 R638 C639 I640	V634-G636 VanDerWaalsContact C-N 3.31Å; V634-G636 PolarHBondContact O-N 2.98Å; G636-R638 VanDerWaalsContact C-N 3.25Å; G636-R638 PolarHBondContact O-N 3.07Å; G636-C639 PolarHBondContact O-N 3.06Å; G636-I640 WeakPolarHBondContact O-CG1 3.46Å; G636-I640 PolarHBondContact O-N 2.88Å
637	E	70.8	Confident	61.1	Low	0 Å²	0	64 Å²	64	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.3	-40.5	-179.7	-64.3	92.2	139.8	0	0	111.2	L610 F615 V634 I640 V641 R688 F689 L692	L610-E637 HydrophobicContact CD2-CG 4.11Å; F615-E637 HydrophobicContact CD2-CG 4.41Å; V634-E637 WeakPolarHBondContact CB-OE2 3.43Å; V634-E637 WeakPolarHBondContact CG1-OE2 3.4Å; E637-I640 PolarHBondContact O-N 2.97Å; E637-V641 WeakPolarHBondContact O-CG2 3.25Å; E637-V641 PolarHBondContact O-N 3.47Å; E637-R688 IonicContact OE1-CZ 2.72Å; E637-R688 VanDerWaalsContact OE1-CZ 3.28Å; E637-R688 IonicContact OE1-NE 2.61Å; E637-R688 PolarHBondContact OE1-NE 2.86Å; E637-R688 IonicContact OE1-NH2 3.8Å; E637-R688 PolarHBondContact OE1-NH2 3.26Å; E637-F689 HydrophobicContact CB-CB 4.47Å; E637-F689 HydrophobicContact CB-CD2 4.1Å; E637-F689 HydrophobicContact CG-CB 4Å; E637-F689 HydrophobicContact CG-CD2 4.29Å; E637-L692 HydrophobicContact CB-CD1 3.72Å
638	R	69.2	Low	64	Low	110 Å²	110	59.3 Å²	59.3	42%	0.415	28%	0.28	S	S	.	.	H	α-helix	trans	-64.8	-40.4	175.1	-69.6	-179.3	177.3	-127.3	-8.3	112.9	P631 V634 G636 V641 A642 L692	P631-R638 VanDerWaalsContact CB-NH2 3.31Å; V634-R638 WeakPolarHBondContact O-CG 3.43Å; G636-R638 VanDerWaalsContact C-N 3.25Å; G636-R638 PolarHBondContact O-N 3.07Å; R638-V641 PolarHBondContact O-N 2.81Å; R638-A642 WeakPolarHBondContact O-CB 3.46Å; R638-A642 PolarHBondContact O-N 3.37Å; R638-L692 HydrophobicContact CG-CD1 4.12Å
639	C	68.4	Low	66.6	Low	26 Å²	26	56.1 Å²	56.1	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-37.5	173.6	-77.6	0	0	0	0	112.3	K635 G636 L643	K635-C639 VanDerWaalsContact O-CB 3.3Å; K635-C639 WeakPolarHBondContact O-CB 3.46Å; K635-C639 PolarHBondContact O-N 3.01Å; K635-C639 PolarHBondContact O-SG 3.48Å; G636-C639 PolarHBondContact O-N 3.06Å; C639-L643 WeakPolarHBondContact O-CB 3.14Å; C639-L643 PolarHBondContact O-N 3.32Å
640	I	75.9	Confident	69.1	Low	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-66.1	-43	175.3	-59.9	167.5	0	0	0	110.4	F575 I606 V609 L610 G636 E637 L643 L644 F689	F575-I640 HydrophobicContact CD1-CG1 4Å; F575-I640 HydrophobicContact CE1-CB 4.35Å; F575-I640 HydrophobicContact CE1-CG1 3.82Å; F575-I640 HydrophobicContact CE1-CG2 4.06Å; F575-I640 HydrophobicContact CZ-CG2 4.46Å; I606-I640 HydrophobicContact CG1-CG2 4.27Å; I606-I640 HydrophobicContact CG2-CG2 4.15Å; V609-I640 HydrophobicContact CG1-CD1 4.01Å; L610-I640 HydrophobicContact CD2-CD1 4.23Å; G636-I640 WeakPolarHBondContact O-CG1 3.46Å; G636-I640 PolarHBondContact O-N 2.88Å; E637-I640 PolarHBondContact O-N 2.97Å; I640-L643 PolarHBondContact O-N 3.32Å; I640-L644 HydrophobicContact CG2-CD1 4.09Å; I640-L644 WeakPolarHBondContact O-CB 3.15Å; I640-L644 WeakPolarHBondContact O-CG 3.06Å; I640-L644 PolarHBondContact O-N 2.98Å; I640-F689 HydrophobicContact CB-CE2 3.89Å; I640-F689 HydrophobicContact CG2-CE2 3.51Å; I640-F689 HydrophobicContact CG2-CZ 3.94Å
641	V	81.7	Confident	71.6	Confident	17 Å²	17	52.6 Å²	52.6	10%	0.103	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-45.7	176.8	170.5	0	0	0	0	111.8	E637 R638 L643 L644 E645 F689 L692 M696	E637-V641 WeakPolarHBondContact O-CG2 3.25Å; E637-V641 PolarHBondContact O-N 3.47Å; R638-V641 PolarHBondContact O-N 2.81Å; V641-L643 VanDerWaalsContact C-N 3.29Å; V641-L643 PolarHBondContact O-N 2.67Å; V641-L644 WeakPolarHBondContact O-CB 2.99Å; V641-L644 PolarHBondContact O-N 3.49Å; V641-L644 VanDerWaalsContact O-N 3.13Å; V641-E645 PolarHBondContact O-N 2.94Å; V641-F689 HydrophobicContact CG2-CD2 4.22Å; V641-F689 HydrophobicContact CG2-CE2 3.73Å; V641-F689 HydrophobicContact CG2-CZ 4.42Å; V641-L692 HydrophobicContact CG2-CB 3.95Å; V641-M696 HydrophobicContact CG1-CB 3.72Å; V641-M696 HydrophobicContact CG1-CG 3.97Å; V641-M696 HydrophobicContact CG1-SD 3.79Å; V641-M696 VanDerWaalsContact O-SD 3.34Å
642	A	77.1	Confident	73.9	Confident	31 Å²	31	52.9 Å²	52.9	26%	0.256	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-35.3	175.2	0	0	0	0	0	112.6	R638 E645 Q646	R638-A642 WeakPolarHBondContact O-CB 3.46Å; R638-A642 PolarHBondContact O-N 3.37Å; A642-E645 PolarHBondContact O-N 2.88Å; A642-Q646 VanDerWaalsContact O-CG 3.32Å; A642-Q646 WeakPolarHBondContact O-CG 3.39Å; A642-Q646 PolarHBondContact O-N 2.85Å; A642-Q646 VanDerWaalsContact O-N 3.09Å
643	L	79.6	Confident	75.9	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-67.3	-39.1	173.5	179.2	57.4	0	0	0	112	F575 A579 P583 A586 C587 L590 C639 I640 V641 L647	F575-L643 HydrophobicContact CD1-CD2 4.37Å; F575-L643 HydrophobicContact CE1-CD2 3.6Å; F575-L643 HydrophobicContact CZ-CD2 4.03Å; A579-L643 HydrophobicContact CB-CD2 4.41Å; P583-L643 WeakPolarHBondContact O-CD1 3.09Å; A586-L643 HydrophobicContact CB-CD1 3.86Å; A586-L643 HydrophobicContact CB-CD2 3.92Å; C587-L643 VanDerWaalsContact CA-CD1 3.49Å; C587-L643 HydrophobicContact CB-CD1 3.66Å; C587-L643 VanDerWaalsContact N-CD1 3.28Å; L590-L643 HydrophobicContact CD1-CD1 3.92Å; L590-L643 HydrophobicContact CD1-CD2 3.8Å; L590-L643 HydrophobicContact CD1-CG 3.83Å; C639-L643 WeakPolarHBondContact O-CB 3.14Å; C639-L643 PolarHBondContact O-N 3.32Å; I640-L643 PolarHBondContact O-N 3.32Å; V641-L643 VanDerWaalsContact C-N 3.29Å; V641-L643 PolarHBondContact O-N 2.67Å; L643-L647 WeakPolarHBondContact O-CB 3.44Å; L643-L647 PolarHBondContact O-N 3.4Å
644	L	86.3	Confident	78	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-40.4	173.7	-78.3	162.9	0	0	0	112.2	L602 I606 I640 V641 L647 F648 V659 L663 F689 F693 M696	L602-L644 HydrophobicContact CD2-CD2 4.13Å; I606-L644 HydrophobicContact CD1-CD1 4.02Å; I606-L644 HydrophobicContact CD1-CD2 3.86Å; I606-L644 HydrophobicContact CD1-CG 4.29Å; I640-L644 HydrophobicContact CG2-CD1 4.09Å; I640-L644 WeakPolarHBondContact O-CB 3.15Å; I640-L644 WeakPolarHBondContact O-CG 3.06Å; I640-L644 PolarHBondContact O-N 2.98Å; V641-L644 WeakPolarHBondContact O-CB 2.99Å; V641-L644 PolarHBondContact O-N 3.49Å; V641-L644 VanDerWaalsContact O-N 3.13Å; L644-L647 PolarHBondContact O-N 2.97Å; L644-F648 HydrophobicContact CD2-CE1 4.21Å; L644-F648 HydrophobicContact CD2-CZ 4.37Å; L644-F648 WeakPolarHBondContact O-CB 3.11Å; L644-F648 WeakPolarHBondContact O-CD1 3.43Å; L644-F648 WeakPolarHBondContact O-CG 3.12Å; L644-F648 PolarHBondContact O-N 2.74Å; L644-V659 HydrophobicContact CD2-CG1 4.39Å; L644-L663 HydrophobicContact CD1-CD2 4.16Å; L644-F689 HydrophobicContact CD1-CZ 3.92Å; L644-F693 HydrophobicContact CD1-CD2 3.97Å; L644-F693 HydrophobicContact CD1-CE2 3.88Å; L644-M696 HydrophobicContact CB-CE 4.14Å; L644-M696 HydrophobicContact CB-SD 3.97Å
645	E	85.6	Confident	79.7	Confident	109 Å²	109	53 Å²	53	51%	0.509	28%	0.278	S	S	.	.	H	α-helix	trans	-61	-49.8	175.4	-174.3	173.1	-149.2	0	0	111.4	V641 A642 L647 F648 N649 M696	V641-E645 PolarHBondContact O-N 2.94Å; A642-E645 PolarHBondContact O-N 2.88Å; E645-L647 PolarHBondContact O-N 3.47Å; E645-F648 PolarHBondContact O-N 3.06Å; E645-N649 PolarHBondContact O-N 2.99Å; E645-N649 PolarHBondContact O-ND2 2.98Å; E645-M696 HydrophobicContact CB-CG 4.26Å; E645-M696 HydrophobicContact CB-SD 3.8Å
646	Q	82.3	Confident	81.1	Confident	69 Å²	69	48.3 Å²	48.3	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-44.3	176.5	-68.7	176.5	15.9	0	0	112	C587 A642 N649 L650	C587-Q646 HydrophobicContact CB-CB 4.21Å; A642-Q646 VanDerWaalsContact O-CG 3.32Å; A642-Q646 WeakPolarHBondContact O-CG 3.39Å; A642-Q646 PolarHBondContact O-N 2.85Å; A642-Q646 VanDerWaalsContact O-N 3.09Å; Q646-N649 PolarHBondContact O-N 3.4Å; Q646-L650 PolarHBondContact O-N 3.36Å
647	L	84.3	Confident	82.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-36.8	179.1	-177.9	63.1	0	0	0	112.1	L590 L597 L602 L643 L644 E645 L650 R651 W655	L590-L647 HydrophobicContact CB-CD1 4.03Å; L590-L647 HydrophobicContact CB-CD2 4.19Å; L590-L647 HydrophobicContact CD1-CD2 3.81Å; L597-L647 HydrophobicContact CD2-CD2 3.98Å; L602-L647 HydrophobicContact CD2-CD2 3.71Å; L643-L647 WeakPolarHBondContact O-CB 3.44Å; L643-L647 PolarHBondContact O-N 3.4Å; L644-L647 PolarHBondContact O-N 2.97Å; E645-L647 PolarHBondContact O-N 3.47Å; L647-L650 PolarHBondContact O-N 3.28Å; L647-R651 HydrophobicContact CD1-CG 4.02Å; L647-R651 HydrophobicContact CG-CG 4.26Å; L647-R651 VanDerWaalsContact O-CG 3.23Å; L647-R651 WeakPolarHBondContact O-CG 3.5Å; L647-R651 PolarHBondContact O-N 3.08Å; L647-W655 HydrophobicContact CD2-CH2 3.78Å; L647-W655 HydrophobicContact CD2-CZ3 4.41Å; L647-W655 HydrophobicContact CG-CH2 4.08Å; L647-W655 HydrophobicContact CG-CZ3 4.32Å
648	F	88	Confident	83	Confident	11 Å²	11	52.3 Å²	52.3	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-47.4	173.7	-77.6	-3.8	0	0	0	110.3	L644 E645 L650 R651 W655 R656 V659 K660 F693 M696	L644-F648 HydrophobicContact CD2-CE1 4.21Å; L644-F648 HydrophobicContact CD2-CZ 4.37Å; L644-F648 WeakPolarHBondContact O-CB 3.11Å; L644-F648 WeakPolarHBondContact O-CD1 3.43Å; L644-F648 WeakPolarHBondContact O-CG 3.12Å; L644-F648 PolarHBondContact O-N 2.74Å; E645-F648 PolarHBondContact O-N 3.06Å; F648-L650 PolarHBondContact O-N 2.89Å; F648-L650 VanDerWaalsContact O-N 3.1Å; F648-R651 PolarHBondContact O-N 3.29Å; F648-W655 HydrophobicContact CD1-CZ3 4.05Å; F648-W655 HydrophobicContact CE1-CZ3 4.16Å; F648-R656 HydrophobicContact CB-CG 4.15Å; F648-R656 HydrophobicContact CD1-CB 4.33Å; F648-R656 HydrophobicContact CD1-CG 4.3Å; F648-R656 HydrophobicContact CG-CB 4.39Å; F648-R656 HydrophobicContact CG-CG 4.28Å; F648-R656 WeakPolarHBondContact O-CD 3.4Å; F648-R656 PolarHBondContact O-NE 3.19Å; F648-R656 PolarHBondContact O-NH1 2.94Å; F648-R656 PolarHBondContact O-NH2 3.31Å; F648-V659 HydrophobicContact CE1-CB 3.85Å; F648-V659 HydrophobicContact CE1-CG1 3.76Å; F648-V659 HydrophobicContact CE1-CG2 4.48Å; F648-V659 HydrophobicContact CZ-CB 4.11Å; F648-V659 HydrophobicContact CZ-CG1 3.86Å; F648-K660 HydrophobicContact CE2-CD 4.2Å; F648-K660 VanDerWaalsContact CE2-CE 3.46Å; F648-K660 HydrophobicContact CE2-CG 3.66Å; F648-K660 HydrophobicContact CZ-CG 3.77Å; F648-F693 HydrophobicContact CE2-CE2 4.24Å; F648-F693 HydrophobicContact CE2-CZ 4.32Å; F648-F693 HydrophobicContact CZ-CE2 4.24Å; F648-F693 HydrophobicContact CZ-CZ 4.19Å; F648-M696 HydrophobicContact CD2-CE 3.77Å; F648-M696 HydrophobicContact CE2-CE 3.38Å; F648-M696 HydrophobicContact CZ-CE 4.32Å
649	N	85	Confident	84	Confident	108 Å²	108	47 Å²	47	58%	0.578	27%	0.266	S	S	*	.	H	α-helix	trans	-54	-33.6	177.9	-71.1	-25.8	0	0	0	113.2	E645 Q646 R656	E645-N649 PolarHBondContact O-N 2.99Å; E645-N649 PolarHBondContact O-ND2 2.98Å; Q646-N649 PolarHBondContact O-N 3.4Å; N649-R656 PolarHBondContact O-NH2 3.14Å
650	L	83.2	Confident	85	Confident	93 Å²	93	48.6 Å²	48.6	49%	0.487	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.8	179.8	-60	179.1	0	0	0	116.2	H591 Q646 L647 F648	H591-L650 HydrophobicContact CB-CD1 4.34Å; H591-L650 PolarHBondContact CE1-O 2.94Å; Q646-L650 PolarHBondContact O-N 3.36Å; L647-L650 PolarHBondContact O-N 3.28Å; F648-L650 PolarHBondContact O-N 2.89Å; F648-L650 VanDerWaalsContact O-N 3.1Å
651	R	83.8	Confident	85.5	Confident	29 Å²	29	54.2 Å²	54.2	11%	0.109	30%	0.299	C	S	.	.	S	Bend	trans	-115.6	156.7	-172.9	-68.1	-74	-171.5	164.3	1	112.6	L590 H591 G594 L647 F648 W655 R656	L590-R651 PolarHBondContact O-NH2 3.33Å; H591-R651 PolarHBondContact O-NH2 3.32Å; G594-R651 PolarHBondContact O-NH1 2.92Å; G594-R651 PolarHBondContact O-NH2 2.82Å; L647-R651 HydrophobicContact CD1-CG 4.02Å; L647-R651 HydrophobicContact CG-CG 4.26Å; L647-R651 VanDerWaalsContact O-CG 3.23Å; L647-R651 WeakPolarHBondContact O-CG 3.5Å; L647-R651 PolarHBondContact O-N 3.08Å; F648-R651 PolarHBondContact O-N 3.29Å; R651-W655 HydrophobicContact CB-CD2 4.08Å; R651-W655 HydrophobicContact CB-CE3 3.47Å; R651-W655 VanDerWaalsContact CB-CE3 3.47Å; R651-W655 HydrophobicContact CB-CZ3 3.84Å; R651-W655 HydrophobicContact CG-CD2 4.25Å; R651-W655 HydrophobicContact CG-CE3 3.75Å; R651-W655 HydrophobicContact CG-CH2 4.13Å; R651-W655 HydrophobicContact CG-CZ3 3.7Å; R651-R656 VanDerWaalsContact O-CZ 3.25Å; R651-R656 PolarHBondContact O-NE 3.08Å; R651-R656 PolarHBondContact O-NH2 2.99Å
652	P	86.2	Confident	85.9	Confident	91 Å²	91	55.7 Å²	55.7	59%	0.591	31%	0.307	S	S	*	.			trans	-62.7	147.9	178.9	-23.7	34.8	0	0	0	113.1	A654 W655 R656	P652-A654 PolarHBondContact O-N 3.12Å; P652-W655 WeakPolarHBondContact O-CB 3.38Å; P652-W655 PolarHBondContact O-N 2.82Å; P652-R656 PolarHBondContact O-N 2.78Å
653	L	84.9	Confident	86.4	Confident	128 Å²	128	54.2 Å²	54.2	67%	0.67	30%	0.295	S	S	*	.	H	α-helix	trans	-54.6	-44.7	-174.3	-177.7	61.6	0	0	0	113.5	W655 R656 S657	L653-W655 VanDerWaalsContact C-N 3.3Å; L653-W655 PolarHBondContact O-N 3.36Å; L653-R656 WeakPolarHBondContact O-CB 3.38Å; L653-R656 PolarHBondContact O-N 2.72Å; L653-R656 VanDerWaalsContact O-N 3.12Å; L653-S657 PolarHBondContact O-N 3.33Å; L653-S657 PolarHBondContact O-OG 2.89Å
654	A	86.4	Confident	86.7	Confident	81 Å²	81	55.7 Å²	55.7	67%	0.669	30%	0.304	S	S	*	.	H	α-helix	trans	-59.3	-39.5	177.9	0	0	0	0	0	112.7	P652 S657 A658	P652-A654 PolarHBondContact O-N 3.12Å; A654-S657 PolarHBondContact O-N 2.76Å; A654-A658 WeakPolarHBondContact O-CB 3.45Å; A654-A658 PolarHBondContact O-N 2.84Å
655	W	90.4	Very high	86.6	Confident	36 Å²	36	62 Å²	62	14%	0.136	33%	0.331	C	S	.	.	H	α-helix	trans	-67.9	-40	175.7	-175.1	104.7	0	0	0	111.2	L597 P599 L602 L647 F648 R651 P652 L653 S657 A658 V659	L597-W655 HydrophobicContact CD2-CH2 4.46Å; L597-W655 HydrophobicContact CD2-CZ2 4.19Å; L597-W655 HydrophobicContact CG-CZ2 4.2Å; L597-W655 PolarHBondContact O-NE1 2.9Å; L597-W655 VanDerWaalsContact O-NE1 3.1Å; P599-W655 HydrophobicContact CG-CG 4.2Å; L602-W655 HydrophobicContact CD2-CH2 3.53Å; L602-W655 HydrophobicContact CD2-CZ2 4.09Å; L602-W655 HydrophobicContact CD2-CZ3 4.49Å; L647-W655 HydrophobicContact CD2-CH2 3.78Å; L647-W655 HydrophobicContact CD2-CZ3 4.41Å; L647-W655 HydrophobicContact CG-CH2 4.08Å; L647-W655 HydrophobicContact CG-CZ3 4.32Å; F648-W655 HydrophobicContact CD1-CZ3 4.05Å; F648-W655 HydrophobicContact CE1-CZ3 4.16Å; R651-W655 HydrophobicContact CB-CD2 4.08Å; R651-W655 HydrophobicContact CB-CE3 3.47Å; R651-W655 VanDerWaalsContact CB-CE3 3.47Å; R651-W655 HydrophobicContact CB-CZ3 3.84Å; R651-W655 HydrophobicContact CG-CD2 4.25Å; R651-W655 HydrophobicContact CG-CE3 3.75Å; R651-W655 HydrophobicContact CG-CH2 4.13Å; R651-W655 HydrophobicContact CG-CZ3 3.7Å; P652-W655 WeakPolarHBondContact O-CB 3.38Å; P652-W655 PolarHBondContact O-N 2.82Å; L653-W655 VanDerWaalsContact C-N 3.3Å; L653-W655 PolarHBondContact O-N 3.36Å; W655-S657 PolarHBondContact O-N 2.88Å; W655-A658 PolarHBondContact O-N 3.42Å; W655-V659 HydrophobicContact CD2-CG2 4.19Å; W655-V659 HydrophobicContact CE3-CG2 3.99Å; W655-V659 HydrophobicContact CH2-CG2 3.84Å; W655-V659 HydrophobicContact CZ2-CG2 4.04Å; W655-V659 HydrophobicContact CZ3-CG2 3.81Å; W655-V659 WeakPolarHBondContact O-CG2 3.24Å; W655-V659 PolarHBondContact O-N 2.91Å; W655-V659 VanDerWaalsContact O-N 3.08Å
656	R	89.4	Confident	86.6	Confident	68 Å²	68	59.2 Å²	59.2	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-57.2	-50.8	172.9	-55.2	174.7	-158.2	-149.2	-9.6	110.3	F648 N649 R651 P652 L653 A658 V659 K660	F648-R656 HydrophobicContact CB-CG 4.15Å; F648-R656 HydrophobicContact CD1-CB 4.33Å; F648-R656 HydrophobicContact CD1-CG 4.3Å; F648-R656 HydrophobicContact CG-CB 4.39Å; F648-R656 HydrophobicContact CG-CG 4.28Å; F648-R656 WeakPolarHBondContact O-CD 3.4Å; F648-R656 PolarHBondContact O-NE 3.19Å; F648-R656 PolarHBondContact O-NH1 2.94Å; F648-R656 PolarHBondContact O-NH2 3.31Å; N649-R656 PolarHBondContact O-NH2 3.14Å; R651-R656 VanDerWaalsContact O-CZ 3.25Å; R651-R656 PolarHBondContact O-NE 3.08Å; R651-R656 PolarHBondContact O-NH2 2.99Å; P652-R656 PolarHBondContact O-N 2.78Å; L653-R656 WeakPolarHBondContact O-CB 3.38Å; L653-R656 PolarHBondContact O-N 2.72Å; L653-R656 VanDerWaalsContact O-N 3.12Å; R656-A658 PolarHBondContact O-N 3.04Å; R656-V659 PolarHBondContact O-N 3.22Å; R656-K660 WeakPolarHBondContact O-CG 3.39Å; R656-K660 PolarHBondContact O-N 3.42Å
657	S	86.6	Confident	86.7	Confident	50 Å²	50	55.9 Å²	55.9	35%	0.35	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-38.9	-179	-61.2	0	0	0	0	112.6	L653 A654 W655 K660 N661	L653-S657 PolarHBondContact O-N 3.33Å; L653-S657 PolarHBondContact O-OG 2.89Å; A654-S657 PolarHBondContact O-N 2.76Å; W655-S657 PolarHBondContact O-N 2.88Å; S657-K660 PolarHBondContact O-N 3.42Å; S657-N661 WeakPolarHBondContact O-CB 3.21Å; S657-N661 VanDerWaalsContact O-CG 3.28Å; S657-N661 PolarHBondContact O-N 3.08Å; S657-N661 PolarHBondContact O-OD1 3.23Å
658	A	88.7	Confident	86.3	Confident	35 Å²	35	57.1 Å²	57.1	29%	0.289	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-48.3	174	0	0	0	0	0	111.9	P599 A654 W655 R656 K660 N661 L662	P599-A658 HydrophobicContact CB-CB 3.94Å; P599-A658 HydrophobicContact CG-CB 3.85Å; A654-A658 WeakPolarHBondContact O-CB 3.45Å; A654-A658 PolarHBondContact O-N 2.84Å; W655-A658 PolarHBondContact O-N 3.42Å; R656-A658 PolarHBondContact O-N 3.04Å; A658-K660 PolarHBondContact O-N 2.94Å; A658-N661 PolarHBondContact O-N 3.48Å; A658-L662 WeakPolarHBondContact O-CB 3.44Å; A658-L662 VanDerWaalsContact O-CG 3.26Å; A658-L662 WeakPolarHBondContact O-CG 3.33Å; A658-L662 PolarHBondContact O-N 2.94Å
659	V	89.6	Confident	85.8	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-44.5	176	176.6	0	0	0	0	111.3	P599 L602 L644 F648 W655 R656 N661 L662 L663	P599-V659 HydrophobicContact CB-CG2 3.73Å; P599-V659 HydrophobicContact CG-CG2 4.33Å; L602-V659 HydrophobicContact CD2-CG1 4.26Å; L602-V659 HydrophobicContact CD2-CG2 4.29Å; L644-V659 HydrophobicContact CD2-CG1 4.39Å; F648-V659 HydrophobicContact CE1-CB 3.85Å; F648-V659 HydrophobicContact CE1-CG1 3.76Å; F648-V659 HydrophobicContact CE1-CG2 4.48Å; F648-V659 HydrophobicContact CZ-CB 4.11Å; F648-V659 HydrophobicContact CZ-CG1 3.86Å; W655-V659 HydrophobicContact CD2-CG2 4.19Å; W655-V659 HydrophobicContact CE3-CG2 3.99Å; W655-V659 HydrophobicContact CH2-CG2 3.84Å; W655-V659 HydrophobicContact CZ2-CG2 4.04Å; W655-V659 HydrophobicContact CZ3-CG2 3.81Å; W655-V659 WeakPolarHBondContact O-CG2 3.24Å; W655-V659 PolarHBondContact O-N 2.91Å; W655-V659 VanDerWaalsContact O-N 3.08Å; R656-V659 PolarHBondContact O-N 3.22Å; V659-N661 PolarHBondContact O-N 3.25Å; V659-L662 PolarHBondContact O-N 2.92Å; V659-L663 VanDerWaalsContact O-CB 3.24Å; V659-L663 WeakPolarHBondContact O-CB 3.32Å; V659-L663 PolarHBondContact O-N 2.74Å
660	K	90.5	Very high	85.4	Confident	59 Å²	59	59.3 Å²	59.3	26%	0.257	31%	0.314	S	S	.	.	H	α-helix	trans	-57.6	-49.4	178.2	-70.5	-176.8	178.7	-163.5	0	112	F648 R656 S657 A658 V664 F693 I697	F648-K660 HydrophobicContact CE2-CD 4.2Å; F648-K660 VanDerWaalsContact CE2-CE 3.46Å; F648-K660 HydrophobicContact CE2-CG 3.66Å; F648-K660 HydrophobicContact CZ-CG 3.77Å; R656-K660 WeakPolarHBondContact O-CG 3.39Å; R656-K660 PolarHBondContact O-N 3.42Å; S657-K660 PolarHBondContact O-N 3.42Å; A658-K660 PolarHBondContact O-N 2.94Å; K660-V664 WeakPolarHBondContact O-CB 3.36Å; K660-V664 WeakPolarHBondContact O-CG2 3.23Å; K660-V664 PolarHBondContact O-N 2.87Å; K660-F693 HydrophobicContact CB-CZ 4.39Å; K660-F693 HydrophobicContact CG-CZ 4.05Å; K660-I697 HydrophobicContact CD-CB 4.14Å; K660-I697 HydrophobicContact CD-CG2 3.64Å; K660-I697 HydrophobicContact CG-CG2 3.78Å
661	N	86.5	Confident	84.7	Confident	118 Å²	118	55.2 Å²	55.2	63%	0.631	29%	0.292	S	S	*	.	H	α-helix	trans	-69.8	-40.6	-177.3	-67.7	-1.1	0	0	0	111.8	S657 A658 V659 K665	S657-N661 WeakPolarHBondContact O-CB 3.21Å; S657-N661 VanDerWaalsContact O-CG 3.28Å; S657-N661 PolarHBondContact O-N 3.08Å; S657-N661 PolarHBondContact O-OD1 3.23Å; A658-N661 PolarHBondContact O-N 3.48Å; V659-N661 PolarHBondContact O-N 3.25Å; N661-K665 WeakPolarHBondContact O-CB 3.21Å; N661-K665 PolarHBondContact O-N 2.87Å
662	L	88.8	Confident	83.9	Confident	49 Å²	49	57.3 Å²	57.3	26%	0.257	30%	0.3	S	S	.	.	H	α-helix	trans	-64.5	-45	176.3	-73.8	171	0	0	0	112	P599 T603 A658 V659 K665 Q666	P599-L662 HydrophobicContact CB-CD1 3.75Å; T603-L662 HydrophobicContact CG2-CB 4.11Å; A658-L662 WeakPolarHBondContact O-CB 3.44Å; A658-L662 VanDerWaalsContact O-CG 3.26Å; A658-L662 WeakPolarHBondContact O-CG 3.33Å; A658-L662 PolarHBondContact O-N 2.94Å; V659-L662 PolarHBondContact O-N 2.92Å; L662-K665 PolarHBondContact O-N 3.38Å; L662-Q666 VanDerWaalsContact O-CB 3.32Å; L662-Q666 WeakPolarHBondContact O-CB 3.08Å; L662-Q666 WeakPolarHBondContact O-CG 3.35Å; L662-Q666 PolarHBondContact O-N 2.92Å
663	L	89	Confident	82.7	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-69.6	-44.2	-177.2	-167.8	56.8	0	0	0	111.7	T603 I606 I607 L644 V659 K665 L667 F689 F693	T603-L663 HydrophobicContact CG2-CB 3.92Å; T603-L663 HydrophobicContact CG2-CD1 3.71Å; T603-L663 HydrophobicContact CG2-CG 4.4Å; I606-L663 HydrophobicContact CB-CD1 4.45Å; I606-L663 HydrophobicContact CD1-CD2 4.31Å; I606-L663 HydrophobicContact CG2-CD1 4.03Å; I607-L663 HydrophobicContact CD1-CD1 4.4Å; I607-L663 HydrophobicContact CG1-CD1 4.15Å; L644-L663 HydrophobicContact CD1-CD2 4.16Å; V659-L663 VanDerWaalsContact O-CB 3.24Å; V659-L663 WeakPolarHBondContact O-CB 3.32Å; V659-L663 PolarHBondContact O-N 2.74Å; L663-K665 PolarHBondContact O-N 2.92Å; L663-L667 HydrophobicContact CD1-CD1 4.04Å; L663-L667 HydrophobicContact CD1-CG 4.08Å; L663-L667 HydrophobicContact CG-CD1 3.95Å; L663-L667 HydrophobicContact CG-CG 4.44Å; L663-L667 VanDerWaalsContact O-CB 3.31Å; L663-L667 WeakPolarHBondContact O-CB 3.47Å; L663-L667 WeakPolarHBondContact O-CD1 3.26Å; L663-L667 WeakPolarHBondContact O-CG 3.36Å; L663-L667 PolarHBondContact O-N 2.67Å; L663-F689 HydrophobicContact CD1-CE1 4.21Å; L663-F689 HydrophobicContact CD2-CE1 3.83Å; L663-F689 HydrophobicContact CD2-CZ 4.05Å; L663-F689 HydrophobicContact CG-CE1 4.16Å; L663-F693 HydrophobicContact CB-CE1 4.13Å; L663-F693 HydrophobicContact CB-CZ 4.31Å; L663-F693 HydrophobicContact CD2-CD1 4.27Å; L663-F693 HydrophobicContact CD2-CD2 3.93Å; L663-F693 HydrophobicContact CD2-CE1 4.05Å; L663-F693 HydrophobicContact CD2-CE2 3.7Å; L663-F693 HydrophobicContact CD2-CG 4.21Å; L663-F693 HydrophobicContact CD2-CZ 3.76Å; L663-F693 HydrophobicContact CG-CD1 4.47Å; L663-F693 HydrophobicContact CG-CE1 4.31Å; L663-F693 HydrophobicContact CG-CZ 4.46Å
664	V	85.7	Confident	81.5	Confident	33 Å²	33	55.7 Å²	55.7	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-57.7	-47.2	171.7	167	0	0	0	0	111.3	K660 L668 F693 I697 A702	K660-V664 WeakPolarHBondContact O-CB 3.36Å; K660-V664 WeakPolarHBondContact O-CG2 3.23Å; K660-V664 PolarHBondContact O-N 2.87Å; V664-L668 WeakPolarHBondContact O-CB 3.39Å; V664-L668 PolarHBondContact O-N 3.47Å; V664-L668 VanDerWaalsContact O-N 3.16Å; V664-F693 HydrophobicContact CG2-CD1 4.13Å; V664-F693 HydrophobicContact CG2-CE1 4.03Å; V664-I697 HydrophobicContact CG2-CD1 3.83Å; V664-A702 HydrophobicContact CG1-CB 4.47Å
665	K	84.7	Confident	80.3	Confident	136 Å²	136	54 Å²	54	59%	0.591	26%	0.26	S	S	*	.	H	α-helix	trans	-66	-49.7	-179.5	-175.1	176.3	179.8	179.2	0	111.9	N661 L662 L663 L668 L669	N661-K665 WeakPolarHBondContact O-CB 3.21Å; N661-K665 PolarHBondContact O-N 2.87Å; L662-K665 PolarHBondContact O-N 3.38Å; L663-K665 PolarHBondContact O-N 2.92Å; K665-L668 PolarHBondContact O-N 3.21Å; K665-L669 HydrophobicContact CG-CD1 3.85Å; K665-L669 HydrophobicContact CG-CG 4.3Å; K665-L669 WeakPolarHBondContact O-CB 3.34Å; K665-L669 WeakPolarHBondContact O-CG 3.22Å; K665-L669 PolarHBondContact O-N 3.48Å
666	Q	84.8	Confident	78.7	Confident	49 Å²	49	58.8 Å²	58.8	23%	0.229	29%	0.288	C	S	.	.	H	α-helix	trans	-69.8	-37.3	-175.9	-74.2	-166	-37.7	0	0	113	T603 I607 L662 L669 R670	T603-Q666 HydrophobicContact CG2-CB 4.47Å; I607-Q666 HydrophobicContact CD1-CB 3.44Å; I607-Q666 VanDerWaalsContact CD1-CB 3.44Å; I607-Q666 HydrophobicContact CD1-CG 4.46Å; L662-Q666 VanDerWaalsContact O-CB 3.32Å; L662-Q666 WeakPolarHBondContact O-CB 3.08Å; L662-Q666 WeakPolarHBondContact O-CG 3.35Å; L662-Q666 PolarHBondContact O-N 2.92Å; Q666-L669 PolarHBondContact O-N 3.44Å; Q666-R670 WeakPolarHBondContact O-CB 3.47Å; Q666-R670 VanDerWaalsContact O-CG 3.23Å; Q666-R670 WeakPolarHBondContact O-CG 3.3Å; Q666-R670 PolarHBondContact O-N 3.03Å
667	L	83.3	Confident	77.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-45.3	172.9	-67.2	168.3	0	0	0	111	I607 L610 L663 L669 R670 L671 L686 F689 Y690	I607-L667 HydrophobicContact CD1-CD2 4.48Å; I607-L667 HydrophobicContact CG1-CD2 4.04Å; L610-L667 HydrophobicContact CD1-CD2 4.24Å; L663-L667 HydrophobicContact CD1-CD1 4.04Å; L663-L667 HydrophobicContact CD1-CG 4.08Å; L663-L667 HydrophobicContact CG-CD1 3.95Å; L663-L667 HydrophobicContact CG-CG 4.44Å; L663-L667 VanDerWaalsContact O-CB 3.31Å; L663-L667 WeakPolarHBondContact O-CB 3.47Å; L663-L667 WeakPolarHBondContact O-CD1 3.26Å; L663-L667 WeakPolarHBondContact O-CG 3.36Å; L663-L667 PolarHBondContact O-N 2.67Å; L667-L669 PolarHBondContact O-N 3.01Å; L667-R670 PolarHBondContact O-N 2.85Å; L667-L671 WeakPolarHBondContact O-CB 3.33Å; L667-L671 WeakPolarHBondContact O-CG 3.4Å; L667-L671 PolarHBondContact O-N 2.78Å; L667-L686 HydrophobicContact CD2-CD2 3.63Å; L667-F689 HydrophobicContact CD1-CD1 3.74Å; L667-F689 HydrophobicContact CD1-CE1 3.92Å; L667-F689 HydrophobicContact CD2-CD1 4.29Å; L667-Y690 HydrophobicContact CB-CD2 3.64Å; L667-Y690 HydrophobicContact CB-CE2 4.16Å; L667-Y690 HydrophobicContact CD1-CD2 4.01Å; L667-Y690 HydrophobicContact CG-CD2 4.5Å
668	L	76.4	Confident	76.7	Confident	25 Å²	25	58 Å²	58	13%	0.131	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-39	178.4	-167.4	65.7	0	0	0	112	V664 K665 L671 R672 Y690 H705	V664-L668 WeakPolarHBondContact O-CB 3.39Å; V664-L668 PolarHBondContact O-N 3.47Å; V664-L668 VanDerWaalsContact O-N 3.16Å; K665-L668 PolarHBondContact O-N 3.21Å; L668-L671 PolarHBondContact O-N 3.46Å; L668-R672 HydrophobicContact CD1-CG 4.35Å; L668-R672 HydrophobicContact CG-CG 4.39Å; L668-R672 VanDerWaalsContact O-CB 3.32Å; L668-R672 WeakPolarHBondContact O-CB 3.38Å; L668-R672 WeakPolarHBondContact O-CG 3.33Å; L668-R672 PolarHBondContact O-N 2.91Å; L668-Y690 HydrophobicContact CB-CE2 4.11Å; L668-Y690 HydrophobicContact CD1-CE2 4.47Å; L668-H705 HydrophobicContact CD2-CB 4Å
669	L	78.4	Confident	75.5	Confident	72 Å²	72	60.1 Å²	60.1	38%	0.377	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-41.7	174.5	-73.4	171.6	0	0	0	112	K665 Q666 L667 R672 H673	K665-L669 HydrophobicContact CG-CD1 3.85Å; K665-L669 HydrophobicContact CG-CG 4.3Å; K665-L669 WeakPolarHBondContact O-CB 3.34Å; K665-L669 WeakPolarHBondContact O-CG 3.22Å; K665-L669 PolarHBondContact O-N 3.48Å; Q666-L669 PolarHBondContact O-N 3.44Å; L667-L669 PolarHBondContact O-N 3.01Å; L669-R672 PolarHBondContact O-N 3.12Å; L669-H673 VanDerWaalsContact CD2-CD2 3.47Å; L669-H673 WeakPolarHBondContact CD2-CD2 3.47Å; L669-H673 WeakPolarHBondContact O-CB 3.31Å; L669-H673 PolarHBondContact O-N 3.09Å
670	R	76.2	Confident	74.1	Confident	94 Å²	94	62.2 Å²	62.2	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-46.3	175.7	-74.6	-81.2	170.3	-176.8	-0.2	111.2	Q666 L667 I674 L686	Q666-R670 WeakPolarHBondContact O-CB 3.47Å; Q666-R670 VanDerWaalsContact O-CG 3.23Å; Q666-R670 WeakPolarHBondContact O-CG 3.3Å; Q666-R670 PolarHBondContact O-N 3.03Å; L667-R670 PolarHBondContact O-N 2.85Å; R670-I674 CarbonylContact O-C 3.54Å; R670-I674 PolarHBondContact O-N 3.17Å; R670-L686 HydrophobicContact CB-CD1 4.49Å
671	L	68.8	Low	72.7	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-68.7	-30.3	179	-70.9	166.1	0	0	0	113.7	L667 L668 L686 C687 L706	L667-L671 WeakPolarHBondContact O-CB 3.33Å; L667-L671 WeakPolarHBondContact O-CG 3.4Å; L667-L671 PolarHBondContact O-N 2.78Å; L668-L671 PolarHBondContact O-N 3.46Å; L671-L686 HydrophobicContact CD2-CB 3.98Å; L671-L686 HydrophobicContact CD2-CD1 4.34Å; L671-L686 HydrophobicContact CG-CB 4.34Å; L671-C687 VanDerWaalsContact CD1-SG 3.54Å; L671-L706 HydrophobicContact CD1-CD1 3.63Å
672	R	65.9	Low	71.9	Confident	74 Å²	74	57.6 Å²	57.6	28%	0.279	30%	0.297	S	S	.	.	H	α-helix	trans	-93.8	-28.7	-178.2	-71.3	-174.6	-179.1	-166	-0.3	115.4	L668 L669 H705 M712	L668-R672 HydrophobicContact CD1-CG 4.35Å; L668-R672 HydrophobicContact CG-CG 4.39Å; L668-R672 VanDerWaalsContact O-CB 3.32Å; L668-R672 WeakPolarHBondContact O-CB 3.38Å; L668-R672 WeakPolarHBondContact O-CG 3.33Å; L668-R672 PolarHBondContact O-N 2.91Å; L669-R672 PolarHBondContact O-N 3.12Å; R672-H705 PolarHBondContact NH2-O 3.42Å; R672-M712 VanDerWaalsContact CZ-CE 3.5Å
673	H	62.4	Low	70.9	Confident	130 Å²	130	55.8 Å²	55.8	60%	0.602	29%	0.287	S	S	*	.	H	α-helix	trans	-122.3	-8.5	-170.8	-58.2	-70.1	0	0	0	115	L669	L669-H673 VanDerWaalsContact CD2-CD2 3.47Å; L669-H673 WeakPolarHBondContact CD2-CD2 3.47Å; L669-H673 WeakPolarHBondContact O-CB 3.31Å; L669-H673 PolarHBondContact O-N 3.09Å
674	I	60	Low	69.6	Low	54 Å²	54	56.5 Å²	56.5	28%	0.277	29%	0.29	S	S	.	.	S	Bend	trans	-128.5	22.1	-174.3	-55.8	174.2	0	0	0	109.2	R670 D676 S677 L678	R670-I674 CarbonylContact O-C 3.54Å; R670-I674 PolarHBondContact O-N 3.17Å; I674-D676 VanDerWaalsContact C-N 3.31Å; I674-D676 PolarHBondContact O-N 3.12Å; I674-S677 WeakPolarHBondContact CG2-OG 3.33Å; I674-S677 PolarHBondContact O-N 3.27Å; I674-L678 WeakPolarHBondContact O-CG 3.4Å
675	H	59.8	Low	68.9	Low	46 Å²	46	54.9 Å²	54.9	21%	0.213	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-62.8	-36.4	-175	78.5	-40.8	0	0	0	113	S677 L678 M683 L713	H675-S677 PolarHBondContact O-N 2.82Å; H675-S677 VanDerWaalsContact O-N 3.13Å; H675-L678 PolarHBondContact O-N 3.44Å; H675-M683 HydrophobicContact CB-SD 4.2Å; H675-L713 HydrophobicContact CB-CD2 4.38Å
676	D	58	Low	68.5	Low	136 Å²	136	48.4 Å²	48.4	73%	0.727	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-66.4	-16.1	-179.1	-38.7	-96.4	0	0	0	113	I674	I674-D676 VanDerWaalsContact C-N 3.31Å; I674-D676 PolarHBondContact O-N 3.12Å
677	S	66	Low	67.8	Low	85 Å²	85	46.2 Å²	46.2	59%	0.594	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-108.4	14.8	176.7	103.2	0	0	0	0	113.2	I674 H675	I674-S677 WeakPolarHBondContact CG2-OG 3.33Å; I674-S677 PolarHBondContact O-N 3.27Å; H675-S677 PolarHBondContact O-N 2.82Å; H675-S677 VanDerWaalsContact O-N 3.13Å
678	L	67.2	Low	67.1	Low	17 Å²	17	46.5 Å²	46.5	9%	0.089	24%	0.244	C	C	.	.	S	Bend	trans	-117.5	129.7	179	-64.9	172.1	0	0	0	110	L611 I674 H675 Q682 M683 L686	L611-L678 HydrophobicContact CD2-CD2 3.31Å; I674-L678 WeakPolarHBondContact O-CG 3.4Å; H675-L678 PolarHBondContact O-N 3.44Å; L678-Q682 HydrophobicContact CD2-CB 4.27Å; L678-M683 HydrophobicContact CB-CG 3.51Å; L678-M683 HydrophobicContact CB-SD 4.26Å; L678-M683 HydrophobicContact CD1-CG 4.02Å; L678-M683 HydrophobicContact CG-CG 4.41Å; L678-L686 HydrophobicContact CD1-CD1 3.84Å; L678-L686 HydrophobicContact CD2-CD1 4.25Å
679	T	64.3	Low	67.2	Low	80 Å²	80	45.3 Å²	45.3	49%	0.491	24%	0.238	S	C	.	.			trans	-66.4	151.2	167.2	60.8	0	0	0	0	110.2	T681 Q682 M683	T679-T681 PolarHBondContact O-N 3.04Å; T679-T681 VanDerWaalsContact O-N 3.11Å; T679-Q682 WeakPolarHBondContact O-CA 3.45Å; T679-Q682 WeakPolarHBondContact O-CB 3.4Å; T679-Q682 PolarHBondContact O-N 3.38Å; T679-Q682 VanDerWaalsContact OG1-CD 3.28Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.41Å; T679-Q682 PolarHBondContact OG1-N 2.95Å; T679-Q682 PolarHBondContact OG1-OE1 3.18Å; T679-M683 PolarHBondContact O-N 3.09Å
680	A	59.1	Low	67.2	Low	44 Å²	44	42 Å²	42	36%	0.364	22%	0.22	S	C	.	.	H	α-helix	trans	-49.8	-39.6	175.3	0	0	0	0	0	112.8	Q682 M683 E684	A680-Q682 PolarHBondContact O-N 2.89Å; A680-M683 PolarHBondContact O-N 2.9Å; A680-E684 PolarHBondContact O-N 2.93Å
681	T	61.6	Low	67	Low	38 Å²	38	37.6 Å²	37.6	23%	0.233	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-36.3	176.2	-43.5	0	0	0	0	113	G614 T679 T685	G614-T681 WeakPolarHBondContact O-CG2 3.26Å; T679-T681 PolarHBondContact O-N 3.04Å; T679-T681 VanDerWaalsContact O-N 3.11Å; T681-T685 VanDerWaalsContact O-CB 3.25Å; T681-T685 WeakPolarHBondContact O-CB 3.17Å; T681-T685 PolarHBondContact O-N 3.13Å; T681-T685 PolarHBondContact O-OG1 3.32Å
682	Q	70.2	Confident	67.3	Low	42 Å²	42	38.5 Å²	38.5	20%	0.196	21%	0.208	C	C	.	.	H	α-helix	trans	-72.2	-40.7	174.1	-72.7	162.5	-40.9	0	0	111.3	L611 L678 T679 A680 T685 L686	L611-Q682 HydrophobicContact CD2-CB 4.35Å; L611-Q682 PolarHBondContact O-NE2 3.08Å; L678-Q682 HydrophobicContact CD2-CB 4.27Å; T679-Q682 WeakPolarHBondContact O-CA 3.45Å; T679-Q682 WeakPolarHBondContact O-CB 3.4Å; T679-Q682 PolarHBondContact O-N 3.38Å; T679-Q682 VanDerWaalsContact OG1-CD 3.28Å; T679-Q682 WeakPolarHBondContact OG1-CG 3.41Å; T679-Q682 PolarHBondContact OG1-N 2.95Å; T679-Q682 PolarHBondContact OG1-OE1 3.18Å; A680-Q682 PolarHBondContact O-N 2.89Å; Q682-T685 WeakPolarHBondContact O-CB 3.46Å; Q682-T685 PolarHBondContact O-N 2.84Å; Q682-L686 WeakPolarHBondContact O-CB 3.38Å; Q682-L686 VanDerWaalsContact O-CG 3.26Å; Q682-L686 WeakPolarHBondContact O-CG 3.38Å; Q682-L686 PolarHBondContact O-N 2.98Å
683	M	66.3	Low	68.1	Low	11 Å²	11	35 Å²	35	5%	0.054	20%	0.195	C	C	.	.	H	α-helix	trans	-61.6	-46.3	175.5	-66.3	-163.1	-88.2	0	0	111.7	H675 L678 T679 A680 T685 L686 C687 E717 L721	H675-M683 HydrophobicContact CB-SD 4.2Å; L678-M683 HydrophobicContact CB-CG 3.51Å; L678-M683 HydrophobicContact CB-SD 4.26Å; L678-M683 HydrophobicContact CD1-CG 4.02Å; L678-M683 HydrophobicContact CG-CG 4.41Å; T679-M683 PolarHBondContact O-N 3.09Å; A680-M683 PolarHBondContact O-N 2.9Å; M683-T685 PolarHBondContact O-N 2.75Å; M683-L686 PolarHBondContact O-N 3.23Å; M683-C687 PolarHBondContact O-N 3.48Å; M683-E717 VanDerWaalsContact CE-OE2 3.24Å; M683-E717 WeakPolarHBondContact CE-OE2 3.47Å; M683-L721 HydrophobicContact CB-CD1 3.82Å; M683-L721 WeakPolarHBondContact O-CD1 3.46Å
684	E	63.3	Low	68.8	Low	14 Å²	14	28.9 Å²	28.9	7%	0.065	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-39.6	176	-160.5	-175.9	162.4	0	0	111.7	T617 A680 C687 R688 S724	T617-E684 WeakPolarHBondContact CB-OE2 3.32Å; T617-E684 HydrophobicContact CG2-CB 4.05Å; T617-E684 HydrophobicContact CG2-CG 3.83Å; T617-E684 WeakPolarHBondContact CG2-OE1 3.33Å; T617-E684 WeakPolarHBondContact CG2-OE2 2.98Å; T617-E684 PolarHBondContact OG1-OE2 2.83Å; A680-E684 PolarHBondContact O-N 2.93Å; E684-C687 PolarHBondContact O-N 2.6Å; E684-R688 HydrophobicContact CG-CG 4.42Å; E684-R688 WeakPolarHBondContact O-CB 3.41Å; E684-R688 WeakPolarHBondContact O-CG 3.5Å; E684-R688 PolarHBondContact O-N 2.84Å; E684-S724 WeakPolarHBondContact CG-OG 3.23Å; E684-S724 WeakPolarHBondContact OE1-CB 3.39Å; E684-S724 PolarHBondContact OE1-OG 3.24Å
685	T	70.2	Confident	69.4	Low	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.7	-49.1	173	-67	0	0	0	0	111.9	L610 F615 T681 Q682 M683 C687 F689	L610-T685 HydrophobicContact CB-CG2 4.08Å; L610-T685 HydrophobicContact CD2-CG2 3.77Å; F615-T685 HydrophobicContact CD2-CG2 3.73Å; F615-T685 HydrophobicContact CE2-CG2 4.47Å; F615-T685 PolarHBondContact N-OG1 3.42Å; T681-T685 VanDerWaalsContact O-CB 3.25Å; T681-T685 WeakPolarHBondContact O-CB 3.17Å; T681-T685 PolarHBondContact O-N 3.13Å; T681-T685 PolarHBondContact O-OG1 3.32Å; Q682-T685 WeakPolarHBondContact O-CB 3.46Å; Q682-T685 PolarHBondContact O-N 2.84Å; M683-T685 PolarHBondContact O-N 2.75Å; T685-C687 PolarHBondContact O-N 3.48Å; T685-F689 WeakPolarHBondContact O-CB 3.19Å; T685-F689 PolarHBondContact O-N 2.92Å
686	L	75.8	Confident	70.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.1	-41.2	179	-71.2	170.4	0	0	0	111.6	L610 L611 L667 R670 L671 L678 Q682 M683 Y690	L610-L686 HydrophobicContact CB-CD2 4.04Å; L610-L686 HydrophobicContact CD1-CD2 4.23Å; L611-L686 HydrophobicContact CD2-CD1 4Å; L667-L686 HydrophobicContact CD2-CD2 3.63Å; R670-L686 HydrophobicContact CB-CD1 4.49Å; L671-L686 HydrophobicContact CD2-CB 3.98Å; L671-L686 HydrophobicContact CD2-CD1 4.34Å; L671-L686 HydrophobicContact CG-CB 4.34Å; L678-L686 HydrophobicContact CD1-CD1 3.84Å; L678-L686 HydrophobicContact CD2-CD1 4.25Å; Q682-L686 WeakPolarHBondContact O-CB 3.38Å; Q682-L686 VanDerWaalsContact O-CG 3.26Å; Q682-L686 WeakPolarHBondContact O-CG 3.38Å; Q682-L686 PolarHBondContact O-N 2.98Å; M683-L686 PolarHBondContact O-N 3.23Å; L686-Y690 WeakPolarHBondContact O-CB 3.36Å; L686-Y690 PolarHBondContact O-N 3.49Å
687	C	70.7	Confident	71.6	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-69.7	-44.4	178.1	-83.7	0	0	0	0	113.5	L671 M683 E684 T685 F689 Y690 V691 L721 V725	L671-C687 VanDerWaalsContact CD1-SG 3.54Å; M683-C687 PolarHBondContact O-N 3.48Å; E684-C687 PolarHBondContact O-N 2.6Å; T685-C687 PolarHBondContact O-N 3.48Å; C687-F689 VanDerWaalsContact C-N 3.31Å; C687-F689 PolarHBondContact O-N 3.08Å; C687-Y690 WeakPolarHBondContact O-CB 3.17Å; C687-Y690 PolarHBondContact O-N 3.06Å; C687-V691 WeakPolarHBondContact O-CG2 3.43Å; C687-V691 PolarHBondContact O-N 3.33Å; C687-L721 HydrophobicContact CB-CD1 3.9Å; C687-L721 HydrophobicContact CB-CG 4.34Å; C687-L721 WeakPolarHBondContact SG-CD1 3.28Å; C687-L721 VanDerWaalsContact SG-CG 3.53Å; C687-V725 HydrophobicContact CB-CG2 4.21Å
688	R	69.5	Low	72.2	Confident	7 Å²	7	30 Å²	30	3%	0.026	16%	0.155	C	C	.	.	H	α-helix	trans	-59.6	-43.5	173.6	-69.1	-176.2	-45.2	-165.1	-5.3	111.2	F615 T617 E637 E684 V691 L692	F615-R688 PolarHBondContact O-NH2 3.33Å; T617-R688 VanDerWaalsContact CG2-CZ 3.45Å; E637-R688 IonicContact OE1-CZ 2.72Å; E637-R688 VanDerWaalsContact OE1-CZ 3.28Å; E637-R688 IonicContact OE1-NE 2.61Å; E637-R688 PolarHBondContact OE1-NE 2.86Å; E637-R688 IonicContact OE1-NH2 3.8Å; E637-R688 PolarHBondContact OE1-NH2 3.26Å; E684-R688 HydrophobicContact CG-CG 4.42Å; E684-R688 WeakPolarHBondContact O-CB 3.41Å; E684-R688 WeakPolarHBondContact O-CG 3.5Å; E684-R688 PolarHBondContact O-N 2.84Å; R688-V691 PolarHBondContact O-N 3.46Å; R688-L692 VanDerWaalsContact O-CG 3.3Å; R688-L692 WeakPolarHBondContact O-CG 3.38Å; R688-L692 PolarHBondContact O-N 3.11Å
689	F	77.3	Confident	72.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-41.7	175.1	-178.1	-95.9	0	0	0	112.2	I606 L610 E637 I640 V641 L644 L663 L667 T685 C687 V691 L692 F693	I606-F689 HydrophobicContact CG2-CE1 3.88Å; I606-F689 HydrophobicContact CG2-CE2 4.43Å; I606-F689 HydrophobicContact CG2-CZ 3.73Å; L610-F689 HydrophobicContact CD1-CB 3.95Å; L610-F689 HydrophobicContact CD1-CD1 3.42Å; L610-F689 VanDerWaalsContact CD1-CD1 3.42Å; L610-F689 HydrophobicContact CD1-CD2 4.17Å; L610-F689 HydrophobicContact CD1-CE1 3.96Å; L610-F689 HydrophobicContact CD1-CG 3.54Å; L610-F689 HydrophobicContact CD2-CB 3.76Å; L610-F689 HydrophobicContact CD2-CD2 3.98Å; L610-F689 HydrophobicContact CD2-CG 3.82Å; L610-F689 HydrophobicContact CG-CG 4.33Å; E637-F689 HydrophobicContact CB-CB 4.47Å; E637-F689 HydrophobicContact CB-CD2 4.1Å; E637-F689 HydrophobicContact CG-CB 4Å; E637-F689 HydrophobicContact CG-CD2 4.29Å; I640-F689 HydrophobicContact CB-CE2 3.89Å; I640-F689 HydrophobicContact CG2-CE2 3.51Å; I640-F689 HydrophobicContact CG2-CZ 3.94Å; V641-F689 HydrophobicContact CG2-CD2 4.22Å; V641-F689 HydrophobicContact CG2-CE2 3.73Å; V641-F689 HydrophobicContact CG2-CZ 4.42Å; L644-F689 HydrophobicContact CD1-CZ 3.92Å; L663-F689 HydrophobicContact CD1-CE1 4.21Å; L663-F689 HydrophobicContact CD2-CE1 3.83Å; L663-F689 HydrophobicContact CD2-CZ 4.05Å; L663-F689 HydrophobicContact CG-CE1 4.16Å; L667-F689 HydrophobicContact CD1-CD1 3.74Å; L667-F689 HydrophobicContact CD1-CE1 3.92Å; L667-F689 HydrophobicContact CD2-CD1 4.29Å; T685-F689 WeakPolarHBondContact O-CB 3.19Å; T685-F689 PolarHBondContact O-N 2.92Å; C687-F689 VanDerWaalsContact C-N 3.31Å; C687-F689 PolarHBondContact O-N 3.08Å; F689-V691 VanDerWaalsContact C-N 3.34Å; F689-V691 PolarHBondContact O-N 3.47Å; F689-L692 PolarHBondContact O-N 3.04Å; F689-F693 HydrophobicContact CE1-CB 4.23Å; F689-F693 HydrophobicContact CZ-CB 4.43Å; F689-F693 HydrophobicContact CZ-CD2 4.4Å; F689-F693 VanDerWaalsContact O-CB 3.3Å; F689-F693 WeakPolarHBondContact O-CB 3.3Å; F689-F693 PolarHBondContact O-N 2.78Å
690	Y	80	Confident	72.6	Confident	3 Å²	3	30.3 Å²	30.3	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-57.3	-46.8	175.7	-167.8	-67.9	0	0	0	111.2	L667 L668 L686 C687 F693 A694 A702 L706	L667-Y690 HydrophobicContact CB-CD2 3.64Å; L667-Y690 HydrophobicContact CB-CE2 4.16Å; L667-Y690 HydrophobicContact CD1-CD2 4.01Å; L667-Y690 HydrophobicContact CG-CD2 4.5Å; L668-Y690 HydrophobicContact CB-CE2 4.11Å; L668-Y690 HydrophobicContact CD1-CE2 4.47Å; L686-Y690 WeakPolarHBondContact O-CB 3.36Å; L686-Y690 PolarHBondContact O-N 3.49Å; C687-Y690 WeakPolarHBondContact O-CB 3.17Å; C687-Y690 PolarHBondContact O-N 3.06Å; Y690-F693 PolarHBondContact O-N 3.3Å; Y690-A694 HydrophobicContact CD1-CB 4.41Å; Y690-A694 VanDerWaalsContact O-CB 3.27Å; Y690-A694 WeakPolarHBondContact O-CB 3.22Å; Y690-A694 PolarHBondContact O-N 3.5Å; Y690-A702 HydrophobicContact CE1-CB 3.84Å; Y690-A702 VanDerWaalsContact CE1-O 3.3Å; Y690-A702 WeakPolarHBondContact CE1-O 3.47Å; Y690-A702 PolarHBondContact OH-O 3.1Å; Y690-A702 VanDerWaalsContact OH-O 3.12Å; Y690-L706 HydrophobicContact CD1-CB 4.05Å; Y690-L706 HydrophobicContact CD1-CD1 4.06Å; Y690-L706 HydrophobicContact CD1-CD2 3.67Å; Y690-L706 HydrophobicContact CD1-CG 4.14Å; Y690-L706 HydrophobicContact CD2-CD1 4.01Å; Y690-L706 HydrophobicContact CE1-CB 3.79Å; Y690-L706 HydrophobicContact CE1-CD1 4.36Å; Y690-L706 HydrophobicContact CE1-CD2 4.29Å; Y690-L706 HydrophobicContact CE1-CG 4.37Å; Y690-L706 HydrophobicContact CE2-CD1 4.32Å; Y690-L706 HydrophobicContact CG-CD1 3.87Å; Y690-L706 HydrophobicContact CG-CD2 4.04Å; Y690-L706 HydrophobicContact CG-CG 4.43Å
691	V	70.4	Confident	73	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.5	-48.2	179	174.8	0	0	0	0	111.3	C687 R688 F689 F693 A694 E695 L706 V725 W729	C687-V691 WeakPolarHBondContact O-CG2 3.43Å; C687-V691 PolarHBondContact O-N 3.33Å; R688-V691 PolarHBondContact O-N 3.46Å; F689-V691 VanDerWaalsContact C-N 3.34Å; F689-V691 PolarHBondContact O-N 3.47Å; V691-F693 VanDerWaalsContact C-N 3.26Å; V691-F693 PolarHBondContact O-N 3.09Å; V691-A694 PolarHBondContact O-N 2.83Å; V691-E695 PolarHBondContact O-N 3.44Å; V691-L706 HydrophobicContact CG2-CD2 3.75Å; V691-V725 HydrophobicContact CG2-CB 4.13Å; V691-V725 HydrophobicContact CG2-CG1 3.72Å; V691-V725 HydrophobicContact CG2-CG2 3.83Å; V691-W729 HydrophobicContact CG1-CB 3.81Å; V691-W729 HydrophobicContact CG1-CD2 3.88Å; V691-W729 HydrophobicContact CG1-CE3 4.48Å; V691-W729 HydrophobicContact CG1-CG 3.5Å
692	L	74.7	Confident	73.3	Confident	25 Å²	25	29.5 Å²	29.5	13%	0.131	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-30.5	177.6	-66.8	167.9	0	0	0	112.4	E637 R638 V641 R688 F689 M696	E637-L692 HydrophobicContact CB-CD1 3.72Å; R638-L692 HydrophobicContact CG-CD1 4.12Å; V641-L692 HydrophobicContact CG2-CB 3.95Å; R688-L692 VanDerWaalsContact O-CG 3.3Å; R688-L692 WeakPolarHBondContact O-CG 3.38Å; R688-L692 PolarHBondContact O-N 3.11Å; F689-L692 PolarHBondContact O-N 3.04Å; L692-M696 PolarHBondContact O-N 3.32Å
693	F	83.1	Confident	73.1	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-74.9	-42.2	172.8	-170.2	-106.5	0	0	0	111.9	L644 F648 K660 L663 V664 F689 Y690 V691 E695 M696 I697	L644-F693 HydrophobicContact CD1-CD2 3.97Å; L644-F693 HydrophobicContact CD1-CE2 3.88Å; F648-F693 HydrophobicContact CE2-CE2 4.24Å; F648-F693 HydrophobicContact CE2-CZ 4.32Å; F648-F693 HydrophobicContact CZ-CE2 4.24Å; F648-F693 HydrophobicContact CZ-CZ 4.19Å; K660-F693 HydrophobicContact CB-CZ 4.39Å; K660-F693 HydrophobicContact CG-CZ 4.05Å; L663-F693 HydrophobicContact CB-CE1 4.13Å; L663-F693 HydrophobicContact CB-CZ 4.31Å; L663-F693 HydrophobicContact CD2-CD1 4.27Å; L663-F693 HydrophobicContact CD2-CD2 3.93Å; L663-F693 HydrophobicContact CD2-CE1 4.05Å; L663-F693 HydrophobicContact CD2-CE2 3.7Å; L663-F693 HydrophobicContact CD2-CG 4.21Å; L663-F693 HydrophobicContact CD2-CZ 3.76Å; L663-F693 HydrophobicContact CG-CD1 4.47Å; L663-F693 HydrophobicContact CG-CE1 4.31Å; L663-F693 HydrophobicContact CG-CZ 4.46Å; V664-F693 HydrophobicContact CG2-CD1 4.13Å; V664-F693 HydrophobicContact CG2-CE1 4.03Å; F689-F693 HydrophobicContact CE1-CB 4.23Å; F689-F693 HydrophobicContact CZ-CB 4.43Å; F689-F693 HydrophobicContact CZ-CD2 4.4Å; F689-F693 VanDerWaalsContact O-CB 3.3Å; F689-F693 WeakPolarHBondContact O-CB 3.3Å; F689-F693 PolarHBondContact O-N 2.78Å; Y690-F693 PolarHBondContact O-N 3.3Å; V691-F693 VanDerWaalsContact C-N 3.26Å; V691-F693 PolarHBondContact O-N 3.09Å; F693-E695 PolarHBondContact O-N 3.25Å; F693-M696 HydrophobicContact CD2-CE 3.66Å; F693-M696 HydrophobicContact CE2-CE 3.32Å; F693-M696 HydrophobicContact CZ-CE 4.18Å; F693-M696 PolarHBondContact O-N 3.47Å; F693-I697 HydrophobicContact CD1-CD1 4.27Å; F693-I697 HydrophobicContact CD1-CG2 4.31Å; F693-I697 HydrophobicContact CE1-CD1 4.14Å; F693-I697 HydrophobicContact CE1-CG2 3.88Å; F693-I697 HydrophobicContact CE2-CG2 4.24Å; F693-I697 HydrophobicContact CZ-CG2 3.84Å; F693-I697 WeakPolarHBondContact O-CG1 3.43Å; F693-I697 WeakPolarHBondContact O-CG2 3.43Å; F693-I697 PolarHBondContact O-N 2.89Å
694	A	77.4	Confident	72.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-34.8	174.5	0	0	0	0	0	111.8	Y690 V691 I697 K698 S699 A702 V703	Y690-A694 HydrophobicContact CD1-CB 4.41Å; Y690-A694 VanDerWaalsContact O-CB 3.27Å; Y690-A694 WeakPolarHBondContact O-CB 3.22Å; Y690-A694 PolarHBondContact O-N 3.5Å; V691-A694 PolarHBondContact O-N 2.83Å; A694-I697 WeakPolarHBondContact O-CG1 3.27Å; A694-K698 WeakPolarHBondContact O-CA 3.33Å; A694-K698 PolarHBondContact O-N 3.26Å; A694-S699 PolarHBondContact O-N 3.43Å; A694-A702 HydrophobicContact CB-CB 4.17Å; A694-V703 HydrophobicContact CB-CG2 3.52Å
695	E	73.2	Confident	73	Confident	95 Å²	95	30.9 Å²	30.9	44%	0.444	16%	0.161	S	C	.	.	H	α-helix	trans	-61.5	-56.7	170.2	-179.3	154.3	-155.6	0	0	112.5	V691 F693 I697 K698 W729	V691-E695 PolarHBondContact O-N 3.44Å; F693-E695 PolarHBondContact O-N 3.25Å; E695-I697 PolarHBondContact O-N 3.49Å; E695-K698 PolarHBondContact O-N 2.95Å; E695-W729 HydrophobicContact CB-CH2 4.15Å; E695-W729 HydrophobicContact CB-CZ2 3.27Å; E695-W729 HydrophobicContact CG-CZ2 3.65Å; E695-W729 PolarHBondContact OE2-NE1 3.22Å
696	M	81.5	Confident	72.8	Confident	36 Å²	36	31.1 Å²	31.1	18%	0.177	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-30.3	-179.6	-170.9	-157.4	66.8	0	0	112.6	V641 L644 E645 F648 L692 F693	V641-M696 HydrophobicContact CG1-CB 3.72Å; V641-M696 HydrophobicContact CG1-CG 3.97Å; V641-M696 HydrophobicContact CG1-SD 3.79Å; V641-M696 VanDerWaalsContact O-SD 3.34Å; L644-M696 HydrophobicContact CB-CE 4.14Å; L644-M696 HydrophobicContact CB-SD 3.97Å; E645-M696 HydrophobicContact CB-CG 4.26Å; E645-M696 HydrophobicContact CB-SD 3.8Å; F648-M696 HydrophobicContact CD2-CE 3.77Å; F648-M696 HydrophobicContact CE2-CE 3.38Å; F648-M696 HydrophobicContact CZ-CE 4.32Å; L692-M696 PolarHBondContact O-N 3.32Å; F693-M696 HydrophobicContact CD2-CE 3.66Å; F693-M696 HydrophobicContact CE2-CE 3.32Å; F693-M696 HydrophobicContact CZ-CE 4.18Å; F693-M696 PolarHBondContact O-N 3.47Å
697	I	83.1	Confident	72	Confident	31 Å²	31	31.2 Å²	31.2	16%	0.159	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.1	175	74.9	178.6	0	0	0	114.3	K660 V664 F693 A694 E695 S699	K660-I697 HydrophobicContact CD-CB 4.14Å; K660-I697 HydrophobicContact CD-CG2 3.64Å; K660-I697 HydrophobicContact CG-CG2 3.78Å; V664-I697 HydrophobicContact CG2-CD1 3.83Å; F693-I697 HydrophobicContact CD1-CD1 4.27Å; F693-I697 HydrophobicContact CD1-CG2 4.31Å; F693-I697 HydrophobicContact CE1-CD1 4.14Å; F693-I697 HydrophobicContact CE1-CG2 3.88Å; F693-I697 HydrophobicContact CE2-CG2 4.24Å; F693-I697 HydrophobicContact CZ-CG2 3.84Å; F693-I697 WeakPolarHBondContact O-CG1 3.43Å; F693-I697 WeakPolarHBondContact O-CG2 3.43Å; F693-I697 PolarHBondContact O-N 2.89Å; A694-I697 WeakPolarHBondContact O-CG1 3.27Å; E695-I697 PolarHBondContact O-N 3.49Å; I697-S699 VanDerWaalsContact C-N 3.35Å; I697-S699 PolarHBondContact O-N 3.15Å
698	K	77.9	Confident	71.4	Confident	182 Å²	182	34.7 Å²	34.7	79%	0.791	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	41.8	-176.2	-56.4	-175	-179	-177.3	0	114.2	A694 E695	A694-K698 WeakPolarHBondContact O-CA 3.33Å; A694-K698 PolarHBondContact O-N 3.26Å; E695-K698 PolarHBondContact O-N 2.95Å
699	S	73.3	Confident	70.8	Confident	36 Å²	36	34.5 Å²	34.5	25%	0.252	18%	0.179	S	C	.	.			trans	-104.2	96.5	-178.7	-173.8	0	0	0	0	112.2	A694 I697 S701 A702	A694-S699 PolarHBondContact O-N 3.43Å; I697-S699 VanDerWaalsContact C-N 3.35Å; I697-S699 PolarHBondContact O-N 3.15Å; S699-S701 VanDerWaalsContact C-N 3.26Å; S699-S701 PolarHBondContact O-N 2.98Å; S699-A702 PolarHBondContact O-N 2.73Å; S699-A702 PolarHBondContact OG-N 3.26Å; S699-A702 VanDerWaalsContact OG-N 3.13Å
700	T	66.2	Low	69.8	Low	68 Å²	68	34.7 Å²	34.7	42%	0.417	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-38.5	169.1	52.1	0	0	0	0	111.4	A702 V703 C704 I732	T700-A702 VanDerWaalsContact C-N 3.31Å; T700-A702 PolarHBondContact O-N 3.42Å; T700-V703 PolarHBondContact O-N 2.98Å; T700-V703 VanDerWaalsContact O-N 3.09Å; T700-C704 PolarHBondContact O-N 3.44Å; T700-C704 PolarHBondContact O-SG 2.98Å; T700-C704 VanDerWaalsContact O-SG 3.35Å; T700-I732 HydrophobicContact CG2-CG2 4.04Å
701	S	67.9	Low	68.4	Low	61 Å²	61	36.2 Å²	36.2	43%	0.427	19%	0.193	S	C	.	.	H	α-helix	trans	-58.8	-38.2	176	178.3	0	0	0	0	112.9	S699 V703 C704 H705	S699-S701 VanDerWaalsContact C-N 3.26Å; S699-S701 PolarHBondContact O-N 2.98Å; S701-V703 VanDerWaalsContact C-N 3.33Å; S701-V703 PolarHBondContact O-N 2.78Å; S701-C704 WeakPolarHBondContact O-CB 3.39Å; S701-C704 PolarHBondContact O-N 3.22Å; S701-H705 PolarHBondContact O-N 2.85Å; S701-H705 PolarHBondContact O-ND1 3.04Å; S701-H705 PolarHBondContact OG-CE1 3.22Å; S701-H705 PolarHBondContact OG-ND1 3.24Å
702	A	68	Low	67.3	Low	4 Å²	4	42.2 Å²	42.2	3%	0.033	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-42.1	175.4	0	0	0	0	0	111.1	V664 Y690 A694 S699 T700 H705 L706	V664-A702 HydrophobicContact CG1-CB 4.47Å; Y690-A702 HydrophobicContact CE1-CB 3.84Å; Y690-A702 VanDerWaalsContact CE1-O 3.3Å; Y690-A702 WeakPolarHBondContact CE1-O 3.47Å; Y690-A702 PolarHBondContact OH-O 3.1Å; Y690-A702 VanDerWaalsContact OH-O 3.12Å; A694-A702 HydrophobicContact CB-CB 4.17Å; S699-A702 PolarHBondContact O-N 2.73Å; S699-A702 PolarHBondContact OG-N 3.26Å; S699-A702 VanDerWaalsContact OG-N 3.13Å; T700-A702 VanDerWaalsContact C-N 3.31Å; T700-A702 PolarHBondContact O-N 3.42Å; A702-H705 PolarHBondContact O-N 3.4Å; A702-L706 PolarHBondContact O-N 2.79Å
703	V	64.6	Low	66.1	Low	3 Å²	3	42 Å²	42	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-70.7	-32.2	178.5	179.2	0	0	0	0	112.6	A694 T700 S701 L706 I707 V725 W729 I736	A694-V703 HydrophobicContact CB-CG2 3.52Å; T700-V703 PolarHBondContact O-N 2.98Å; T700-V703 VanDerWaalsContact O-N 3.09Å; S701-V703 VanDerWaalsContact C-N 3.33Å; S701-V703 PolarHBondContact O-N 2.78Å; V703-L706 PolarHBondContact O-N 2.81Å; V703-I707 HydrophobicContact CG1-CD1 4.02Å; V703-I707 PolarHBondContact O-N 2.89Å; V703-I707 VanDerWaalsContact O-N 3.1Å; V703-V725 HydrophobicContact CG1-CG1 4.47Å; V703-W729 HydrophobicContact CB-CE3 4.35Å; V703-W729 HydrophobicContact CB-CZ3 4.26Å; V703-W729 HydrophobicContact CG1-CE3 4.25Å; V703-W729 HydrophobicContact CG2-CE3 3.66Å; V703-W729 HydrophobicContact CG2-CZ3 3.46Å; V703-W729 VanDerWaalsContact CG2-CZ3 3.46Å; V703-I736 HydrophobicContact CG1-CD1 4.47Å
704	C	62.6	Low	64.2	Low	15 Å²	15	45.2 Å²	45.2	10%	0.101	25%	0.248	C	C	.	.	H	α-helix	trans	-57	-56.3	166.6	-61.1	0	0	0	0	110.7	T700 S701 L706 I707 E708	T700-C704 PolarHBondContact O-N 3.44Å; T700-C704 PolarHBondContact O-SG 2.98Å; T700-C704 VanDerWaalsContact O-SG 3.35Å; S701-C704 WeakPolarHBondContact O-CB 3.39Å; S701-C704 PolarHBondContact O-N 3.22Å; C704-L706 PolarHBondContact O-N 2.84Å; C704-I707 PolarHBondContact O-N 3Å; C704-I707 VanDerWaalsContact O-N 3.11Å; C704-E708 WeakPolarHBondContact CB-OE1 3.44Å; C704-E708 WeakPolarHBondContact O-CB 3.35Å; C704-E708 VanDerWaalsContact O-CG 3.24Å; C704-E708 WeakPolarHBondContact O-CG 3.3Å; C704-E708 PolarHBondContact O-N 3.13Å
705	H	66.7	Low	62.8	Low	78 Å²	78	49.1 Å²	49.1	36%	0.361	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-32.1	179.4	-70.1	104.8	0	0	0	113.6	L668 R672 S701 A702 E708 G709	L668-H705 HydrophobicContact CD2-CB 4Å; R672-H705 PolarHBondContact NH2-O 3.42Å; S701-H705 PolarHBondContact O-N 2.85Å; S701-H705 PolarHBondContact O-ND1 3.04Å; S701-H705 PolarHBondContact OG-CE1 3.22Å; S701-H705 PolarHBondContact OG-ND1 3.24Å; A702-H705 PolarHBondContact O-N 3.4Å; H705-E708 IonicContact CD2-OE2 2.9Å; H705-G709 PolarHBondContact O-N 3.24Å
706	L	65.9	Low	61.4	Low	5 Å²	5	48.9 Å²	48.9	3%	0.026	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-48.4	175	-175.7	67.8	0	0	0	111.7	L671 Y690 V691 A702 V703 C704 G709 A710 V725	L671-L706 HydrophobicContact CD1-CD1 3.63Å; Y690-L706 HydrophobicContact CD1-CB 4.05Å; Y690-L706 HydrophobicContact CD1-CD1 4.06Å; Y690-L706 HydrophobicContact CD1-CD2 3.67Å; Y690-L706 HydrophobicContact CD1-CG 4.14Å; Y690-L706 HydrophobicContact CD2-CD1 4.01Å; Y690-L706 HydrophobicContact CE1-CB 3.79Å; Y690-L706 HydrophobicContact CE1-CD1 4.36Å; Y690-L706 HydrophobicContact CE1-CD2 4.29Å; Y690-L706 HydrophobicContact CE1-CG 4.37Å; Y690-L706 HydrophobicContact CE2-CD1 4.32Å; Y690-L706 HydrophobicContact CG-CD1 3.87Å; Y690-L706 HydrophobicContact CG-CD2 4.04Å; Y690-L706 HydrophobicContact CG-CG 4.43Å; V691-L706 HydrophobicContact CG2-CD2 3.75Å; A702-L706 PolarHBondContact O-N 2.79Å; V703-L706 PolarHBondContact O-N 2.81Å; C704-L706 PolarHBondContact O-N 2.84Å; L706-G709 CarbonylContact O-C 3.56Å; L706-G709 WeakPolarHBondContact O-CA 3.38Å; L706-G709 PolarHBondContact O-N 3.08Å; L706-G709 VanDerWaalsContact O-N 3.14Å; L706-A710 PolarHBondContact O-N 3.29Å; L706-V725 HydrophobicContact CD2-CG1 4.23Å; L706-V725 HydrophobicContact CD2-CG2 3.6Å; L706-V725 HydrophobicContact CG-CG2 4.42Å
707	I	58.4	Low	59.7	Low	3 Å²	3	52.1 Å²	52.1	2%	0.015	29%	0.286	C	S	.	.	H	α-helix	trans	-76.2	-35.1	-177.3	-69.4	171	0	0	0	111.3	V703 C704 G709 A710 A711 V725 F746 I749 V750	V703-I707 HydrophobicContact CG1-CD1 4.02Å; V703-I707 PolarHBondContact O-N 2.89Å; V703-I707 VanDerWaalsContact O-N 3.1Å; C704-I707 PolarHBondContact O-N 3Å; C704-I707 VanDerWaalsContact O-N 3.11Å; I707-G709 PolarHBondContact O-N 2.96Å; I707-A710 PolarHBondContact O-N 3.28Å; I707-A711 VanDerWaalsContact O-CB 3.27Å; I707-A711 WeakPolarHBondContact O-CB 3.39Å; I707-A711 PolarHBondContact O-N 3.34Å; I707-V725 HydrophobicContact CD1-CG1 3.67Å; I707-V725 HydrophobicContact CG1-CG1 3.86Å; I707-F746 HydrophobicContact CB-CE1 4.26Å; I707-F746 HydrophobicContact CB-CE2 3.7Å; I707-F746 HydrophobicContact CB-CZ 3.41Å; I707-F746 VanDerWaalsContact CB-CZ 3.41Å; I707-F746 HydrophobicContact CD1-CE1 3.42Å; I707-F746 VanDerWaalsContact CD1-CE1 3.42Å; I707-F746 HydrophobicContact CD1-CE2 4.44Å; I707-F746 HydrophobicContact CD1-CZ 3.36Å; I707-F746 HydrophobicContact CG1-CE1 4.41Å; I707-F746 HydrophobicContact CG1-CZ 3.9Å; I707-F746 HydrophobicContact CG2-CD2 4.25Å; I707-F746 HydrophobicContact CG2-CE1 4.12Å; I707-F746 HydrophobicContact CG2-CE2 3.57Å; I707-F746 HydrophobicContact CG2-CZ 3.54Å; I707-I749 HydrophobicContact CG2-CG2 4.49Å; I707-V750 HydrophobicContact CG2-CG2 4.09Å
708	E	57.2	Low	58.3	Low	75 Å²	75	51.3 Å²	51.3	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-56	-40.5	163.4	-70.2	158.9	-152.3	0	0	111	C704 H705 A711 M712	C704-E708 WeakPolarHBondContact CB-OE1 3.44Å; C704-E708 WeakPolarHBondContact O-CB 3.35Å; C704-E708 VanDerWaalsContact O-CG 3.24Å; C704-E708 WeakPolarHBondContact O-CG 3.3Å; C704-E708 PolarHBondContact O-N 3.13Å; H705-E708 IonicContact CD2-OE2 2.9Å; E708-A711 PolarHBondContact O-N 2.81Å; E708-M712 HydrophobicContact CB-CE 4.46Å; E708-M712 WeakPolarHBondContact O-CB 3.3Å; E708-M712 WeakPolarHBondContact O-CE 3.29Å; E708-M712 WeakPolarHBondContact O-CG 3.42Å; E708-M712 PolarHBondContact O-N 2.97Å
709	G	57.8	Low	56.9	Low	3 Å²	3	43 Å²	43	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-53.8	173.4	0	0	0	0	0	111.7	H705 L706 I707 A711 M712 L713	H705-G709 PolarHBondContact O-N 3.24Å; L706-G709 CarbonylContact O-C 3.56Å; L706-G709 WeakPolarHBondContact O-CA 3.38Å; L706-G709 PolarHBondContact O-N 3.08Å; L706-G709 VanDerWaalsContact O-N 3.14Å; I707-G709 PolarHBondContact O-N 2.96Å; G709-A711 PolarHBondContact O-N 3.03Å; G709-M712 PolarHBondContact O-N 3.03Å; G709-L713 WeakPolarHBondContact O-CG 3.38Å; G709-L713 PolarHBondContact O-N 2.99Å
710	A	56.9	Low	55.6	Low	4 Å²	4	44.8 Å²	44.8	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-61	-26.2	177.9	0	0	0	0	0	113.4	L706 I707 L721	L706-A710 PolarHBondContact O-N 3.29Å; I707-A710 PolarHBondContact O-N 3.28Å; A710-L721 HydrophobicContact CB-CD2 4.22Å
711	A	49.8	Very low	55	Low	34 Å²	34	42.2 Å²	42.2	28%	0.281	23%	0.234	S	C	.	.	H	α-helix	trans	-84.4	-20.7	175.1	0	0	0	0	0	114.4	I707 E708 G709 I749 L753	I707-A711 VanDerWaalsContact O-CB 3.27Å; I707-A711 WeakPolarHBondContact O-CB 3.39Å; I707-A711 PolarHBondContact O-N 3.34Å; E708-A711 PolarHBondContact O-N 2.81Å; G709-A711 PolarHBondContact O-N 3.03Å; A711-I749 HydrophobicContact CB-CG2 3.42Å; A711-I749 VanDerWaalsContact CB-CG2 3.42Å; A711-L753 HydrophobicContact CB-CD1 4.28Å
712	M	46.9	Very low	54.2	Low	127 Å²	127	39.4 Å²	39.4	63%	0.626	21%	0.214	S	C	*	.	H	α-helix	trans	-91.1	-19	174.1	-74.7	-172.4	-67.2	0	0	113.2	R672 E708 G709	R672-M712 VanDerWaalsContact CZ-CE 3.5Å; E708-M712 HydrophobicContact CB-CE 4.46Å; E708-M712 WeakPolarHBondContact O-CB 3.3Å; E708-M712 WeakPolarHBondContact O-CE 3.29Å; E708-M712 WeakPolarHBondContact O-CG 3.42Å; E708-M712 PolarHBondContact O-N 2.97Å; G709-M712 PolarHBondContact O-N 3.03Å
713	L	48.9	Very low	53.5	Low	21 Å²	21	39.7 Å²	39.7	11%	0.11	22%	0.215	C	C	.	.			trans	-62.6	144.4	161.2	-64.1	177.3	0	0	0	109	H675 G709 E718 L721	H675-L713 HydrophobicContact CB-CD2 4.38Å; G709-L713 WeakPolarHBondContact O-CG 3.38Å; G709-L713 PolarHBondContact O-N 2.99Å; L713-E718 HydrophobicContact CB-CG 4.19Å; L713-E718 VanDerWaalsContact O-CG 3.23Å; L713-E718 WeakPolarHBondContact O-CG 3.26Å; L713-L721 HydrophobicContact CD1-CD2 3.85Å
714	A	45	Very low	52.9	Low	68 Å²	68	39.6 Å²	39.6	56%	0.562	22%	0.215	S	C	*	.			trans	-128.5	20.5	-161.5	0	0	0	0	0	114.7	E718	A714-E718 WeakPolarHBondContact CA-OE1 3.26Å
715	V	47.3	Very low	52.6	Low	82 Å²	82	39 Å²	39	50%	0.497	21%	0.211	S	C	.	.	S	Bend	trans	-134.1	147.6	-175.9	-173	0	0	0	0	109.6	E717 E718	V715-E717 PolarHBondContact O-N 3.15Å; V715-E718 PolarHBondContact N-OE1 3.15Å; V715-E718 WeakPolarHBondContact O-CB 3.23Å; V715-E718 WeakPolarHBondContact O-CG 3Å; V715-E718 PolarHBondContact O-N 3.21Å
716	E	43.6	Very low	52	Low	91 Å²	91	35.5 Å²	35.5	43%	0.425	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-7.5	-154.4	-58.2	169.7	147.8	0	0	116.4	E718 R819	E716-E718 VanDerWaalsContact C-N 3.29Å; E716-R819 VanDerWaalsContact CD-NH2 3.3Å; E716-R819 WeakPolarHBondContact OE1-CD 3.35Å; E716-R819 IonicContact OE1-CZ 2.69Å; E716-R819 IonicContact OE1-NE 3.28Å; E716-R819 PolarHBondContact OE1-NE 3.1Å; E716-R819 IonicContact OE1-NH1 3.6Å; E716-R819 IonicContact OE1-NH2 3.28Å; E716-R819 PolarHBondContact OE1-NH2 3.31Å; E716-R819 IonicContact OE2-CZ 3.09Å; E716-R819 IonicContact OE2-NE 3.77Å; E716-R819 IonicContact OE2-NH1 3.1Å; E716-R819 PolarHBondContact OE2-NH1 2.78Å; E716-R819 IonicContact OE2-NH2 3.43Å; E716-R819 PolarHBondContact OE2-NH2 3.4Å
717	E	46.4	Very low	51.2	Low	104 Å²	104	36.4 Å²	36.4	49%	0.486	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-18	170.6	-58.5	-179.7	131.2	0	0	113.1	M683 V715 V719 E720 L721	M683-E717 VanDerWaalsContact CE-OE2 3.24Å; M683-E717 WeakPolarHBondContact CE-OE2 3.47Å; V715-E717 PolarHBondContact O-N 3.15Å; E717-V719 PolarHBondContact O-N 3.33Å; E717-E720 PolarHBondContact O-N 3.07Å; E717-L721 PolarHBondContact O-N 2.72Å
718	E	52.6	Low	50.9	Low	13 Å²	13	38 Å²	38	6%	0.061	21%	0.211	C	C	.	.	H	α-helix	trans	-31.3	-46.8	169.5	-86.8	174.4	-127.3	0	0	114	L713 A714 V715 E716 L721 A722 L753 K756	L713-E718 HydrophobicContact CB-CG 4.19Å; L713-E718 VanDerWaalsContact O-CG 3.23Å; L713-E718 WeakPolarHBondContact O-CG 3.26Å; A714-E718 WeakPolarHBondContact CA-OE1 3.26Å; V715-E718 PolarHBondContact N-OE1 3.15Å; V715-E718 WeakPolarHBondContact O-CB 3.23Å; V715-E718 WeakPolarHBondContact O-CG 3Å; V715-E718 PolarHBondContact O-N 3.21Å; E716-E718 VanDerWaalsContact C-N 3.29Å; E718-L721 WeakPolarHBondContact O-CB 3.21Å; E718-A722 WeakPolarHBondContact O-CB 3.35Å; E718-A722 PolarHBondContact O-N 2.99Å; E718-L753 HydrophobicContact CB-CD2 4.06Å; E718-L753 HydrophobicContact CG-CD2 4.48Å; E718-L753 WeakPolarHBondContact OE2-CD2 3.42Å; E718-K756 IonicContact OE1-NZ 2.92Å; E718-K756 PolarHBondContact OE1-NZ 3.29Å; E718-K756 VanDerWaalsContact OE2-CD 3.24Å; E718-K756 WeakPolarHBondContact OE2-CD 3.37Å; E718-K756 WeakPolarHBondContact OE2-CE 3.46Å; E718-K756 IonicContact OE2-NZ 3.67Å; E718-K756 PolarHBondContact OE2-NZ 3Å
719	V	48.1	Very low	50.9	Low	8 Å²	8	35.5 Å²	35.5	5%	0.048	20%	0.198	C	C	.	.	H	α-helix	trans	-88.2	-28.3	-165.1	-164.1	0	0	0	0	112.7	E717 L721 A722 M723 L753 K756 S757	E717-V719 PolarHBondContact O-N 3.33Å; V719-L721 VanDerWaalsContact C-N 3.27Å; V719-A722 PolarHBondContact O-N 3.16Å; V719-M723 HydrophobicContact CG1-CG 4.09Å; V719-M723 WeakPolarHBondContact O-CB 3.25Å; V719-M723 WeakPolarHBondContact O-CG 3.49Å; V719-M723 PolarHBondContact O-N 3.48Å; V719-L753 HydrophobicContact CG1-CB 4.45Å; V719-L753 WeakPolarHBondContact CG1-O 3.41Å; V719-L753 HydrophobicContact CG2-CD2 4.32Å; V719-L753 WeakPolarHBondContact CG2-O 3.47Å; V719-K756 HydrophobicContact CG2-CB 3.87Å; V719-S757 VanDerWaalsContact CG1-CB 3.44Å; V719-S757 WeakPolarHBondContact CG1-OG 3.38Å
720	E	47.2	Very low	50.7	Low	74 Å²	74	38 Å²	38	35%	0.346	21%	0.214	S	C	.	.	H	α-helix	trans	-67.2	-38	169.1	-66.3	-157.2	145.4	0	0	109.8	L620 E717 M723 S724	L620-E720 HydrophobicContact CD1-CB 3.81Å; L620-E720 HydrophobicContact CD1-CG 4.3Å; L620-E720 WeakPolarHBondContact CD1-O 3.3Å; E717-E720 PolarHBondContact O-N 3.07Å; E720-M723 PolarHBondContact O-N 2.79Å; E720-S724 WeakPolarHBondContact O-CB 3.44Å; E720-S724 PolarHBondContact O-N 2.96Å
721	L	52.5	Low	50.6	Low	14 Å²	14	46.1 Å²	46.1	7%	0.073	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-52.6	172.2	-154.7	72.4	0	0	0	111.7	M683 C687 A710 L713 E717 E718 V719 V725	M683-L721 HydrophobicContact CB-CD1 3.82Å; M683-L721 WeakPolarHBondContact O-CD1 3.46Å; C687-L721 HydrophobicContact CB-CD1 3.9Å; C687-L721 HydrophobicContact CB-CG 4.34Å; C687-L721 WeakPolarHBondContact SG-CD1 3.28Å; C687-L721 VanDerWaalsContact SG-CG 3.53Å; A710-L721 HydrophobicContact CB-CD2 4.22Å; L713-L721 HydrophobicContact CD1-CD2 3.85Å; E717-L721 PolarHBondContact O-N 2.72Å; E718-L721 WeakPolarHBondContact O-CB 3.21Å; V719-L721 VanDerWaalsContact C-N 3.27Å; L721-V725 WeakPolarHBondContact O-CG2 3.35Å; L721-V725 PolarHBondContact O-N 2.89Å
722	A	52.9	Low	50.8	Low	1 Å²	1	46 Å²	46	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-43.3	177.1	0	0	0	0	0	112.3	E718 V719 V725 L726 L753	E718-A722 WeakPolarHBondContact O-CB 3.35Å; E718-A722 PolarHBondContact O-N 2.99Å; V719-A722 PolarHBondContact O-N 3.16Å; A722-V725 WeakPolarHBondContact O-CB 3.43Å; A722-V725 PolarHBondContact O-N 3.11Å; A722-L726 WeakPolarHBondContact O-CD1 3.47Å; A722-L726 WeakPolarHBondContact O-CG 3.4Å; A722-L726 PolarHBondContact O-N 2.92Å; A722-L753 HydrophobicContact CB-CB 4.46Å; A722-L753 HydrophobicContact CB-CD1 3.93Å
723	M	51.4	Low	51.2	Low	10 Å²	10	40.6 Å²	40.6	5%	0.049	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-38.1	-179.7	-80.9	-65.1	-66.1	0	0	113.2	L620 V719 E720 V725 L726 I727 L754 L769	L620-M723 HydrophobicContact CD1-CB 4.06Å; L620-M723 HydrophobicContact CD2-CB 3.83Å; V719-M723 HydrophobicContact CG1-CG 4.09Å; V719-M723 WeakPolarHBondContact O-CB 3.25Å; V719-M723 WeakPolarHBondContact O-CG 3.49Å; V719-M723 PolarHBondContact O-N 3.48Å; E720-M723 PolarHBondContact O-N 2.79Å; M723-V725 VanDerWaalsContact C-N 3.27Å; M723-V725 PolarHBondContact O-N 3.3Å; M723-L726 PolarHBondContact O-N 2.72Å; M723-L726 HydrophobicContact SD-CD1 4Å; M723-I727 HydrophobicContact CE-CD1 4.05Å; M723-I727 HydrophobicContact CE-CG1 4.22Å; M723-I727 WeakPolarHBondContact O-CB 3.49Å; M723-I727 WeakPolarHBondContact O-CG1 3.49Å; M723-I727 PolarHBondContact O-N 2.86Å; M723-L754 HydrophobicContact CE-CD2 4.49Å; M723-L754 HydrophobicContact SD-CD2 3.47Å; M723-L754 WeakPolarHBondContact SD-CD2 3.29Å; M723-L754 HydrophobicContact SD-CG 4.44Å; M723-L769 HydrophobicContact CE-CD1 3.51Å; M723-L769 HydrophobicContact CE-CD2 4.07Å; M723-L769 HydrophobicContact CE-CG 4.44Å; M723-L769 HydrophobicContact SD-CD1 4.4Å
724	S	52	Low	51.5	Low	2 Å²	2	43.3 Å²	43.3	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-33.8	176	-151.8	0	0	0	0	111.2	E684 E720 S728	E684-S724 WeakPolarHBondContact CG-OG 3.23Å; E684-S724 WeakPolarHBondContact OE1-CB 3.39Å; E684-S724 PolarHBondContact OE1-OG 3.24Å; E720-S724 WeakPolarHBondContact O-CB 3.44Å; E720-S724 PolarHBondContact O-N 2.96Å; S724-S728 VanDerWaalsContact O-CB 3.24Å; S724-S728 WeakPolarHBondContact O-CB 3.37Å; S724-S728 PolarHBondContact O-N 3.21Å; S724-S728 VanDerWaalsContact O-N 3.16Å; S724-S728 PolarHBondContact O-OG 3.02Å
725	V	56.3	Low	52.1	Low	3 Å²	3	45.8 Å²	45.8	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-66.6	-46.2	170.2	176	0	0	0	0	111.6	C687 V691 V703 L706 I707 L721 A722 M723 S728 W729	C687-V725 HydrophobicContact CB-CG2 4.21Å; V691-V725 HydrophobicContact CG2-CB 4.13Å; V691-V725 HydrophobicContact CG2-CG1 3.72Å; V691-V725 HydrophobicContact CG2-CG2 3.83Å; V703-V725 HydrophobicContact CG1-CG1 4.47Å; L706-V725 HydrophobicContact CD2-CG1 4.23Å; L706-V725 HydrophobicContact CD2-CG2 3.6Å; L706-V725 HydrophobicContact CG-CG2 4.42Å; I707-V725 HydrophobicContact CD1-CG1 3.67Å; I707-V725 HydrophobicContact CG1-CG1 3.86Å; L721-V725 WeakPolarHBondContact O-CG2 3.35Å; L721-V725 PolarHBondContact O-N 2.89Å; A722-V725 WeakPolarHBondContact O-CB 3.43Å; A722-V725 PolarHBondContact O-N 3.11Å; M723-V725 VanDerWaalsContact C-N 3.27Å; M723-V725 PolarHBondContact O-N 3.3Å; V725-S728 PolarHBondContact O-N 3.14Å; V725-W729 PolarHBondContact O-N 2.68Å; V725-W729 VanDerWaalsContact O-N 3.08Å
726	L	54.2	Low	52.4	Low	3 Å²	3	42.1 Å²	42.1	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-44.9	-178.3	-69.9	163.7	0	0	0	113.4	A722 M723 S728 W729 F733 V750 F773	A722-L726 WeakPolarHBondContact O-CD1 3.47Å; A722-L726 WeakPolarHBondContact O-CG 3.4Å; A722-L726 PolarHBondContact O-N 2.92Å; M723-L726 PolarHBondContact O-N 2.72Å; M723-L726 HydrophobicContact SD-CD1 4Å; L726-S728 VanDerWaalsContact C-N 3.31Å; L726-W729 PolarHBondContact O-N 2.81Å; L726-F733 HydrophobicContact CD2-CB 4.18Å; L726-F733 HydrophobicContact CD2-CD1 3.67Å; L726-F733 HydrophobicContact CD2-CD2 3.25Å; L726-F733 HydrophobicContact CD2-CE1 3.85Å; L726-F733 HydrophobicContact CD2-CE2 3.47Å; L726-F733 VanDerWaalsContact CD2-CE2 3.47Å; L726-F733 HydrophobicContact CD2-CG 3.37Å; L726-F733 HydrophobicContact CD2-CZ 3.76Å; L726-V750 HydrophobicContact CD1-CB 4.48Å; L726-V750 HydrophobicContact CD1-CG1 3.47Å; L726-V750 VanDerWaalsContact CD1-CG1 3.47Å; L726-V750 HydrophobicContact CD1-CG2 4.25Å; L726-V750 HydrophobicContact CD2-CG1 3.77Å; L726-V750 HydrophobicContact CD2-CG2 4.03Å; L726-V750 HydrophobicContact CG-CG1 4.27Å; L726-F773 HydrophobicContact CB-CE1 4.4Å; L726-F773 HydrophobicContact CB-CE2 4.26Å; L726-F773 HydrophobicContact CB-CZ 3.84Å; L726-F773 WeakPolarHBondContact O-CE1 3.23Å
727	I	50.9	Low	52.7	Low	25 Å²	25	38.2 Å²	38.2	13%	0.128	19%	0.187	C	C	.	.	H	α-helix	trans	-66.1	-36.4	176	-68.4	-178	0	0	0	110.7	L620 F629 I632 M723	L620-I727 HydrophobicContact CD2-CD1 3.52Å; F629-I727 HydrophobicContact CD1-CG2 4.45Å; F629-I727 HydrophobicContact CE1-CG1 4.29Å; F629-I727 HydrophobicContact CE1-CG2 4.45Å; I632-I727 HydrophobicContact CD1-CG2 4.3Å; M723-I727 HydrophobicContact CE-CD1 4.05Å; M723-I727 HydrophobicContact CE-CG1 4.22Å; M723-I727 WeakPolarHBondContact O-CB 3.49Å; M723-I727 WeakPolarHBondContact O-CG1 3.49Å; M723-I727 PolarHBondContact O-N 2.86Å
728	S	51.1	Low	52.9	Low	37 Å²	37	36 Å²	36	26%	0.259	18%	0.183	S	C	.	.	H	α-helix	trans	-65.6	-39.4	177.8	-65.3	0	0	0	0	112.5	S724 V725 L726 P730	S724-S728 VanDerWaalsContact O-CB 3.24Å; S724-S728 WeakPolarHBondContact O-CB 3.37Å; S724-S728 PolarHBondContact O-N 3.21Å; S724-S728 VanDerWaalsContact O-N 3.16Å; S724-S728 PolarHBondContact O-OG 3.02Å; V725-S728 PolarHBondContact O-N 3.14Å; L726-S728 VanDerWaalsContact C-N 3.31Å; S728-P730 VanDerWaalsContact C-CD 3.49Å
729	W	58.3	Low	53	Low	22 Å²	22	37.5 Å²	37.5	8%	0.083	19%	0.191	C	C	.	.			trans	-130.4	52.5	-163.8	-114.5	40	0	0	0	116.5	V691 E695 V703 V725 L726 K731 I732 F733	V691-W729 HydrophobicContact CG1-CB 3.81Å; V691-W729 HydrophobicContact CG1-CD2 3.88Å; V691-W729 HydrophobicContact CG1-CE3 4.48Å; V691-W729 HydrophobicContact CG1-CG 3.5Å; E695-W729 HydrophobicContact CB-CH2 4.15Å; E695-W729 HydrophobicContact CB-CZ2 3.27Å; E695-W729 HydrophobicContact CG-CZ2 3.65Å; E695-W729 PolarHBondContact OE2-NE1 3.22Å; V703-W729 HydrophobicContact CB-CE3 4.35Å; V703-W729 HydrophobicContact CB-CZ3 4.26Å; V703-W729 HydrophobicContact CG1-CE3 4.25Å; V703-W729 HydrophobicContact CG2-CE3 3.66Å; V703-W729 HydrophobicContact CG2-CZ3 3.46Å; V703-W729 VanDerWaalsContact CG2-CZ3 3.46Å; V725-W729 PolarHBondContact O-N 2.68Å; V725-W729 VanDerWaalsContact O-N 3.08Å; L726-W729 PolarHBondContact O-N 2.81Å; W729-K731 VanDerWaalsContact C-N 3.32Å; W729-K731 PolarHBondContact O-N 2.85Å; W729-I732 HydrophobicContact CD2-CB 4.28Å; W729-I732 HydrophobicContact CD2-CD1 4.43Å; W729-I732 HydrophobicContact CE3-CB 3.66Å; W729-I732 HydrophobicContact CE3-CD1 4.02Å; W729-I732 HydrophobicContact CE3-CG1 4.42Å; W729-I732 HydrophobicContact CE3-CG2 3.64Å; W729-I732 HydrophobicContact CH2-CB 4.45Å; W729-I732 HydrophobicContact CH2-CD1 3.21Å; W729-I732 HydrophobicContact CH2-CG1 4.38Å; W729-I732 HydrophobicContact CH2-CG2 4.45Å; W729-I732 HydrophobicContact CZ2-CD1 3.62Å; W729-I732 HydrophobicContact CZ3-CB 3.8Å; W729-I732 HydrophobicContact CZ3-CD1 3.45Å; W729-I732 VanDerWaalsContact CZ3-CD1 3.45Å; W729-I732 HydrophobicContact CZ3-CG1 4.2Å; W729-I732 HydrophobicContact CZ3-CG2 3.53Å; W729-I732 PolarHBondContact O-N 2.71Å; W729-F733 WeakPolarHBondContact O-CB 3.18Å; W729-F733 PolarHBondContact O-N 2.95Å
730	P	52.3	Low	53	Low	56 Å²	56	43.5 Å²	43.5	36%	0.364	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-28.3	-172	24.8	-35.5	0	0	0	115.2	S728 K734 F773	S728-P730 VanDerWaalsContact C-CD 3.49Å; P730-K734 WeakPolarHBondContact O-CB 3.42Å; P730-K734 PolarHBondContact O-N 2.91Å; P730-F773 HydrophobicContact CB-CD1 4.31Å; P730-F773 HydrophobicContact CB-CE1 4.26Å
731	K	55.2	Low	53.3	Low	174 Å²	174	49.1 Å²	49.1	76%	0.757	25%	0.251	S	S	*	.	H	α-helix	trans	-68	-55.5	178.3	-75.2	-170.9	176.9	-175.9	0	112	W729 F733 K734 E735	W729-K731 VanDerWaalsContact C-N 3.32Å; W729-K731 PolarHBondContact O-N 2.85Å; K731-F733 VanDerWaalsContact C-N 3.31Å; K731-K734 PolarHBondContact O-N 3.35Å; K731-K734 VanDerWaalsContact O-N 3.09Å; K731-E735 PolarHBondContact O-N 3.04Å
732	I	54.7	Low	53.3	Low	32 Å²	32	52.5 Å²	52.5	16%	0.164	27%	0.265	C	S	.	.	H	α-helix	trans	-75.5	-24.6	-179.1	-75.5	164.2	0	0	0	110.9	T700 W729 E735 I736	T700-I732 HydrophobicContact CG2-CG2 4.04Å; W729-I732 HydrophobicContact CD2-CB 4.28Å; W729-I732 HydrophobicContact CD2-CD1 4.43Å; W729-I732 HydrophobicContact CE3-CB 3.66Å; W729-I732 HydrophobicContact CE3-CD1 4.02Å; W729-I732 HydrophobicContact CE3-CG1 4.42Å; W729-I732 HydrophobicContact CE3-CG2 3.64Å; W729-I732 HydrophobicContact CH2-CB 4.45Å; W729-I732 HydrophobicContact CH2-CD1 3.21Å; W729-I732 HydrophobicContact CH2-CG1 4.38Å; W729-I732 HydrophobicContact CH2-CG2 4.45Å; W729-I732 HydrophobicContact CZ2-CD1 3.62Å; W729-I732 HydrophobicContact CZ3-CB 3.8Å; W729-I732 HydrophobicContact CZ3-CD1 3.45Å; W729-I732 VanDerWaalsContact CZ3-CD1 3.45Å; W729-I732 HydrophobicContact CZ3-CG1 4.2Å; W729-I732 HydrophobicContact CZ3-CG2 3.53Å; W729-I732 PolarHBondContact O-N 2.71Å; I732-E735 PolarHBondContact O-N 3.43Å; I732-I736 HydrophobicContact CG2-CD1 3.57Å; I732-I736 HydrophobicContact CG2-CG1 4.14Å; I732-I736 WeakPolarHBondContact O-CD1 3.48Å; I732-I736 WeakPolarHBondContact O-CG1 3.49Å; I732-I736 PolarHBondContact O-N 3.27Å
733	F	54.3	Low	52.7	Low	12 Å²	12	61.4 Å²	61.4	5%	0.053	31%	0.307	C	S	.	.	H	α-helix	trans	-59.7	-49.2	162	-178.9	-111.9	0	0	0	111.6	L726 W729 K731 E735 I736 A737 F746 V750 F773	L726-F733 HydrophobicContact CD2-CB 4.18Å; L726-F733 HydrophobicContact CD2-CD1 3.67Å; L726-F733 HydrophobicContact CD2-CD2 3.25Å; L726-F733 HydrophobicContact CD2-CE1 3.85Å; L726-F733 HydrophobicContact CD2-CE2 3.47Å; L726-F733 VanDerWaalsContact CD2-CE2 3.47Å; L726-F733 HydrophobicContact CD2-CG 3.37Å; L726-F733 HydrophobicContact CD2-CZ 3.76Å; W729-F733 WeakPolarHBondContact O-CB 3.18Å; W729-F733 PolarHBondContact O-N 2.95Å; K731-F733 VanDerWaalsContact C-N 3.31Å; F733-E735 VanDerWaalsContact C-N 3.32Å; F733-E735 PolarHBondContact O-N 2.95Å; F733-I736 PolarHBondContact O-N 2.74Å; F733-A737 HydrophobicContact CD1-CB 4.34Å; F733-A737 HydrophobicContact CD2-CB 4.26Å; F733-A737 HydrophobicContact CE1-CB 3.87Å; F733-A737 HydrophobicContact CE2-CB 3.76Å; F733-A737 HydrophobicContact CZ-CB 3.54Å; F733-A737 WeakPolarHBondContact O-CB 3.27Å; F733-A737 PolarHBondContact O-N 3.04Å; F733-F746 AromaticContact CD2-CD1 3.85Å; F733-F746 HydrophobicContact CD2-CD1 3.85Å; F733-F746 AromaticContact CD2-CE1 3.98Å; F733-F746 HydrophobicContact CD2-CE1 3.98Å; F733-F746 AromaticContact CE2-CD1 3.7Å; F733-F746 HydrophobicContact CE2-CD1 3.7Å; F733-F746 HydrophobicContact CE2-CE1 4.21Å; F733-V750 HydrophobicContact CE1-CG1 4.25Å; F733-V750 HydrophobicContact CE2-CB 3.82Å; F733-V750 HydrophobicContact CE2-CG1 3.87Å; F733-V750 HydrophobicContact CE2-CG2 3.65Å; F733-V750 HydrophobicContact CZ-CB 3.78Å; F733-V750 HydrophobicContact CZ-CG1 3.46Å; F733-V750 VanDerWaalsContact CZ-CG1 3.46Å; F733-V750 HydrophobicContact CZ-CG2 4.13Å; F733-F773 HydrophobicContact CD1-CB 3.99Å; F733-F773 HydrophobicContact CD1-CD1 4.15Å; F733-F773 HydrophobicContact CD1-CG 4.1Å; F733-F773 HydrophobicContact CE1-CB 3.82Å; F733-F773 HydrophobicContact CE1-CG 4.16Å
734	K	54.8	Low	52.6	Low	79 Å²	79	67.4 Å²	67.4	34%	0.343	34%	0.335	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.2	-170.7	172.6	-177.8	174.1	0	111.8	P730 K731 I736 A737 C738 C774	P730-K734 WeakPolarHBondContact O-CB 3.42Å; P730-K734 PolarHBondContact O-N 2.91Å; K731-K734 PolarHBondContact O-N 3.35Å; K731-K734 VanDerWaalsContact O-N 3.09Å; K734-I736 PolarHBondContact O-N 3.36Å; K734-A737 PolarHBondContact O-N 3.12Å; K734-C738 VanDerWaalsContact O-CB 3.24Å; K734-C738 WeakPolarHBondContact O-CB 3.37Å; K734-C738 PolarHBondContact O-N 3.01Å; K734-C738 PolarHBondContact O-SG 2.91Å; K734-C774 WeakPolarHBondContact CE-O 3.16Å; K734-C774 PolarHBondContact NZ-O 3.42Å
735	E	58.1	Low	52.6	Low	120 Å²	120	68.7 Å²	68.7	56%	0.561	34%	0.343	S	S	*	.	H	α-helix	trans	-60	-41.2	176.5	-70.4	170.4	-159.9	0	0	113	K731 I732 F733 D739	K731-E735 PolarHBondContact O-N 3.04Å; I732-E735 PolarHBondContact O-N 3.43Å; F733-E735 VanDerWaalsContact C-N 3.32Å; F733-E735 PolarHBondContact O-N 2.95Å; E735-D739 WeakPolarHBondContact O-CB 3.04Å; E735-D739 PolarHBondContact O-N 3.38Å
736	I	53.9	Low	52.3	Low	5 Å²	5	69.1 Å²	69.1	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-82.8	-32.4	-179.3	-55.1	162.7	0	0	0	111.7	V703 I732 F733 K734 F746	V703-I736 HydrophobicContact CG1-CD1 4.47Å; I732-I736 HydrophobicContact CG2-CD1 3.57Å; I732-I736 HydrophobicContact CG2-CG1 4.14Å; I732-I736 WeakPolarHBondContact O-CD1 3.48Å; I732-I736 WeakPolarHBondContact O-CG1 3.49Å; I732-I736 PolarHBondContact O-N 3.27Å; F733-I736 PolarHBondContact O-N 2.74Å; K734-I736 PolarHBondContact O-N 3.36Å; I736-F746 HydrophobicContact CB-CD1 3.74Å; I736-F746 HydrophobicContact CB-CE1 3.89Å; I736-F746 HydrophobicContact CB-CG 4.33Å; I736-F746 HydrophobicContact CD1-CE1 4.12Å; I736-F746 HydrophobicContact CD1-CZ 4.38Å; I736-F746 HydrophobicContact CG2-CB 3.7Å; I736-F746 HydrophobicContact CG2-CD1 3.35Å; I736-F746 HydrophobicContact CG2-CD2 3.9Å; I736-F746 HydrophobicContact CG2-CE1 3.59Å; I736-F746 HydrophobicContact CG2-CE2 4.12Å; I736-F746 HydrophobicContact CG2-CG 3.48Å; I736-F746 VanDerWaalsContact CG2-CG 3.48Å; I736-F746 HydrophobicContact CG2-CZ 3.92Å; I736-F746 WeakPolarHBondContact O-CB 3.3Å
737	A	50.4	Low	52	Low	9 Å²	9	69.4 Å²	69.4	7%	0.074	35%	0.348	C	S	.	.	H	α-helix	trans	-74.1	-35.9	179.4	0	0	0	0	0	113.1	F733 K734 A747	F733-A737 HydrophobicContact CD1-CB 4.34Å; F733-A737 HydrophobicContact CD2-CB 4.26Å; F733-A737 HydrophobicContact CE1-CB 3.87Å; F733-A737 HydrophobicContact CE2-CB 3.76Å; F733-A737 HydrophobicContact CZ-CB 3.54Å; F733-A737 WeakPolarHBondContact O-CB 3.27Å; F733-A737 PolarHBondContact O-N 3.04Å; K734-A737 PolarHBondContact O-N 3.12Å; A737-A747 HydrophobicContact CB-CB 4.17Å
738	C	49.4	Very low	52	Low	58 Å²	58	72.4 Å²	72.4	39%	0.392	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.8	176.1	-58.1	0	0	0	0	113	K734 T740	K734-C738 VanDerWaalsContact O-CB 3.24Å; K734-C738 WeakPolarHBondContact O-CB 3.37Å; K734-C738 PolarHBondContact O-N 3.01Å; K734-C738 PolarHBondContact O-SG 2.91Å; C738-T740 PolarHBondContact O-N 2.81Å
739	D	54.8	Low	52	Low	43 Å²	43	72.6 Å²	72.6	23%	0.23	36%	0.355	C	S	.	.			trans	-74.8	85.5	177.2	-169.3	-1.8	0	0	0	111.3	E735 K741 K742	E735-D739 WeakPolarHBondContact O-CB 3.04Å; E735-D739 PolarHBondContact O-N 3.38Å; D739-K741 PolarHBondContact O-N 3.21Å; D739-K741 WeakPolarHBondContact OD1-CB 3.26Å; D739-K741 PolarHBondContact OD1-N 2.83Å; D739-K742 HydrophobicContact CB-CD 4.29Å; D739-K742 PolarHBondContact O-N 3.18Å; D739-K742 WeakPolarHBondContact OD2-CD 2.98Å; D739-K742 WeakPolarHBondContact OD2-CE 3.15Å; D739-K742 IonicContact OD2-NZ 2.86Å; D739-K742 PolarHBondContact OD2-NZ 2.78Å
740	T	47.8	Very low	51.6	Low	135 Å²	135	71.6 Å²	71.6	83%	0.828	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-3.9	178.6	54.7	0	0	0	0	114.4	C738	C738-T740 PolarHBondContact O-N 2.81Å
741	K	53.9	Low	51.6	Low	191 Å²	191	70.6 Å²	70.6	83%	0.83	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-2.2	177.4	-58.3	179.7	179.5	177.6	0	113.6	D739	D739-K741 PolarHBondContact O-N 3.21Å; D739-K741 WeakPolarHBondContact OD1-CB 3.26Å; D739-K741 PolarHBondContact OD1-N 2.83Å
742	K	52.6	Low	51.4	Low	86 Å²	86	63.4 Å²	63.4	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-102.4	127.5	176.6	-70.9	175.4	177.6	129.7	0	110.9	D739 Q744	D739-K742 HydrophobicContact CB-CD 4.29Å; D739-K742 PolarHBondContact O-N 3.18Å; D739-K742 WeakPolarHBondContact OD2-CD 2.98Å; D739-K742 WeakPolarHBondContact OD2-CE 3.15Å; D739-K742 IonicContact OD2-NZ 2.86Å; D739-K742 PolarHBondContact OD2-NZ 2.78Å; K742-Q744 CarbonylContact O-C 3.56Å; K742-Q744 PolarHBondContact O-N 3.4Å
743	E	40.6	Very low	51.2	Low	188 Å²	188	62.1 Å²	62.1	88%	0.879	31%	0.309	S	S	*	.	S	Bend	trans	-58.5	-23.7	-178.9	-58.8	178.7	147.8	0	0	113.3	R748	E743-R748 PolarHBondContact O-NH1 3.33Å
744	Q	48.4	Very low	51	Low	136 Å²	136	61.7 Å²	61.7	64%	0.636	31%	0.308	S	S	*	.	S	Bend	trans	-116.3	102.2	164.5	-61.4	-171.8	8	0	0	109.6	K742 F746	K742-Q744 CarbonylContact O-C 3.56Å; K742-Q744 PolarHBondContact O-N 3.4Å; Q744-F746 PolarHBondContact O-N 3.43Å
745	P	52.4	Low	50.7	Low	29 Å²	29	58.6 Å²	58.6	19%	0.188	30%	0.295	C	S	.	.			trans	-57.5	121.8	166.2	-20.7	32.9	0	0	0	108.9	A747 R748	P745-A747 PolarHBondContact O-N 3.04Å; P745-A747 VanDerWaalsContact O-N 3.09Å; P745-R748 HydrophobicContact CB-CG 4.43Å; P745-R748 WeakPolarHBondContact O-CB 3.15Å; P745-R748 PolarHBondContact O-N 2.95Å
746	F	49.3	Very low	50.2	Low	11 Å²	11	57 Å²	57	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-58.2	-24.3	179.3	-162.7	-124.9	0	0	0	112.3	I707 F733 I736 Q744 R748 I749 V750	I707-F746 HydrophobicContact CB-CE1 4.26Å; I707-F746 HydrophobicContact CB-CE2 3.7Å; I707-F746 HydrophobicContact CB-CZ 3.41Å; I707-F746 VanDerWaalsContact CB-CZ 3.41Å; I707-F746 HydrophobicContact CD1-CE1 3.42Å; I707-F746 VanDerWaalsContact CD1-CE1 3.42Å; I707-F746 HydrophobicContact CD1-CE2 4.44Å; I707-F746 HydrophobicContact CD1-CZ 3.36Å; I707-F746 HydrophobicContact CG1-CE1 4.41Å; I707-F746 HydrophobicContact CG1-CZ 3.9Å; I707-F746 HydrophobicContact CG2-CD2 4.25Å; I707-F746 HydrophobicContact CG2-CE1 4.12Å; I707-F746 HydrophobicContact CG2-CE2 3.57Å; I707-F746 HydrophobicContact CG2-CZ 3.54Å; F733-F746 AromaticContact CD2-CD1 3.85Å; F733-F746 HydrophobicContact CD2-CD1 3.85Å; F733-F746 AromaticContact CD2-CE1 3.98Å; F733-F746 HydrophobicContact CD2-CE1 3.98Å; F733-F746 AromaticContact CE2-CD1 3.7Å; F733-F746 HydrophobicContact CE2-CD1 3.7Å; F733-F746 HydrophobicContact CE2-CE1 4.21Å; I736-F746 HydrophobicContact CB-CD1 3.74Å; I736-F746 HydrophobicContact CB-CE1 3.89Å; I736-F746 HydrophobicContact CB-CG 4.33Å; I736-F746 HydrophobicContact CD1-CE1 4.12Å; I736-F746 HydrophobicContact CD1-CZ 4.38Å; I736-F746 HydrophobicContact CG2-CB 3.7Å; I736-F746 HydrophobicContact CG2-CD1 3.35Å; I736-F746 HydrophobicContact CG2-CD2 3.9Å; I736-F746 HydrophobicContact CG2-CE1 3.59Å; I736-F746 HydrophobicContact CG2-CE2 4.12Å; I736-F746 HydrophobicContact CG2-CG 3.48Å; I736-F746 VanDerWaalsContact CG2-CG 3.48Å; I736-F746 HydrophobicContact CG2-CZ 3.92Å; I736-F746 WeakPolarHBondContact O-CB 3.3Å; Q744-F746 PolarHBondContact O-N 3.43Å; F746-R748 VanDerWaalsContact C-N 3.3Å; F746-R748 PolarHBondContact O-N 2.94Å; F746-I749 PolarHBondContact O-N 3.4Å; F746-V750 PolarHBondContact O-N 3.35Å
747	A	49.5	Very low	49.9	Very low	10 Å²	10	57.4 Å²	57.4	8%	0.083	29%	0.29	C	S	.	.	H	α-helix	trans	-52	-42.1	166.8	0	0	0	0	0	112.8	A737 P745 I749 V750 L751 I778	A737-A747 HydrophobicContact CB-CB 4.17Å; P745-A747 PolarHBondContact O-N 3.04Å; P745-A747 VanDerWaalsContact O-N 3.09Å; A747-I749 PolarHBondContact O-N 2.95Å; A747-V750 PolarHBondContact O-N 3.42Å; A747-L751 HydrophobicContact CB-CD1 4.49Å; A747-L751 WeakPolarHBondContact O-CB 3.38Å; A747-L751 WeakPolarHBondContact O-CD1 3.44Å; A747-L751 WeakPolarHBondContact O-CG 3.5Å; A747-L751 PolarHBondContact O-N 3.11Å; A747-I778 HydrophobicContact CB-CD1 4.39Å
748	R	49.6	Very low	49.5	Very low	87 Å²	87	58.5 Å²	58.5	33%	0.328	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-48.2	177.9	-63.2	-177.3	-172.3	143.7	7.1	111.5	E743 P745 F746 L751 A752 E784	E743-R748 PolarHBondContact O-NH1 3.33Å; P745-R748 HydrophobicContact CB-CG 4.43Å; P745-R748 WeakPolarHBondContact O-CB 3.15Å; P745-R748 PolarHBondContact O-N 2.95Å; F746-R748 VanDerWaalsContact C-N 3.3Å; F746-R748 PolarHBondContact O-N 2.94Å; R748-L751 PolarHBondContact O-N 2.75Å; R748-A752 WeakPolarHBondContact O-CB 3.42Å; R748-A752 PolarHBondContact O-N 3.36Å; R748-E784 VanDerWaalsContact CZ-CD 3.48Å; R748-E784 IonicContact CZ-OE1 3.96Å; R748-E784 IonicContact CZ-OE2 3.21Å; R748-E784 IonicContact NE-OE1 3.26Å; R748-E784 PolarHBondContact NE-OE1 3.1Å; R748-E784 IonicContact NE-OE2 2.83Å; R748-E784 PolarHBondContact NE-OE2 3.05Å; R748-E784 IonicContact NH2-OE1 2.68Å; R748-E784 PolarHBondContact NH2-OE1 3.12Å; R748-E784 IonicContact NH2-OE2 2.7Å
749	I	51	Low	49.1	Very low	41 Å²	41	62 Å²	62	21%	0.21	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-47.5	-179	-67.2	171.2	0	0	0	110	I707 A711 F746 A747 A752 L753	I707-I749 HydrophobicContact CG2-CG2 4.49Å; A711-I749 HydrophobicContact CB-CG2 3.42Å; A711-I749 VanDerWaalsContact CB-CG2 3.42Å; F746-I749 PolarHBondContact O-N 3.4Å; A747-I749 PolarHBondContact O-N 2.95Å; I749-A752 PolarHBondContact O-N 3.14Å; I749-L753 HydrophobicContact CG2-CD1 3.94Å; I749-L753 WeakPolarHBondContact O-CG 3.48Å; I749-L753 PolarHBondContact O-N 3.26Å
750	V	51	Low	48.6	Very low	2 Å²	2	62.1 Å²	62.1	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-72.3	-33.9	-179.2	159.9	0	0	0	0	113	I707 L726 F733 F746 A747 L753 L754	I707-V750 HydrophobicContact CG2-CG2 4.09Å; L726-V750 HydrophobicContact CD1-CB 4.48Å; L726-V750 HydrophobicContact CD1-CG1 3.47Å; L726-V750 VanDerWaalsContact CD1-CG1 3.47Å; L726-V750 HydrophobicContact CD1-CG2 4.25Å; L726-V750 HydrophobicContact CD2-CG1 3.77Å; L726-V750 HydrophobicContact CD2-CG2 4.03Å; L726-V750 HydrophobicContact CG-CG1 4.27Å; F733-V750 HydrophobicContact CE1-CG1 4.25Å; F733-V750 HydrophobicContact CE2-CB 3.82Å; F733-V750 HydrophobicContact CE2-CG1 3.87Å; F733-V750 HydrophobicContact CE2-CG2 3.65Å; F733-V750 HydrophobicContact CZ-CB 3.78Å; F733-V750 HydrophobicContact CZ-CG1 3.46Å; F733-V750 VanDerWaalsContact CZ-CG1 3.46Å; F733-V750 HydrophobicContact CZ-CG2 4.13Å; F746-V750 PolarHBondContact O-N 3.35Å; A747-V750 PolarHBondContact O-N 3.42Å; V750-L753 PolarHBondContact O-N 3.01Å; V750-L754 HydrophobicContact CG1-CD1 3.95Å; V750-L754 HydrophobicContact CG1-CG 4.45Å; V750-L754 WeakPolarHBondContact O-CB 3.29Å; V750-L754 VanDerWaalsContact O-CG 3.32Å; V750-L754 WeakPolarHBondContact O-CG 3.49Å; V750-L754 PolarHBondContact O-N 3.28Å
751	L	51.5	Low	48.3	Very low	35 Å²	35	56.4 Å²	56.4	18%	0.183	28%	0.276	C	S	.	.	H	α-helix	trans	-66.5	-41.4	171.4	-73.3	167.5	0	0	0	110.9	A747 R748 L754 V755 I770 V780	A747-L751 HydrophobicContact CB-CD1 4.49Å; A747-L751 WeakPolarHBondContact O-CB 3.38Å; A747-L751 WeakPolarHBondContact O-CD1 3.44Å; A747-L751 WeakPolarHBondContact O-CG 3.5Å; A747-L751 PolarHBondContact O-N 3.11Å; R748-L751 PolarHBondContact O-N 2.75Å; L751-L754 HydrophobicContact CD2-CD1 4.4Å; L751-L754 PolarHBondContact O-N 3.35Å; L751-V755 WeakPolarHBondContact O-CB 3.43Å; L751-V755 VanDerWaalsContact O-CG2 3.26Å; L751-V755 WeakPolarHBondContact O-CG2 3.41Å; L751-V755 PolarHBondContact O-N 3.31Å; L751-I770 HydrophobicContact CD2-CD1 3.81Å; L751-I770 HydrophobicContact CD2-CG1 3.66Å; L751-I770 HydrophobicContact CD2-CG2 4.27Å; L751-V780 HydrophobicContact CD1-CG2 4.43Å
752	A	50.4	Low	47.8	Very low	23 Å²	23	49.9 Å²	49.9	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-62.8	-41.7	173.8	0	0	0	0	0	112	R748 I749 V755 K756	R748-A752 WeakPolarHBondContact O-CB 3.42Å; R748-A752 PolarHBondContact O-N 3.36Å; I749-A752 PolarHBondContact O-N 3.14Å; A752-V755 PolarHBondContact O-N 3.41Å; A752-K756 WeakPolarHBondContact O-CG 3.48Å; A752-K756 PolarHBondContact O-N 2.91Å
753	L	51.4	Low	47.6	Very low	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-50.1	173.2	-73.9	162	0	0	0	111.5	A711 E718 V719 A722 I749 V750 V755 K756 S757	A711-L753 HydrophobicContact CB-CD1 4.28Å; E718-L753 HydrophobicContact CB-CD2 4.06Å; E718-L753 HydrophobicContact CG-CD2 4.48Å; E718-L753 WeakPolarHBondContact OE2-CD2 3.42Å; V719-L753 HydrophobicContact CG1-CB 4.45Å; V719-L753 WeakPolarHBondContact CG1-O 3.41Å; V719-L753 HydrophobicContact CG2-CD2 4.32Å; V719-L753 WeakPolarHBondContact CG2-O 3.47Å; A722-L753 HydrophobicContact CB-CB 4.46Å; A722-L753 HydrophobicContact CB-CD1 3.93Å; I749-L753 HydrophobicContact CG2-CD1 3.94Å; I749-L753 WeakPolarHBondContact O-CG 3.48Å; I749-L753 PolarHBondContact O-N 3.26Å; V750-L753 PolarHBondContact O-N 3.01Å; L753-V755 VanDerWaalsContact C-N 3.33Å; L753-V755 PolarHBondContact O-N 3.32Å; L753-K756 HydrophobicContact CD2-CD 4.48Å; L753-K756 WeakPolarHBondContact O-CB 3.41Å; L753-K756 PolarHBondContact O-N 2.82Å; L753-K756 VanDerWaalsContact O-N 3.12Å; L753-S757 PolarHBondContact O-N 3.03Å
754	L	49.2	Very low	47.9	Very low	4 Å²	4	46 Å²	46	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-51.8	-51.2	173.3	-81.8	162.9	0	0	0	111	M723 V750 L751 K756 S757 M766 L769 I770	M723-L754 HydrophobicContact CE-CD2 4.49Å; M723-L754 HydrophobicContact SD-CD2 3.47Å; M723-L754 WeakPolarHBondContact SD-CD2 3.29Å; M723-L754 HydrophobicContact SD-CG 4.44Å; V750-L754 HydrophobicContact CG1-CD1 3.95Å; V750-L754 HydrophobicContact CG1-CG 4.45Å; V750-L754 WeakPolarHBondContact O-CB 3.29Å; V750-L754 VanDerWaalsContact O-CG 3.32Å; V750-L754 WeakPolarHBondContact O-CG 3.49Å; V750-L754 PolarHBondContact O-N 3.28Å; L751-L754 HydrophobicContact CD2-CD1 4.4Å; L751-L754 PolarHBondContact O-N 3.35Å; L754-K756 VanDerWaalsContact C-N 3.3Å; L754-K756 PolarHBondContact O-N 2.91Å; L754-S757 PolarHBondContact O-N 3.44Å; L754-S757 PolarHBondContact O-OG 3.38Å; L754-M766 HydrophobicContact CB-CG 4.46Å; L754-M766 HydrophobicContact CB-SD 4.32Å; L754-M766 WeakPolarHBondContact O-CE 3.45Å; L754-L769 HydrophobicContact CD2-CD1 4.26Å; L754-I770 HydrophobicContact CD1-CG1 4.31Å
755	V	49.4	Very low	47.8	Very low	14 Å²	14	40.5 Å²	40.5	9%	0.085	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-30.9	-178.8	174.9	0	0	0	0	112	L751 A752 L753 S757 T758 M766 M823	L751-V755 WeakPolarHBondContact O-CB 3.43Å; L751-V755 VanDerWaalsContact O-CG2 3.26Å; L751-V755 WeakPolarHBondContact O-CG2 3.41Å; L751-V755 PolarHBondContact O-N 3.31Å; A752-V755 PolarHBondContact O-N 3.41Å; L753-V755 VanDerWaalsContact C-N 3.33Å; L753-V755 PolarHBondContact O-N 3.32Å; V755-S757 PolarHBondContact O-N 3.3Å; V755-T758 WeakPolarHBondContact O-CG2 3.2Å; V755-T758 PolarHBondContact O-N 2.97Å; V755-T758 PolarHBondContact O-OG1 3.14Å; V755-M766 HydrophobicContact CG2-SD 4.29Å; V755-M823 HydrophobicContact CB-CE 4.3Å; V755-M823 HydrophobicContact CG1-CB 3.91Å; V755-M823 HydrophobicContact CG1-CE 3.9Å; V755-M823 HydrophobicContact CG1-CG 3.93Å
756	K	46.8	Very low	47.7	Very low	85 Å²	85	39.6 Å²	39.6	37%	0.37	21%	0.213	S	C	.	.	H	α-helix	trans	-59.3	-28.4	168.9	-75.8	177.2	180	-173.7	0	112.8	E718 V719 A752 L753 L754 M823	E718-K756 IonicContact OE1-NZ 2.92Å; E718-K756 PolarHBondContact OE1-NZ 3.29Å; E718-K756 VanDerWaalsContact OE2-CD 3.24Å; E718-K756 WeakPolarHBondContact OE2-CD 3.37Å; E718-K756 WeakPolarHBondContact OE2-CE 3.46Å; E718-K756 IonicContact OE2-NZ 3.67Å; E718-K756 PolarHBondContact OE2-NZ 3Å; V719-K756 HydrophobicContact CG2-CB 3.87Å; A752-K756 WeakPolarHBondContact O-CG 3.48Å; A752-K756 PolarHBondContact O-N 2.91Å; L753-K756 HydrophobicContact CD2-CD 4.48Å; L753-K756 WeakPolarHBondContact O-CB 3.41Å; L753-K756 PolarHBondContact O-N 2.82Å; L753-K756 VanDerWaalsContact O-N 3.12Å; L754-K756 VanDerWaalsContact C-N 3.3Å; L754-K756 PolarHBondContact O-N 2.91Å; K756-M823 HydrophobicContact CB-CE 4.34Å; K756-M823 HydrophobicContact CB-SD 4.34Å; K756-M823 HydrophobicContact CG-CE 3.63Å; K756-M823 HydrophobicContact CG-SD 3.83Å
757	S	47.7	Very low	47.8	Very low	14 Å²	14	43.4 Å²	43.4	10%	0.098	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	12.4	-179.3	72.9	0	0	0	0	116.1	V719 L753 L754 V755 K759 A760 V761	V719-S757 VanDerWaalsContact CG1-CB 3.44Å; V719-S757 WeakPolarHBondContact CG1-OG 3.38Å; L753-S757 PolarHBondContact O-N 3.03Å; L754-S757 PolarHBondContact O-N 3.44Å; L754-S757 PolarHBondContact O-OG 3.38Å; V755-S757 PolarHBondContact O-N 3.3Å; S757-K759 PolarHBondContact O-N 2.97Å; S757-A760 PolarHBondContact O-N 3.16Å; S757-V761 PolarHBondContact O-N 2.87Å
758	T	42.8	Very low	47.8	Very low	32 Å²	32	51.4 Å²	51.4	20%	0.196	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-20.8	178	36.7	0	0	0	0	115.8	V755 M766	V755-T758 WeakPolarHBondContact O-CG2 3.2Å; V755-T758 PolarHBondContact O-N 2.97Å; V755-T758 PolarHBondContact O-OG1 3.14Å; T758-M766 HydrophobicContact CG2-CE 3.63Å; T758-M766 HydrophobicContact CG2-SD 3.79Å
759	K	40.7	Very low	47.9	Very low	131 Å²	131	47.8 Å²	47.8	57%	0.57	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-16.6	174	-64.3	-163	177.2	-172.4	0	115.3	S757 R819	S757-K759 PolarHBondContact O-N 2.97Å; K759-R819 HydrophobicContact CD-CG 4.11Å
760	A	44.2	Very low	47.8	Very low	47 Å²	47	48.5 Å²	48.5	39%	0.388	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-37.7	178.4	0	0	0	0	0	111.9	S757	S757-A760 PolarHBondContact O-N 3.16Å
761	V	42.2	Very low	47.8	Very low	15 Å²	15	55.3 Å²	55.3	9%	0.091	28%	0.28	C	S	.	.	S	Bend	trans	-99.9	114.6	178.5	-177.3	0	0	0	0	109.4	S757 V765 M766 L769	S757-V761 PolarHBondContact O-N 2.87Å; V761-V765 HydrophobicContact CG1-CB 3.91Å; V761-V765 HydrophobicContact CG1-CG1 3.92Å; V761-M766 HydrophobicContact CB-CE 4Å; V761-M766 HydrophobicContact CG1-CB 4.19Å; V761-M766 HydrophobicContact CG1-CE 4.27Å; V761-L769 HydrophobicContact CG1-CD1 4.02Å
762	P	43.9	Very low	47.6	Very low	54 Å²	54	59 Å²	59	35%	0.351	29%	0.294	S	S	.	.			trans	-58	143.9	177.4	-23.1	32.7	0	0	0	111.7	S764 V765 M766	P762-S764 VanDerWaalsContact C-N 3.3Å; P762-S764 PolarHBondContact O-N 3.4Å; P762-V765 HydrophobicContact CB-CG2 4.14Å; P762-V765 HydrophobicContact CG-CG2 4.19Å; P762-V765 WeakPolarHBondContact O-CA 3.36Å; P762-V765 WeakPolarHBondContact O-CB 3.28Å; P762-V765 PolarHBondContact O-N 3.45Å; P762-M766 PolarHBondContact O-N 3.22Å
763	Q	47.6	Very low	47.4	Very low	122 Å²	122	58.3 Å²	58.3	57%	0.57	29%	0.287	S	S	*	.	H	α-helix	trans	-50.1	-46.8	-175.9	179.8	-179.2	-20.6	0	0	113	V765 M766 E767	Q763-V765 PolarHBondContact O-N 2.91Å; Q763-M766 CarbonylContact O-C 3.6Å; Q763-M766 WeakPolarHBondContact O-CA 3.25Å; Q763-M766 WeakPolarHBondContact O-CB 3.43Å; Q763-M766 PolarHBondContact O-N 3Å; Q763-E767 HydrophobicContact CG-CG 4.3Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.3Å; Q763-E767 PolarHBondContact NE2-OE1 3.4Å; Q763-E767 WeakPolarHBondContact O-CG 3.33Å; Q763-E767 PolarHBondContact O-N 3.35Å
764	S	47	Very low	47	Very low	71 Å²	71	58.7 Å²	58.7	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-18	178.7	59.8	0	0	0	0	114.5	P762 R768	P762-S764 VanDerWaalsContact C-N 3.3Å; P762-S764 PolarHBondContact O-N 3.4Å; S764-R768 WeakPolarHBondContact O-CB 3.15Å; S764-R768 VanDerWaalsContact O-CD 3.3Å; S764-R768 WeakPolarHBondContact O-CD 3.37Å; S764-R768 WeakPolarHBondContact O-CG 3.38Å; S764-R768 PolarHBondContact O-N 2.8Å
765	V	46.6	Very low	46.5	Very low	19 Å²	19	60.6 Å²	60.6	12%	0.115	31%	0.311	C	S	.	.	H	α-helix	trans	-81.7	-41.8	167.5	-176.2	0	0	0	0	109.9	A624 V761 P762 Q763 R768 L769	A624-V765 HydrophobicContact CB-CG1 3.84Å; A624-V765 HydrophobicContact CB-CG2 4.29Å; A624-V765 VanDerWaalsContact O-CG2 3.27Å; A624-V765 WeakPolarHBondContact O-CG2 3.23Å; V761-V765 HydrophobicContact CG1-CB 3.91Å; V761-V765 HydrophobicContact CG1-CG1 3.92Å; P762-V765 HydrophobicContact CB-CG2 4.14Å; P762-V765 HydrophobicContact CG-CG2 4.19Å; P762-V765 WeakPolarHBondContact O-CA 3.36Å; P762-V765 WeakPolarHBondContact O-CB 3.28Å; P762-V765 PolarHBondContact O-N 3.45Å; Q763-V765 PolarHBondContact O-N 2.91Å; V765-R768 CarbonylContact O-C 3.54Å; V765-R768 PolarHBondContact O-N 2.92Å; V765-L769 HydrophobicContact CG1-CD1 3.9Å; V765-L769 HydrophobicContact CG1-CG 4.21Å; V765-L769 WeakPolarHBondContact O-CB 3.3Å; V765-L769 VanDerWaalsContact O-CG 3.23Å; V765-L769 WeakPolarHBondContact O-CG 3.5Å; V765-L769 PolarHBondContact O-N 2.82Å
766	M	50.4	Low	46.1	Very low	10 Å²	10	66.7 Å²	66.7	5%	0.049	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-46.9	176.7	-165.5	169.3	-62.9	0	0	111.7	L754 V755 T758 V761 P762 Q763 R768 L769 I770	L754-M766 HydrophobicContact CB-CG 4.46Å; L754-M766 HydrophobicContact CB-SD 4.32Å; L754-M766 WeakPolarHBondContact O-CE 3.45Å; V755-M766 HydrophobicContact CG2-SD 4.29Å; T758-M766 HydrophobicContact CG2-CE 3.63Å; T758-M766 HydrophobicContact CG2-SD 3.79Å; V761-M766 HydrophobicContact CB-CE 4Å; V761-M766 HydrophobicContact CG1-CB 4.19Å; V761-M766 HydrophobicContact CG1-CE 4.27Å; P762-M766 PolarHBondContact O-N 3.22Å; Q763-M766 CarbonylContact O-C 3.6Å; Q763-M766 WeakPolarHBondContact O-CA 3.25Å; Q763-M766 WeakPolarHBondContact O-CB 3.43Å; Q763-M766 PolarHBondContact O-N 3Å; M766-R768 VanDerWaalsContact C-N 3.34Å; M766-R768 PolarHBondContact O-N 2.92Å; M766-L769 WeakPolarHBondContact O-CB 3.39Å; M766-L769 PolarHBondContact O-N 3.13Å; M766-L769 VanDerWaalsContact O-N 3.15Å; M766-I770 HydrophobicContact CG-CD1 4.04Å; M766-I770 WeakPolarHBondContact O-CB 3.49Å; M766-I770 VanDerWaalsContact O-CG1 3.23Å; M766-I770 WeakPolarHBondContact O-CG1 3.27Å; M766-I770 PolarHBondContact O-N 3.43Å
767	E	50.2	Low	45.9	Very low	91 Å²	91	71.9 Å²	71.9	43%	0.425	36%	0.361	S	S	.	.	H	α-helix	trans	-57.2	-44.6	172.4	-69.9	164.9	173.2	0	0	111.6	Q763 I770 F771	Q763-E767 HydrophobicContact CG-CG 4.3Å; Q763-E767 WeakPolarHBondContact CG-OE1 3.3Å; Q763-E767 PolarHBondContact NE2-OE1 3.4Å; Q763-E767 WeakPolarHBondContact O-CG 3.33Å; Q763-E767 PolarHBondContact O-N 3.35Å; E767-I770 PolarHBondContact O-N 2.93Å; E767-F771 WeakPolarHBondContact O-CB 3.43Å; E767-F771 PolarHBondContact O-N 3.3Å
768	R	51.1	Low	45.5	Very low	178 Å²	178	74.6 Å²	74.6	67%	0.672	37%	0.373	S	S	*	.	H	α-helix	trans	-65.6	-35.8	175.1	-79.2	174.6	176	-166.9	-1.6	113.1	S764 V765 M766 K772	S764-R768 WeakPolarHBondContact O-CB 3.15Å; S764-R768 VanDerWaalsContact O-CD 3.3Å; S764-R768 WeakPolarHBondContact O-CD 3.37Å; S764-R768 WeakPolarHBondContact O-CG 3.38Å; S764-R768 PolarHBondContact O-N 2.8Å; V765-R768 CarbonylContact O-C 3.54Å; V765-R768 PolarHBondContact O-N 2.92Å; M766-R768 VanDerWaalsContact C-N 3.34Å; M766-R768 PolarHBondContact O-N 2.92Å; R768-K772 WeakPolarHBondContact O-CB 3.33Å; R768-K772 PolarHBondContact O-N 2.82Å
769	L	50.4	Low	45.3	Very low	11 Å²	11	81.3 Å²	81.3	6%	0.058	40%	0.403	C	S	.	.	H	α-helix	trans	-68.4	-48.7	175.8	-73.5	164	0	0	0	110.2	F629 M723 L754 V761 V765 M766 K772 F773	F629-L769 HydrophobicContact CZ-CD2 4Å; M723-L769 HydrophobicContact CE-CD1 3.51Å; M723-L769 HydrophobicContact CE-CD2 4.07Å; M723-L769 HydrophobicContact CE-CG 4.44Å; M723-L769 HydrophobicContact SD-CD1 4.4Å; L754-L769 HydrophobicContact CD2-CD1 4.26Å; V761-L769 HydrophobicContact CG1-CD1 4.02Å; V765-L769 HydrophobicContact CG1-CD1 3.9Å; V765-L769 HydrophobicContact CG1-CG 4.21Å; V765-L769 WeakPolarHBondContact O-CB 3.3Å; V765-L769 VanDerWaalsContact O-CG 3.23Å; V765-L769 WeakPolarHBondContact O-CG 3.5Å; V765-L769 PolarHBondContact O-N 2.82Å; M766-L769 WeakPolarHBondContact O-CB 3.39Å; M766-L769 PolarHBondContact O-N 3.13Å; M766-L769 VanDerWaalsContact O-N 3.15Å; L769-K772 PolarHBondContact O-N 3.02Å; L769-F773 HydrophobicContact CB-CD2 4.08Å; L769-F773 HydrophobicContact CB-CE2 3.92Å; L769-F773 HydrophobicContact CD2-CD2 4.47Å; L769-F773 HydrophobicContact CD2-CE2 3.64Å; L769-F773 HydrophobicContact CD2-CZ 3.93Å; L769-F773 HydrophobicContact CG-CE2 4.33Å; L769-F773 WeakPolarHBondContact O-CB 3.27Å; L769-F773 WeakPolarHBondContact O-CD2 3.46Å; L769-F773 WeakPolarHBondContact O-CG 3.25Å; L769-F773 PolarHBondContact O-N 2.85Å
770	I	50.4	Low	45.4	Very low	56 Å²	56	77.6 Å²	77.6	29%	0.287	39%	0.39	S	S	.	.	H	α-helix	trans	-55.9	-54.9	175.4	-67.1	168.5	0	0	0	109.6	L751 L754 M766 E767 K772 F773 C774	L751-I770 HydrophobicContact CD2-CD1 3.81Å; L751-I770 HydrophobicContact CD2-CG1 3.66Å; L751-I770 HydrophobicContact CD2-CG2 4.27Å; L754-I770 HydrophobicContact CD1-CG1 4.31Å; M766-I770 HydrophobicContact CG-CD1 4.04Å; M766-I770 WeakPolarHBondContact O-CB 3.49Å; M766-I770 VanDerWaalsContact O-CG1 3.23Å; M766-I770 WeakPolarHBondContact O-CG1 3.27Å; M766-I770 PolarHBondContact O-N 3.43Å; E767-I770 PolarHBondContact O-N 2.93Å; I770-K772 VanDerWaalsContact C-N 3.33Å; I770-K772 PolarHBondContact O-N 3.06Å; I770-F773 PolarHBondContact O-N 3.38Å; I770-C774 VanDerWaalsContact O-CB 3.23Å; I770-C774 WeakPolarHBondContact O-CB 3.47Å; I770-C774 PolarHBondContact O-N 3.03Å; I770-C774 PolarHBondContact O-SG 3.07Å
771	F	50.4	Low	45.7	Very low	145 Å²	145	78.6 Å²	78.6	64%	0.636	39%	0.393	S	S	*	.	H	α-helix	trans	-57.5	-42.3	178.3	-175	-97.3	0	0	0	112.6	E767 G775	E767-F771 WeakPolarHBondContact O-CB 3.43Å; E767-F771 PolarHBondContact O-N 3.3Å; F771-G775 VanDerWaalsContact O-CA 3.3Å; F771-G775 WeakPolarHBondContact O-CA 3.38Å; F771-G775 PolarHBondContact O-N 3.37Å
772	K	46.6	Very low	46.4	Very low	113 Å²	113	81.6 Å²	81.6	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-78	-34.4	-176.3	-174.4	176.2	-177.8	-178.1	0	114.2	F629 R768 L769 I770	F629-K772 HydrophobicContact CE2-CD 4.38Å; F629-K772 VanDerWaalsContact CE2-NZ 3.26Å; F629-K772 VanDerWaalsContact CG-NZ 3.33Å; F629-K772 HydrophobicContact CZ-CD 4.32Å; R768-K772 WeakPolarHBondContact O-CB 3.33Å; R768-K772 PolarHBondContact O-N 2.82Å; L769-K772 PolarHBondContact O-N 3.02Å; I770-K772 VanDerWaalsContact C-N 3.33Å; I770-K772 PolarHBondContact O-N 3.06Å
773	F	45.8	Very low	47.1	Very low	9 Å²	9	84.2 Å²	84.2	4%	0.039	42%	0.418	C	S	.	.	H	α-helix	trans	-77.4	-40.5	176.7	-70.2	-50.9	0	0	0	111.7	L726 P730 F733 L769 I770	L726-F773 HydrophobicContact CB-CE1 4.4Å; L726-F773 HydrophobicContact CB-CE2 4.26Å; L726-F773 HydrophobicContact CB-CZ 3.84Å; L726-F773 WeakPolarHBondContact O-CE1 3.23Å; P730-F773 HydrophobicContact CB-CD1 4.31Å; P730-F773 HydrophobicContact CB-CE1 4.26Å; F733-F773 HydrophobicContact CD1-CB 3.99Å; F733-F773 HydrophobicContact CD1-CD1 4.15Å; F733-F773 HydrophobicContact CD1-CG 4.1Å; F733-F773 HydrophobicContact CE1-CB 3.82Å; F733-F773 HydrophobicContact CE1-CG 4.16Å; L769-F773 HydrophobicContact CB-CD2 4.08Å; L769-F773 HydrophobicContact CB-CE2 3.92Å; L769-F773 HydrophobicContact CD2-CD2 4.47Å; L769-F773 HydrophobicContact CD2-CE2 3.64Å; L769-F773 HydrophobicContact CD2-CZ 3.93Å; L769-F773 HydrophobicContact CG-CE2 4.33Å; L769-F773 WeakPolarHBondContact O-CB 3.27Å; L769-F773 WeakPolarHBondContact O-CD2 3.46Å; L769-F773 WeakPolarHBondContact O-CG 3.25Å; L769-F773 PolarHBondContact O-N 2.85Å; I770-F773 PolarHBondContact O-N 3.38Å
774	C	42.8	Very low	47.4	Very low	12 Å²	12	80.1 Å²	80.1	8%	0.081	40%	0.399	C	S	.	.	H	α-helix	trans	-81.3	-35.9	-177.7	-51.2	0	0	0	0	111.5	K734 I770 E776 I778	K734-C774 WeakPolarHBondContact CE-O 3.16Å; K734-C774 PolarHBondContact NZ-O 3.42Å; I770-C774 VanDerWaalsContact O-CB 3.23Å; I770-C774 WeakPolarHBondContact O-CB 3.47Å; I770-C774 PolarHBondContact O-N 3.03Å; I770-C774 PolarHBondContact O-SG 3.07Å; C774-E776 PolarHBondContact O-N 3.5Å; C774-E776 VanDerWaalsContact O-N 3.12Å; C774-I778 HydrophobicContact CB-CD1 3.67Å; C774-I778 HydrophobicContact CB-CG1 3.71Å; C774-I778 WeakPolarHBondContact SG-CD1 3.31Å
775	G	39	Very low	47.9	Very low	44 Å²	44	78.5 Å²	78.5	45%	0.454	38%	0.382	S	S	.	.			trans	77.9	-19.8	175.9	0	0	0	0	0	115.3	F771	F771-G775 VanDerWaalsContact O-CA 3.3Å; F771-G775 WeakPolarHBondContact O-CA 3.38Å; F771-G775 PolarHBondContact O-N 3.37Å
776	E	41.5	Very low	48.5	Very low	142 Å²	142	80.2 Å²	80.2	66%	0.664	39%	0.389	S	S	*	.	S	Bend	trans	-129.9	166.3	175.4	-75.7	144.6	-136.8	0	0	108.7	C774 I778	C774-E776 PolarHBondContact O-N 3.5Å; C774-E776 VanDerWaalsContact O-N 3.12Å; E776-I778 PolarHBondContact O-N 3.41Å; E776-I778 VanDerWaalsContact O-N 3.09Å
777	K	42.1	Very low	49.2	Very low	194 Å²	194	84.4 Å²	84.4	84%	0.843	41%	0.408	S	S	*	.			trans	-63.7	111.1	166.2	-84	-173.3	173.2	-174	0	107.9	E779	K777-E779 PolarHBondContact O-N 3.22Å; K777-E779 VanDerWaalsContact O-N 3.09Å
778	I	39.2	Very low	49.6	Very low	71 Å²	71	82.6 Å²	82.6	36%	0.364	40%	0.401	S	S	.	.			trans	-72.2	103.5	161.2	-59.1	-170.4	0	0	0	106.8	A747 C774 E776 V780	A747-I778 HydrophobicContact CB-CD1 4.39Å; C774-I778 HydrophobicContact CB-CD1 3.67Å; C774-I778 HydrophobicContact CB-CG1 3.71Å; C774-I778 WeakPolarHBondContact SG-CD1 3.31Å; E776-I778 PolarHBondContact O-N 3.41Å; E776-I778 VanDerWaalsContact O-N 3.09Å; I778-V780 HydrophobicContact CB-CG2 4.44Å; I778-V780 HydrophobicContact CG2-CB 4.48Å; I778-V780 HydrophobicContact CG2-CG2 3.69Å; I778-V780 PolarHBondContact O-N 3.5Å
779	E	38.4	Very low	50.5	Low	173 Å²	173	74.1 Å²	74.1	81%	0.808	37%	0.369	S	S	*	.			trans	-64.4	90.8	152.7	-66.9	-178.7	171.5	0	0	106.5	K777 P781	K777-E779 PolarHBondContact O-N 3.22Å; K777-E779 VanDerWaalsContact O-N 3.09Å; E779-P781 VanDerWaalsContact O-CD 3.24Å; E779-P781 WeakPolarHBondContact O-CD 3.32Å
780	V	44.2	Very low	51.4	Low	52 Å²	52	75.5 Å²	75.5	32%	0.315	38%	0.378	S	S	.	.			trans	-64.3	118.7	173.6	176	0	0	0	0	105.6	L751 I778 M782 E784 Y785	L751-V780 HydrophobicContact CD1-CG2 4.43Å; I778-V780 HydrophobicContact CB-CG2 4.44Å; I778-V780 HydrophobicContact CG2-CB 4.48Å; I778-V780 HydrophobicContact CG2-CG2 3.69Å; I778-V780 PolarHBondContact O-N 3.5Å; V780-M782 PolarHBondContact O-N 2.69Å; V780-M782 VanDerWaalsContact O-N 3.12Å; V780-E784 HydrophobicContact CG1-CB 4.22Å; V780-Y785 HydrophobicContact CG1-CD2 4.42Å
781	P	51	Low	52.2	Low	68 Å²	68	77.7 Å²	77.7	44%	0.442	39%	0.39	S	S	.	.			trans	-54.5	124.4	-176.4	-28.8	36.5	0	0	0	110.6	E779 L783 E784 Y785	E779-P781 VanDerWaalsContact O-CD 3.24Å; E779-P781 WeakPolarHBondContact O-CD 3.32Å; P781-L783 PolarHBondContact O-N 3.06Å; P781-E784 HydrophobicContact CB-CG 4.13Å; P781-E784 WeakPolarHBondContact CG-OE1 3.46Å; P781-E784 WeakPolarHBondContact O-CB 3.46Å; P781-E784 PolarHBondContact O-N 2.82Å; P781-Y785 PolarHBondContact O-N 3.22Å
782	M	56.6	Low	53	Low	78 Å²	78	71.8 Å²	71.8	38%	0.384	37%	0.365	S	S	.	.	H	α-helix	trans	-41.1	-41.5	-173.3	173.8	-172.4	-117.6	0	0	113.7	V780 E784 Y785 Q786 E833 N835	V780-M782 PolarHBondContact O-N 2.69Å; V780-M782 VanDerWaalsContact O-N 3.12Å; M782-E784 VanDerWaalsContact C-N 3.32Å; M782-E784 PolarHBondContact O-N 3.4Å; M782-Y785 PolarHBondContact O-N 3.33Å; M782-Q786 WeakPolarHBondContact O-CB 3.15Å; M782-Q786 PolarHBondContact O-N 2.92Å; M782-E833 HydrophobicContact CE-CB 3.96Å; M782-E833 HydrophobicContact CE-CG 4.15Å; M782-E833 WeakPolarHBondContact CE-OE2 3.37Å; M782-N835 HydrophobicContact CE-CB 4.25Å; M782-N835 PolarHBondContact SD-ND2 3.06Å; M782-N835 VanDerWaalsContact SD-ND2 3.41Å
783	L	57.9	Low	54.5	Low	110 Å²	110	66.4 Å²	66.4	58%	0.576	34%	0.342	S	S	*	.	H	α-helix	trans	-56.7	-40.7	177.7	-174.3	69	0	0	0	113.4	P781 Q787	P781-L783 PolarHBondContact O-N 3.06Å; L783-Q787 WeakPolarHBondContact O-CB 3.36Å; L783-Q787 WeakPolarHBondContact O-CG 3.49Å; L783-Q787 PolarHBondContact O-N 3.12Å
784	E	53	Low	56	Low	36 Å²	36	69.4 Å²	69.4	17%	0.168	36%	0.358	C	S	.	.	H	α-helix	trans	-72.9	-38.3	-178.1	-54.4	175.7	-172.1	0	0	111.4	R748 V780 P781 M782 Q787 L788	R748-E784 VanDerWaalsContact CZ-CD 3.48Å; R748-E784 IonicContact CZ-OE1 3.96Å; R748-E784 IonicContact CZ-OE2 3.21Å; R748-E784 IonicContact NE-OE1 3.26Å; R748-E784 PolarHBondContact NE-OE1 3.1Å; R748-E784 IonicContact NE-OE2 2.83Å; R748-E784 PolarHBondContact NE-OE2 3.05Å; R748-E784 IonicContact NH2-OE1 2.68Å; R748-E784 PolarHBondContact NH2-OE1 3.12Å; R748-E784 IonicContact NH2-OE2 2.7Å; V780-E784 HydrophobicContact CG1-CB 4.22Å; P781-E784 HydrophobicContact CB-CG 4.13Å; P781-E784 WeakPolarHBondContact CG-OE1 3.46Å; P781-E784 WeakPolarHBondContact O-CB 3.46Å; P781-E784 PolarHBondContact O-N 2.82Å; M782-E784 VanDerWaalsContact C-N 3.32Å; M782-E784 PolarHBondContact O-N 3.4Å; E784-Q787 PolarHBondContact O-N 2.9Å; E784-L788 WeakPolarHBondContact O-CB 3.38Å; E784-L788 PolarHBondContact O-N 3.21Å
785	Y	57.6	Low	57.4	Low	36 Å²	36	70.9 Å²	70.9	14%	0.141	37%	0.368	C	S	.	.	H	α-helix	trans	-64.6	-46.3	176	-160.4	-82.1	0	0	0	110.6	V780 P781 M782 L788 F789 L827 L830 V836	V780-Y785 HydrophobicContact CG1-CD2 4.42Å; P781-Y785 PolarHBondContact O-N 3.22Å; M782-Y785 PolarHBondContact O-N 3.33Å; Y785-L788 PolarHBondContact O-N 3.24Å; Y785-F789 WeakPolarHBondContact O-CB 3.44Å; Y785-F789 PolarHBondContact O-N 3Å; Y785-L827 HydrophobicContact CE1-CB 4.18Å; Y785-L827 HydrophobicContact CE1-CD2 4.3Å; Y785-L827 VanDerWaalsContact CE1-O 3.29Å; Y785-L827 WeakPolarHBondContact CE1-O 3.39Å; Y785-L827 HydrophobicContact CE2-CD2 3.88Å; Y785-L827 VanDerWaalsContact OH-C 3.31Å; Y785-L827 VanDerWaalsContact OH-CA 3.26Å; Y785-L827 WeakPolarHBondContact OH-CA 3.29Å; Y785-L827 PolarHBondContact OH-O 3.34Å; Y785-L830 VanDerWaalsContact OH-CB 3.26Å; Y785-L830 WeakPolarHBondContact OH-CB 3.48Å; Y785-V836 HydrophobicContact CD1-CG2 3.79Å; Y785-V836 HydrophobicContact CE1-CG2 4.03Å
786	Q	61.1	Low	59.1	Low	56 Å²	56	68.8 Å²	68.8	26%	0.262	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-45	172.6	-174.4	178.3	-3.7	0	0	111.6	M782 F789 T790 N835	M782-Q786 WeakPolarHBondContact O-CB 3.15Å; M782-Q786 PolarHBondContact O-N 2.92Å; Q786-F789 PolarHBondContact O-N 3.39Å; Q786-T790 WeakPolarHBondContact O-CB 3.43Å; Q786-T790 PolarHBondContact O-N 3.21Å; Q786-T790 PolarHBondContact O-OG1 3.18Å; Q786-T790 VanDerWaalsContact O-OG1 3.06Å; Q786-N835 PolarHBondContact OE1-ND2 2.96Å
787	Q	63.6	Low	61.2	Low	98 Å²	98	62.9 Å²	62.9	46%	0.458	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-44.4	175.8	-79.1	172.1	5	0	0	112.6	L783 E784 F789 T790 N791	L783-Q787 WeakPolarHBondContact O-CB 3.36Å; L783-Q787 WeakPolarHBondContact O-CG 3.49Å; L783-Q787 PolarHBondContact O-N 3.12Å; E784-Q787 PolarHBondContact O-N 2.9Å; Q787-F789 VanDerWaalsContact C-N 3.34Å; Q787-T790 PolarHBondContact O-N 3.42Å; Q787-N791 VanDerWaalsContact O-CB 3.28Å; Q787-N791 WeakPolarHBondContact O-CB 3.21Å; Q787-N791 PolarHBondContact O-N 2.94Å; Q787-N791 PolarHBondContact O-ND2 2.92Å; Q787-N791 VanDerWaalsContact O-ND2 3.14Å
788	L	60.1	Low	62.9	Low	53 Å²	53	57.2 Å²	57.2	28%	0.277	30%	0.304	S	S	.	.	H	α-helix	trans	-63.3	-41.5	176.9	179.1	60.5	0	0	0	111.4	E784 Y785 L792 L827	E784-L788 WeakPolarHBondContact O-CB 3.38Å; E784-L788 PolarHBondContact O-N 3.21Å; Y785-L788 PolarHBondContact O-N 3.24Å; L788-L792 HydrophobicContact CD1-CD1 4.03Å; L788-L792 HydrophobicContact CD1-CG 4.26Å; L788-L792 HydrophobicContact CG-CD1 4.1Å; L788-L792 WeakPolarHBondContact O-CB 3.4Å; L788-L792 WeakPolarHBondContact O-CG 3.42Å; L788-L792 PolarHBondContact O-N 2.72Å; L788-L827 HydrophobicContact CD2-CD1 4.05Å; L788-L827 HydrophobicContact CD2-CD2 4.37Å; L788-L827 HydrophobicContact CG-CD1 4.03Å
789	F	68.3	Low	64.7	Low	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-51.6	175.7	-162.7	-80.2	0	0	0	111.3	Y785 Q786 Q787 N791 L792 S793 L824 L827 F828 V836 A839 V840	Y785-F789 WeakPolarHBondContact O-CB 3.44Å; Y785-F789 PolarHBondContact O-N 3Å; Q786-F789 PolarHBondContact O-N 3.39Å; Q787-F789 VanDerWaalsContact C-N 3.34Å; F789-N791 PolarHBondContact O-N 2.86Å; F789-L792 PolarHBondContact O-N 2.9Å; F789-S793 PolarHBondContact O-N 3.2Å; F789-S793 PolarHBondContact O-OG 3.46Å; F789-L824 HydrophobicContact CD1-CD2 3.98Å; F789-L824 HydrophobicContact CD2-CD2 3.78Å; F789-L824 HydrophobicContact CE1-CD2 3.97Å; F789-L824 HydrophobicContact CE2-CB 4.34Å; F789-L824 HydrophobicContact CE2-CD2 3.77Å; F789-L824 WeakPolarHBondContact CE2-O 3.45Å; F789-L824 HydrophobicContact CG-CD2 3.88Å; F789-L824 HydrophobicContact CZ-CB 4.47Å; F789-L824 HydrophobicContact CZ-CD2 3.86Å; F789-L824 WeakPolarHBondContact O-CD2 3.46Å; F789-L827 HydrophobicContact CD2-CB 3.87Å; F789-L827 HydrophobicContact CE2-CB 4.29Å; F789-F828 HydrophobicContact CE2-CB 4.12Å; F789-F828 HydrophobicContact CE2-CD2 4.07Å; F789-F828 HydrophobicContact CZ-CD2 4.01Å; F789-V836 HydrophobicContact CD1-CG1 4.44Å; F789-V836 HydrophobicContact CD2-CG1 3.67Å; F789-V836 HydrophobicContact CE1-CG1 4.49Å; F789-V836 HydrophobicContact CE2-CG1 3.73Å; F789-V836 HydrophobicContact CG-CG1 4.04Å; F789-V836 HydrophobicContact CZ-CG1 4.17Å; F789-A839 HydrophobicContact CD1-CB 3.71Å; F789-A839 HydrophobicContact CE1-CB 4.2Å; F789-V840 HydrophobicContact CE1-CG2 3.5Å; F789-V840 VanDerWaalsContact CE1-CG2 3.5Å; F789-V840 HydrophobicContact CZ-CG2 3.37Å
790	T	70.5	Confident	66.4	Low	39 Å²	39	47.9 Å²	47.9	24%	0.239	27%	0.265	C	S	.	.	H	α-helix	trans	-58.9	-49	177.6	-59.4	0	0	0	0	111.7	Q786 Q787 L792 S793 D794	Q786-T790 WeakPolarHBondContact O-CB 3.43Å; Q786-T790 PolarHBondContact O-N 3.21Å; Q786-T790 PolarHBondContact O-OG1 3.18Å; Q786-T790 VanDerWaalsContact O-OG1 3.06Å; Q787-T790 PolarHBondContact O-N 3.42Å; T790-L792 VanDerWaalsContact C-N 3.28Å; T790-L792 PolarHBondContact O-N 3.01Å; T790-S793 CarbonylContact O-C 3.56Å; T790-S793 WeakPolarHBondContact O-CA 3.26Å; T790-S793 WeakPolarHBondContact O-CB 3.44Å; T790-S793 PolarHBondContact O-N 2.74Å; T790-S793 VanDerWaalsContact O-N 3.08Å; T790-D794 VanDerWaalsContact O-CG 3.3Å; T790-D794 PolarHBondContact O-N 3.45Å
791	N	65.8	Low	68	Low	103 Å²	103	51.8 Å²	51.8	55%	0.551	28%	0.277	S	S	*	.	H	α-helix	trans	-59.9	-36.3	178.5	-72.1	-27	0	0	0	112.8	Q787 F789 C795	Q787-N791 VanDerWaalsContact O-CB 3.28Å; Q787-N791 WeakPolarHBondContact O-CB 3.21Å; Q787-N791 PolarHBondContact O-N 2.94Å; Q787-N791 PolarHBondContact O-ND2 2.92Å; Q787-N791 VanDerWaalsContact O-ND2 3.14Å; F789-N791 PolarHBondContact O-N 2.86Å; N791-C795 WeakPolarHBondContact O-CB 3.31Å; N791-C795 PolarHBondContact O-N 2.63Å
792	L	67.4	Low	69.4	Low	20 Å²	20	50 Å²	50	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-72.5	-38.5	174.8	-75.7	170.6	0	0	0	112.1	L788 F789 T790 L796 M823 L824 L827	L788-L792 HydrophobicContact CD1-CD1 4.03Å; L788-L792 HydrophobicContact CD1-CG 4.26Å; L788-L792 HydrophobicContact CG-CD1 4.1Å; L788-L792 WeakPolarHBondContact O-CB 3.4Å; L788-L792 WeakPolarHBondContact O-CG 3.42Å; L788-L792 PolarHBondContact O-N 2.72Å; F789-L792 PolarHBondContact O-N 2.9Å; T790-L792 VanDerWaalsContact C-N 3.28Å; T790-L792 PolarHBondContact O-N 3.01Å; L792-L796 VanDerWaalsContact O-CB 3.26Å; L792-L796 WeakPolarHBondContact O-CB 3.49Å; L792-L796 PolarHBondContact O-N 2.9Å; L792-M823 HydrophobicContact CD1-CB 4.3Å; L792-M823 HydrophobicContact CD1-CE 4.1Å; L792-M823 HydrophobicContact CD2-CE 4.22Å; L792-M823 HydrophobicContact CD2-SD 4.45Å; L792-L824 HydrophobicContact CB-CD1 4.43Å; L792-L824 HydrophobicContact CB-CD2 3.59Å; L792-L824 HydrophobicContact CB-CG 3.96Å; L792-L824 HydrophobicContact CD1-CD2 4.42Å; L792-L827 HydrophobicContact CD1-CD1 3.73Å
793	S	79.7	Confident	70.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-51.8	171.6	-73.1	0	0	0	0	111.8	F789 T790 C795 L796 L797 N843 F844	F789-S793 PolarHBondContact O-N 3.2Å; F789-S793 PolarHBondContact O-OG 3.46Å; T790-S793 CarbonylContact O-C 3.56Å; T790-S793 WeakPolarHBondContact O-CA 3.26Å; T790-S793 WeakPolarHBondContact O-CB 3.44Å; T790-S793 PolarHBondContact O-N 2.74Å; T790-S793 VanDerWaalsContact O-N 3.08Å; S793-C795 VanDerWaalsContact C-N 3.32Å; S793-C795 PolarHBondContact O-N 2.84Å; S793-L796 CarbonylContact O-C 3.43Å; S793-L796 WeakPolarHBondContact O-CA 3.42Å; S793-L796 WeakPolarHBondContact O-CB 3.36Å; S793-L796 PolarHBondContact O-N 3.21Å; S793-L797 WeakPolarHBondContact O-CG 3.46Å; S793-L797 PolarHBondContact O-N 2.79Å; S793-N843 WeakPolarHBondContact CB-ND2 3.42Å; S793-N843 PolarHBondContact OG-ND2 3.21Å; S793-F844 WeakPolarHBondContact OG-CE2 3.44Å; S793-F844 VanDerWaalsContact OG-CZ 3.3Å; S793-F844 WeakPolarHBondContact OG-CZ 3.41Å
794	D	76.5	Confident	71	Confident	72 Å²	72	43.6 Å²	43.6	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-61.2	-42.3	-179.5	-67.6	-20	0	0	0	111.1	T790 L796 L797 S798	T790-D794 VanDerWaalsContact O-CG 3.3Å; T790-D794 PolarHBondContact O-N 3.45Å; D794-L796 VanDerWaalsContact C-N 3.33Å; D794-L796 PolarHBondContact O-N 2.68Å; D794-L797 PolarHBondContact O-N 3.22Å; D794-S798 WeakPolarHBondContact O-CB 3.33Å; D794-S798 PolarHBondContact O-N 2.94Å; D794-S798 PolarHBondContact O-OG 3.43Å
795	C	71.1	Confident	71.6	Confident	43 Å²	43	42 Å²	42	29%	0.291	22%	0.224	S	C	.	.	H	α-helix	trans	-63.1	-39.8	174.2	-167.3	0	0	0	0	111.7	N791 S793 S798 S799 W817 K820	N791-C795 WeakPolarHBondContact O-CB 3.31Å; N791-C795 PolarHBondContact O-N 2.63Å; S793-C795 VanDerWaalsContact C-N 3.32Å; S793-C795 PolarHBondContact O-N 2.84Å; C795-S798 WeakPolarHBondContact CA-OG 3.46Å; C795-S798 PolarHBondContact O-OG 3.39Å; C795-S799 PolarHBondContact O-N 2.99Å; C795-S799 PolarHBondContact O-OG 3.28Å; C795-W817 VanDerWaalsContact O-CZ3 3.29Å; C795-W817 WeakPolarHBondContact O-CZ3 2.98Å; C795-K820 PolarHBondContact SG-NZ 3.02Å
796	L	76.7	Confident	71.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.2	-43.5	177.3	-179.2	59.3	0	0	0	112.2	L792 S793 D794 G800 L813 W817 L821 L824 F844 V870	L792-L796 VanDerWaalsContact O-CB 3.26Å; L792-L796 WeakPolarHBondContact O-CB 3.49Å; L792-L796 PolarHBondContact O-N 2.9Å; S793-L796 CarbonylContact O-C 3.43Å; S793-L796 WeakPolarHBondContact O-CA 3.42Å; S793-L796 WeakPolarHBondContact O-CB 3.36Å; S793-L796 PolarHBondContact O-N 3.21Å; D794-L796 VanDerWaalsContact C-N 3.33Å; D794-L796 PolarHBondContact O-N 2.68Å; L796-G800 WeakPolarHBondContact O-CA 3.23Å; L796-G800 PolarHBondContact O-N 2.77Å; L796-L813 HydrophobicContact CD1-CD1 3.74Å; L796-L813 HydrophobicContact CD1-CD2 4.15Å; L796-L813 HydrophobicContact CD2-CD1 4.36Å; L796-W817 HydrophobicContact CD1-CB 4.04Å; L796-W817 HydrophobicContact CD1-CE3 3.93Å; L796-L821 HydrophobicContact CD2-CB 4.11Å; L796-L821 HydrophobicContact CD2-CD1 4.12Å; L796-L824 HydrophobicContact CD2-CD1 3.85Å; L796-F844 HydrophobicContact CD2-CE1 4.36Å; L796-F844 HydrophobicContact CD2-CZ 4.2Å; L796-V870 HydrophobicContact CD1-CG1 4.1Å; L796-V870 HydrophobicContact CD2-CG1 4.36Å; L796-V870 HydrophobicContact CG-CG1 3.69Å
797	L	84.4	Confident	71.2	Confident	18 Å²	18	48.3 Å²	48.3	9%	0.094	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-51.9	177.2	-66.3	166.5	0	0	0	111.5	S793 D794 S799 N843 F844 R866 S867 V870 S871	S793-L797 WeakPolarHBondContact O-CG 3.46Å; S793-L797 PolarHBondContact O-N 2.79Å; D794-L797 PolarHBondContact O-N 3.22Å; L797-S799 VanDerWaalsContact C-N 3.31Å; L797-S799 PolarHBondContact O-N 3.07Å; L797-N843 HydrophobicContact CD1-CB 4.09Å; L797-N843 WeakPolarHBondContact CD1-O 3.2Å; L797-F844 HydrophobicContact CD1-CE1 4.36Å; L797-F844 HydrophobicContact CD2-CD1 3.86Å; L797-F844 HydrophobicContact CD2-CE1 3.84Å; L797-F844 HydrophobicContact CG-CD1 4.37Å; L797-F844 HydrophobicContact CG-CE1 3.96Å; L797-R866 PolarHBondContact O-NH1 2.99Å; L797-S867 WeakPolarHBondContact CD2-OG 3.46Å; L797-V870 HydrophobicContact CD2-CG1 4.31Å; L797-S871 VanDerWaalsContact CD2-OG 3.31Å; L797-S871 WeakPolarHBondContact CD2-OG 3.39Å
798	S	77.5	Confident	70.9	Confident	75 Å²	75	45.7 Å²	45.7	52%	0.524	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-34.3	-175.3	57.6	0	0	0	0	113.8	D794 C795 R866	D794-S798 WeakPolarHBondContact O-CB 3.33Å; D794-S798 PolarHBondContact O-N 2.94Å; D794-S798 PolarHBondContact O-OG 3.43Å; C795-S798 WeakPolarHBondContact CA-OG 3.46Å; C795-S798 PolarHBondContact O-OG 3.39Å; S798-R866 PolarHBondContact O-NH2 2.9Å
799	S	76.8	Confident	70.8	Confident	49 Å²	49	43.4 Å²	43.4	34%	0.343	25%	0.249	S	C	.	.	H	α-helix	trans	-140	4.3	-171.4	45.7	0	0	0	0	115.8	C795 L797 K801 W817	C795-S799 PolarHBondContact O-N 2.99Å; C795-S799 PolarHBondContact O-OG 3.28Å; L797-S799 VanDerWaalsContact C-N 3.31Å; L797-S799 PolarHBondContact O-N 3.07Å; S799-K801 PolarHBondContact O-N 3.46Å; S799-W817 WeakPolarHBondContact O-CZ2 3.46Å; S799-W817 PolarHBondContact O-NE1 3.46Å; S799-W817 WeakPolarHBondContact OG-CH2 3.27Å
800	G	74.4	Confident	70.7	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.26	C	S	.	.			trans	-55.3	120.8	172.3	0	0	0	0	0	113	L796 R866	L796-G800 WeakPolarHBondContact O-CA 3.23Å; L796-G800 PolarHBondContact O-N 2.77Å; G800-R866 VanDerWaalsContact O-CD 3.25Å; G800-R866 WeakPolarHBondContact O-CD 3.16Å; G800-R866 WeakPolarHBondContact O-CG 3.25Å; G800-R866 PolarHBondContact O-NH1 2.94Å
801	K	78.7	Confident	70.8	Confident	134 Å²	134	43.7 Å²	43.7	58%	0.583	25%	0.249	S	C	*	.			trans	-96.4	144	171	-67.4	-165.2	175.2	-167.6	0	110.8	S799 T814	S799-K801 PolarHBondContact O-N 3.46Å; K801-T814 HydrophobicContact CB-CG2 3.8Å; K801-T814 PolarHBondContact O-N 3.12Å
802	V	80.4	Confident	71.5	Confident	30 Å²	30	43 Å²	43	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.6	178.2	179.7	0	0	0	0	108.5	V811 R812 L813 L869 V870 I873	V802-V811 HydrophobicContact CG1-CG1 3.22Å; V802-R812 CarbonylContact C-O 3.58Å; V802-R812 WeakPolarHBondContact CA-O 3.31Å; V802-L813 HydrophobicContact CG2-CD2 4.43Å; V802-L869 HydrophobicContact CG2-CB 4.33Å; V802-V870 HydrophobicContact CG2-CG2 4.05Å; V802-I873 HydrophobicContact CG1-CD1 4.07Å; V802-I873 HydrophobicContact CG2-CD1 3.99Å
803	E	78.3	Confident	71.9	Confident	18 Å²	18	42.4 Å²	42.4	8%	0.084	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	149.1	170	58.5	-179.9	-110.6	0	0	110.1	R511 R812 T814	R511-E803 IonicContact NH1-OE1 2.71Å; R511-E803 PolarHBondContact NH1-OE1 2.7Å; R511-E803 IonicContact NH1-OE2 3.57Å; E803-R812 HydrophobicContact CG-CG 3.65Å; E803-R812 PolarHBondContact N-O 2.86Å; E803-R812 PolarHBondContact O-N 2.88Å; E803-R812 VanDerWaalsContact O-O 3.13Å; E803-R812 IonicContact OE1-CZ 2.54Å; E803-R812 IonicContact OE1-NE 2.61Å; E803-R812 PolarHBondContact OE1-NE 3.36Å; E803-R812 IonicContact OE1-NH2 2.99Å; E803-R812 PolarHBondContact OE1-NH2 2.89Å; E803-T814 HydrophobicContact CB-CG2 4.03Å; E803-T814 HydrophobicContact CG-CG2 4.08Å; E803-T814 VanDerWaalsContact OE2-CA 3.22Å; E803-T814 WeakPolarHBondContact OE2-CA 3.4Å; E803-T814 VanDerWaalsContact OE2-CB 3.3Å; E803-T814 WeakPolarHBondContact OE2-CB 3.32Å
804	F	70	Confident	71.5	Confident	36 Å²	36	43.9 Å²	43.9	16%	0.158	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.9	173.3	-166.6	-120.1	0	0	0	109.4	I514 T806 V811 Q948	I514-F804 HydrophobicContact CD1-CB 4.12Å; F804-T806 PolarHBondContact O-N 2.83Å; F804-T806 VanDerWaalsContact O-N 3.14Å; F804-V811 HydrophobicContact CD2-CG2 3.92Å; F804-V811 HydrophobicContact CE2-CG2 4.11Å; F804-Q948 VanDerWaalsContact CZ-NE2 3.27Å; F804-Q948 VanDerWaalsContact CZ-OE1 3.25Å
805	S	65.2	Low	71	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.021	26%	0.258	C	S	.	.			trans	-80.7	94.1	178.6	-178.5	0	0	0	0	110.5	V807 T808 G809 D810 R812	S805-V807 PolarHBondContact O-N 3.28Å; S805-T808 WeakPolarHBondContact CB-OG1 3.27Å; S805-T808 PolarHBondContact O-N 3.43Å; S805-T808 PolarHBondContact OG-N 2.87Å; S805-T808 PolarHBondContact OG-OG1 3.17Å; S805-G809 WeakPolarHBondContact O-CA 3.5Å; S805-G809 PolarHBondContact O-N 2.74Å; S805-D810 WeakPolarHBondContact CB-O 3.39Å; S805-D810 PolarHBondContact N-O 3.09Å; S805-R812 VanDerWaalsContact CB-NH1 3.34Å; S805-R812 PolarHBondContact OG-NH1 3Å
806	T	57.4	Low	70.7	Confident	92 Å²	92	50.9 Å²	50.9	56%	0.564	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.5	-33.3	172.4	50.2	0	0	0	0	113.5	F804	F804-T806 PolarHBondContact O-N 2.83Å; F804-T806 VanDerWaalsContact O-N 3.14Å
807	V	52.7	Low	70.4	Confident	131 Å²	131	52.1 Å²	52.1	79%	0.794	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-30.2	-179.3	-179.4	0	0	0	0	113.5	S805	S805-V807 PolarHBondContact O-N 3.28Å
808	T	57.2	Low	69.4	Low	44 Å²	44	52.8 Å²	52.8	27%	0.27	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122	-13.5	-170	66.8	0	0	0	0	115	S805 D810 R951	S805-T808 WeakPolarHBondContact CB-OG1 3.27Å; S805-T808 PolarHBondContact O-N 3.43Å; S805-T808 PolarHBondContact OG-N 2.87Å; S805-T808 PolarHBondContact OG-OG1 3.17Å; T808-D810 WeakPolarHBondContact CB-OD2 3.38Å; T808-D810 PolarHBondContact O-N 2.92Å; T808-D810 WeakPolarHBondContact OG1-CB 3.24Å; T808-D810 PolarHBondContact OG1-N 3.03Å; T808-D810 PolarHBondContact OG1-OD2 2.87Å; T808-R951 PolarHBondContact O-NH1 3.24Å; T808-R951 VanDerWaalsContact O-NH1 3.17Å
809	G	56.9	Low	68.5	Low	4 Å²	4	52.1 Å²	52.1	4%	0.041	27%	0.266	C	S	.	.			trans	76.7	-6.7	-168	0	0	0	0	0	114.6	S805 V811 Q948	S805-G809 WeakPolarHBondContact O-CA 3.5Å; S805-G809 PolarHBondContact O-N 2.74Å; G809-V811 PolarHBondContact O-N 2.89Å; G809-Q948 PolarHBondContact O-OE1 2.87Å; G809-Q948 VanDerWaalsContact O-OE1 3.13Å
810	D	66.9	Low	67.7	Low	42 Å²	42	51.9 Å²	51.9	23%	0.225	26%	0.259	C	S	.	.			trans	-75.4	122	-175.2	-67.9	-68.8	0	0	0	111.5	S805 T808 Q919 R951	S805-D810 WeakPolarHBondContact CB-O 3.39Å; S805-D810 PolarHBondContact N-O 3.09Å; T808-D810 WeakPolarHBondContact CB-OD2 3.38Å; T808-D810 PolarHBondContact O-N 2.92Å; T808-D810 WeakPolarHBondContact OG1-CB 3.24Å; T808-D810 PolarHBondContact OG1-N 3.03Å; T808-D810 PolarHBondContact OG1-OD2 2.87Å; D810-Q919 PolarHBondContact OD1-NE2 2.96Å; D810-R951 IonicContact OD2-NH1 2.94Å; D810-R951 PolarHBondContact OD2-NH1 2.61Å
811	V	73.5	Confident	67.4	Low	3 Å²	3	52.1 Å²	52.1	2%	0.018	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.7	157.3	-169.3	0	0	0	0	107.7	V802 F804 G809 I873 V912 C916 Q919	V802-V811 HydrophobicContact CG1-CG1 3.22Å; F804-V811 HydrophobicContact CD2-CG2 3.92Å; F804-V811 HydrophobicContact CE2-CG2 4.11Å; G809-V811 PolarHBondContact O-N 2.89Å; V811-I873 HydrophobicContact CG1-CD1 4.08Å; V811-V912 HydrophobicContact CB-CG1 4.35Å; V811-V912 HydrophobicContact CG1-CG1 3.59Å; V811-V912 HydrophobicContact CG2-CB 4.41Å; V811-V912 HydrophobicContact CG2-CG1 3.74Å; V811-C916 VanDerWaalsContact CB-SG 3.57Å; V811-C916 WeakPolarHBondContact CG1-SG 3.42Å; V811-Q919 PolarHBondContact O-NE2 2.99Å; V811-Q919 PolarHBondContact O-OE1 3.36Å
812	R	78.9	Confident	66.6	Low	89 Å²	89	47.4 Å²	47.4	34%	0.336	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159	-178.8	65.3	-172.5	-173.5	-149	-5.7	111.9	V802 E803 S805	V802-R812 CarbonylContact C-O 3.58Å; V802-R812 WeakPolarHBondContact CA-O 3.31Å; E803-R812 HydrophobicContact CG-CG 3.65Å; E803-R812 PolarHBondContact N-O 2.86Å; E803-R812 PolarHBondContact O-N 2.88Å; E803-R812 VanDerWaalsContact O-O 3.13Å; E803-R812 IonicContact OE1-CZ 2.54Å; E803-R812 IonicContact OE1-NE 2.61Å; E803-R812 PolarHBondContact OE1-NE 3.36Å; E803-R812 IonicContact OE1-NH2 2.99Å; E803-R812 PolarHBondContact OE1-NH2 2.89Å; S805-R812 VanDerWaalsContact CB-NH1 3.34Å; S805-R812 PolarHBondContact OG-NH1 3Å
813	L	76.9	Confident	65.6	Low	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	144.9	167	-70.2	174.4	0	0	0	110.5	L796 V802 W817 A818 L821 V870 I873	L796-L813 HydrophobicContact CD1-CD1 3.74Å; L796-L813 HydrophobicContact CD1-CD2 4.15Å; L796-L813 HydrophobicContact CD2-CD1 4.36Å; V802-L813 HydrophobicContact CG2-CD2 4.43Å; L813-W817 HydrophobicContact CB-CB 3.96Å; L813-W817 HydrophobicContact CD1-CB 4.31Å; L813-W817 HydrophobicContact CD2-CB 4.15Å; L813-W817 HydrophobicContact CG-CB 4.38Å; L813-A818 HydrophobicContact CB-CB 4.08Å; L813-L821 HydrophobicContact CD1-CB 3.73Å; L813-L821 HydrophobicContact CD1-CD2 3.52Å; L813-L821 HydrophobicContact CD1-CG 4.28Å; L813-V870 HydrophobicContact CD2-CG1 4.39Å; L813-V870 HydrophobicContact CD2-CG2 3.92Å; L813-I873 HydrophobicContact CD1-CG2 4.43Å; L813-I873 HydrophobicContact CG-CG2 4.03Å
814	T	71.9	Confident	65.1	Low	32 Å²	32	45.6 Å²	45.6	20%	0.196	23%	0.233	C	C	.	.			trans	-64.7	159.3	174.9	78.9	0	0	0	0	111.7	K801 E803 K816 W817 A818	K801-T814 HydrophobicContact CB-CG2 3.8Å; K801-T814 PolarHBondContact O-N 3.12Å; E803-T814 HydrophobicContact CB-CG2 4.03Å; E803-T814 HydrophobicContact CG-CG2 4.08Å; E803-T814 VanDerWaalsContact OE2-CA 3.22Å; E803-T814 WeakPolarHBondContact OE2-CA 3.4Å; E803-T814 VanDerWaalsContact OE2-CB 3.3Å; E803-T814 WeakPolarHBondContact OE2-CB 3.32Å; T814-K816 PolarHBondContact O-N 2.91Å; T814-W817 PolarHBondContact O-N 3.08Å; T814-A818 PolarHBondContact O-N 3.16Å
815	K	65.6	Low	65.1	Low	150 Å²	150	46.2 Å²	46.2	65%	0.652	24%	0.237	S	C	*	.	H	α-helix	trans	-44.2	-39.3	-172.2	-168.5	179.8	-178.6	-176.2	0	114.5	R819	K815-R819 WeakPolarHBondContact O-CG 3.39Å
816	K	63.9	Low	64.9	Low	112 Å²	112	47.4 Å²	47.4	49%	0.487	24%	0.244	S	C	.	.	H	α-helix	trans	-70.4	-40.3	178	-175.3	166.3	-176.1	164.2	0	113.2	T814	T814-K816 PolarHBondContact O-N 2.91Å
817	W	71.4	Confident	65.2	Low	25 Å²	25	43.4 Å²	43.4	10%	0.095	22%	0.219	C	C	.	.	H	α-helix	trans	-82.8	-35	-178.2	-62.4	111.6	0	0	0	112.5	C795 L796 S799 L813 T814 R819 K820 L821	C795-W817 VanDerWaalsContact O-CZ3 3.29Å; C795-W817 WeakPolarHBondContact O-CZ3 2.98Å; L796-W817 HydrophobicContact CD1-CB 4.04Å; L796-W817 HydrophobicContact CD1-CE3 3.93Å; S799-W817 WeakPolarHBondContact O-CZ2 3.46Å; S799-W817 PolarHBondContact O-NE1 3.46Å; S799-W817 WeakPolarHBondContact OG-CH2 3.27Å; L813-W817 HydrophobicContact CB-CB 3.96Å; L813-W817 HydrophobicContact CD1-CB 4.31Å; L813-W817 HydrophobicContact CD2-CB 4.15Å; L813-W817 HydrophobicContact CG-CB 4.38Å; T814-W817 PolarHBondContact O-N 3.08Å; W817-R819 PolarHBondContact O-N 3.3Å; W817-K820 HydrophobicContact CE3-CD 3.74Å; W817-K820 HydrophobicContact CZ3-CD 3.62Å; W817-K820 PolarHBondContact O-N 3.08Å; W817-K820 VanDerWaalsContact O-N 3.08Å; W817-L821 PolarHBondContact O-N 2.71Å
818	A	63.4	Low	66.1	Low	32 Å²	32	37.3 Å²	37.3	26%	0.264	18%	0.181	S	C	.	.	H	α-helix	trans	-60.9	-25.4	171.7	0	0	0	0	0	113	L813 T814 C822	L813-A818 HydrophobicContact CB-CB 4.08Å; T814-A818 PolarHBondContact O-N 3.16Å; A818-C822 WeakPolarHBondContact O-CB 3.28Å; A818-C822 PolarHBondContact O-N 2.91Å
819	R	57.9	Low	66.5	Low	61 Å²	61	39.4 Å²	39.4	23%	0.23	19%	0.187	C	C	.	.	H	α-helix	trans	-70.1	-47.3	169.6	-70.5	-178.5	-151.4	-147.5	17.4	111.8	E716 K759 K815 W817 L821 C822 M823	E716-R819 VanDerWaalsContact CD-NH2 3.3Å; E716-R819 WeakPolarHBondContact OE1-CD 3.35Å; E716-R819 IonicContact OE1-CZ 2.69Å; E716-R819 IonicContact OE1-NE 3.28Å; E716-R819 PolarHBondContact OE1-NE 3.1Å; E716-R819 IonicContact OE1-NH1 3.6Å; E716-R819 IonicContact OE1-NH2 3.28Å; E716-R819 PolarHBondContact OE1-NH2 3.31Å; E716-R819 IonicContact OE2-CZ 3.09Å; E716-R819 IonicContact OE2-NE 3.77Å; E716-R819 IonicContact OE2-NH1 3.1Å; E716-R819 PolarHBondContact OE2-NH1 2.78Å; E716-R819 IonicContact OE2-NH2 3.43Å; E716-R819 PolarHBondContact OE2-NH2 3.4Å; K759-R819 HydrophobicContact CD-CG 4.11Å; K815-R819 WeakPolarHBondContact O-CG 3.39Å; W817-R819 PolarHBondContact O-N 3.3Å; R819-L821 VanDerWaalsContact C-N 3.32Å; R819-L821 PolarHBondContact O-N 3.16Å; R819-C822 WeakPolarHBondContact O-CB 3.2Å; R819-C822 PolarHBondContact O-N 3.28Å; R819-C822 VanDerWaalsContact O-N 3.08Å; R819-M823 WeakPolarHBondContact O-CG 3.27Å; R819-M823 PolarHBondContact O-N 3.1Å
820	K	60.7	Low	66.6	Low	45 Å²	45	44.4 Å²	44.4	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-37.5	177.4	-66.5	-174.5	-176.3	175.3	0	112.6	C795 W817 M823 L824	C795-K820 PolarHBondContact SG-NZ 3.02Å; W817-K820 HydrophobicContact CE3-CD 3.74Å; W817-K820 HydrophobicContact CZ3-CD 3.62Å; W817-K820 PolarHBondContact O-N 3.08Å; W817-K820 VanDerWaalsContact O-N 3.08Å; K820-M823 WeakPolarHBondContact O-CB 3.35Å; K820-M823 PolarHBondContact O-N 3.27Å; K820-L824 PolarHBondContact O-N 3.11Å
821	L	67.1	Low	66.5	Low	5 Å²	5	42.8 Å²	42.8	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-66.2	-36.4	173.1	-178.2	55.5	0	0	0	112.4	L796 L813 W817 R819 M823 L824 E825 I873 A874 Q877 L878	L796-L821 HydrophobicContact CD2-CB 4.11Å; L796-L821 HydrophobicContact CD2-CD1 4.12Å; L813-L821 HydrophobicContact CD1-CB 3.73Å; L813-L821 HydrophobicContact CD1-CD2 3.52Å; L813-L821 HydrophobicContact CD1-CG 4.28Å; W817-L821 PolarHBondContact O-N 2.71Å; R819-L821 VanDerWaalsContact C-N 3.32Å; R819-L821 PolarHBondContact O-N 3.16Å; L821-M823 VanDerWaalsContact C-N 3.35Å; L821-L824 HydrophobicContact CD1-CB 4.46Å; L821-L824 HydrophobicContact CD1-CD1 4.49Å; L821-L824 WeakPolarHBondContact O-CB 3.39Å; L821-L824 PolarHBondContact O-N 3.38Å; L821-E825 PolarHBondContact O-N 3.43Å; L821-I873 HydrophobicContact CD2-CG2 4.19Å; L821-A874 HydrophobicContact CD1-CB 3.93Å; L821-Q877 HydrophobicContact CD1-CB 4.4Å; L821-Q877 HydrophobicContact CD2-CB 3.67Å; L821-Q877 HydrophobicContact CD2-CG 4.09Å; L821-Q877 HydrophobicContact CG-CB 4Å; L821-Q877 HydrophobicContact CG-CG 4.41Å; L821-L878 HydrophobicContact CD1-CG 4.37Å
822	C	62	Low	65.8	Low	35 Å²	35	49 Å²	49	24%	0.236	24%	0.237	C	C	.	.	H	α-helix	trans	-68.1	-32.2	173.3	-169.9	0	0	0	0	112.5	A818 R819 E825 T826	A818-C822 WeakPolarHBondContact O-CB 3.28Å; A818-C822 PolarHBondContact O-N 2.91Å; R819-C822 WeakPolarHBondContact O-CB 3.2Å; R819-C822 PolarHBondContact O-N 3.28Å; R819-C822 VanDerWaalsContact O-N 3.08Å; C822-E825 PolarHBondContact O-N 3.14Å; C822-T826 WeakPolarHBondContact O-CB 3.35Å; C822-T826 PolarHBondContact O-N 2.68Å; C822-T826 PolarHBondContact O-OG1 3Å
823	M	59.9	Low	65.3	Low	10 Å²	10	48.3 Å²	48.3	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-45.7	168	-61.6	172.9	67	0	0	111.3	V755 K756 L792 R819 K820 L821 E825 T826 L827	V755-M823 HydrophobicContact CB-CE 4.3Å; V755-M823 HydrophobicContact CG1-CB 3.91Å; V755-M823 HydrophobicContact CG1-CE 3.9Å; V755-M823 HydrophobicContact CG1-CG 3.93Å; K756-M823 HydrophobicContact CB-CE 4.34Å; K756-M823 HydrophobicContact CB-SD 4.34Å; K756-M823 HydrophobicContact CG-CE 3.63Å; K756-M823 HydrophobicContact CG-SD 3.83Å; L792-M823 HydrophobicContact CD1-CB 4.3Å; L792-M823 HydrophobicContact CD1-CE 4.1Å; L792-M823 HydrophobicContact CD2-CE 4.22Å; L792-M823 HydrophobicContact CD2-SD 4.45Å; R819-M823 WeakPolarHBondContact O-CG 3.27Å; R819-M823 PolarHBondContact O-N 3.1Å; K820-M823 WeakPolarHBondContact O-CB 3.35Å; K820-M823 PolarHBondContact O-N 3.27Å; L821-M823 VanDerWaalsContact C-N 3.35Å; M823-E825 VanDerWaalsContact C-N 3.35Å; M823-E825 PolarHBondContact O-N 2.59Å; M823-T826 PolarHBondContact O-N 2.91Å; M823-L827 WeakPolarHBondContact O-CG 3.47Å; M823-L827 PolarHBondContact O-N 3.46Å
824	L	68	Low	65	Low	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.9	-41.3	174.5	-73.9	170.6	0	0	0	111.8	F789 L792 L796 K820 L821 L827 F828 F844 L878	F789-L824 HydrophobicContact CD1-CD2 3.98Å; F789-L824 HydrophobicContact CD2-CD2 3.78Å; F789-L824 HydrophobicContact CE1-CD2 3.97Å; F789-L824 HydrophobicContact CE2-CB 4.34Å; F789-L824 HydrophobicContact CE2-CD2 3.77Å; F789-L824 WeakPolarHBondContact CE2-O 3.45Å; F789-L824 HydrophobicContact CG-CD2 3.88Å; F789-L824 HydrophobicContact CZ-CB 4.47Å; F789-L824 HydrophobicContact CZ-CD2 3.86Å; F789-L824 WeakPolarHBondContact O-CD2 3.46Å; L792-L824 HydrophobicContact CB-CD1 4.43Å; L792-L824 HydrophobicContact CB-CD2 3.59Å; L792-L824 HydrophobicContact CB-CG 3.96Å; L792-L824 HydrophobicContact CD1-CD2 4.42Å; L796-L824 HydrophobicContact CD2-CD1 3.85Å; K820-L824 PolarHBondContact O-N 3.11Å; L821-L824 HydrophobicContact CD1-CB 4.46Å; L821-L824 HydrophobicContact CD1-CD1 4.49Å; L821-L824 WeakPolarHBondContact O-CB 3.39Å; L821-L824 PolarHBondContact O-N 3.38Å; L824-L827 PolarHBondContact O-N 3.16Å; L824-F828 VanDerWaalsContact O-CB 3.3Å; L824-F828 WeakPolarHBondContact O-CB 3.27Å; L824-F828 PolarHBondContact O-N 3.47Å; L824-F844 HydrophobicContact CD1-CE2 4.24Å; L824-F844 HydrophobicContact CD1-CZ 3.9Å; L824-L878 HydrophobicContact CB-CD2 4.46Å
825	E	69.2	Low	65.1	Low	49 Å²	49	54.6 Å²	54.6	23%	0.229	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-43.6	174.3	-168.3	-163	155.9	0	0	111.8	L821 C822 M823 F828 K829 L878	L821-E825 PolarHBondContact O-N 3.43Å; C822-E825 PolarHBondContact O-N 3.14Å; M823-E825 VanDerWaalsContact C-N 3.35Å; M823-E825 PolarHBondContact O-N 2.59Å; E825-F828 PolarHBondContact O-N 3.05Å; E825-K829 HydrophobicContact CG-CD 4.19Å; E825-K829 WeakPolarHBondContact O-CB 3.46Å; E825-K829 WeakPolarHBondContact O-CG 3.4Å; E825-K829 PolarHBondContact O-N 3.27Å; E825-K829 WeakPolarHBondContact OE1-CE 3.36Å; E825-K829 IonicContact OE1-NZ 3.91Å; E825-K829 PolarHBondContact OE1-NZ 2.71Å; E825-L878 HydrophobicContact CB-CD2 4.13Å
826	T	60.9	Low	65.5	Low	28 Å²	28	47.6 Å²	47.6	17%	0.172	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-45	175.9	-53.5	0	0	0	0	111	C822 M823 F828 K829 L830	C822-T826 WeakPolarHBondContact O-CB 3.35Å; C822-T826 PolarHBondContact O-N 2.68Å; C822-T826 PolarHBondContact O-OG1 3Å; M823-T826 PolarHBondContact O-N 2.91Å; T826-F828 VanDerWaalsContact C-N 3.31Å; T826-F828 PolarHBondContact O-N 2.97Å; T826-K829 PolarHBondContact O-N 3.4Å; T826-L830 HydrophobicContact CG2-CD1 4.02Å; T826-L830 WeakPolarHBondContact O-CB 3.37Å; T826-L830 WeakPolarHBondContact O-CG 3.26Å; T826-L830 PolarHBondContact O-N 2.81Å
827	L	64.1	Low	66.4	Low	7 Å²	7	42.8 Å²	42.8	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-31.1	175.8	-68	173.3	0	0	0	112.4	Y785 L788 F789 L792 M823 L824 S831	Y785-L827 HydrophobicContact CE1-CB 4.18Å; Y785-L827 HydrophobicContact CE1-CD2 4.3Å; Y785-L827 VanDerWaalsContact CE1-O 3.29Å; Y785-L827 WeakPolarHBondContact CE1-O 3.39Å; Y785-L827 HydrophobicContact CE2-CD2 3.88Å; Y785-L827 VanDerWaalsContact OH-C 3.31Å; Y785-L827 VanDerWaalsContact OH-CA 3.26Å; Y785-L827 WeakPolarHBondContact OH-CA 3.29Å; Y785-L827 PolarHBondContact OH-O 3.34Å; L788-L827 HydrophobicContact CD2-CD1 4.05Å; L788-L827 HydrophobicContact CD2-CD2 4.37Å; L788-L827 HydrophobicContact CG-CD1 4.03Å; F789-L827 HydrophobicContact CD2-CB 3.87Å; F789-L827 HydrophobicContact CE2-CB 4.29Å; L792-L827 HydrophobicContact CD1-CD1 3.73Å; M823-L827 WeakPolarHBondContact O-CG 3.47Å; M823-L827 PolarHBondContact O-N 3.46Å; L824-L827 PolarHBondContact O-N 3.16Å; L827-S831 PolarHBondContact O-N 3.25Å
828	F	72.6	Confident	67.1	Low	3 Å²	3	43 Å²	43	1%	0.013	22%	0.224	C	C	.	.	H	α-helix	trans	-72	-40	175.7	-159.8	-100.9	0	0	0	111.4	F789 L824 E825 T826 S831 V836 V837 V840 L878 T883 A884 F885	F789-F828 HydrophobicContact CE2-CB 4.12Å; F789-F828 HydrophobicContact CE2-CD2 4.07Å; F789-F828 HydrophobicContact CZ-CD2 4.01Å; L824-F828 VanDerWaalsContact O-CB 3.3Å; L824-F828 WeakPolarHBondContact O-CB 3.27Å; L824-F828 PolarHBondContact O-N 3.47Å; E825-F828 PolarHBondContact O-N 3.05Å; T826-F828 VanDerWaalsContact C-N 3.31Å; T826-F828 PolarHBondContact O-N 2.97Å; F828-S831 PolarHBondContact O-N 3.12Å; F828-S831 VanDerWaalsContact O-O 3.05Å; F828-V836 HydrophobicContact CD2-CG1 3.76Å; F828-V836 HydrophobicContact CE2-CG1 4.14Å; F828-V837 HydrophobicContact CZ-CG2 4.34Å; F828-V840 HydrophobicContact CD2-CG2 3.62Å; F828-V840 HydrophobicContact CE2-CB 4.21Å; F828-V840 HydrophobicContact CE2-CG2 3.46Å; F828-V840 VanDerWaalsContact CE2-CG2 3.46Å; F828-V840 HydrophobicContact CZ-CG2 4.43Å; F828-L878 HydrophobicContact CB-CD2 3.96Å; F828-L878 HydrophobicContact CG-CD2 4.33Å; F828-T883 HydrophobicContact CD1-CG2 4.42Å; F828-T883 WeakPolarHBondContact CE1-OG1 3.2Å; F828-A884 HydrophobicContact CZ-CB 4.42Å; F828-F885 HydrophobicContact CE1-CB 3.81Å; F828-F885 HydrophobicContact CE1-CD2 4.45Å; F828-F885 HydrophobicContact CZ-CB 4.3Å
829	K	65.5	Low	68.1	Low	89 Å²	89	41.7 Å²	41.7	39%	0.387	21%	0.214	S	C	.	.	H	α-helix	trans	-71.7	-29	178.5	-76.1	173.7	174.8	-175.5	0	114.2	E825 T826 S831 D880 T883	E825-K829 HydrophobicContact CG-CD 4.19Å; E825-K829 WeakPolarHBondContact O-CB 3.46Å; E825-K829 WeakPolarHBondContact O-CG 3.4Å; E825-K829 PolarHBondContact O-N 3.27Å; E825-K829 WeakPolarHBondContact OE1-CE 3.36Å; E825-K829 IonicContact OE1-NZ 3.91Å; E825-K829 PolarHBondContact OE1-NZ 2.71Å; T826-K829 PolarHBondContact O-N 3.4Å; K829-S831 VanDerWaalsContact C-N 3.32Å; K829-D880 WeakPolarHBondContact CE-OD2 3.3Å; K829-D880 IonicContact NZ-OD2 3.18Å; K829-D880 PolarHBondContact NZ-OD2 2.77Å; K829-T883 HydrophobicContact CG-CG2 3.68Å
830	L	58.3	Low	69.5	Low	109 Å²	109	38.8 Å²	38.8	57%	0.571	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.8	175.7	-70.7	172.2	0	0	0	113.5	Y785 T826	Y785-L830 VanDerWaalsContact OH-CB 3.26Å; Y785-L830 WeakPolarHBondContact OH-CB 3.48Å; T826-L830 HydrophobicContact CG2-CD1 4.02Å; T826-L830 WeakPolarHBondContact O-CB 3.37Å; T826-L830 WeakPolarHBondContact O-CG 3.26Å; T826-L830 PolarHBondContact O-N 2.81Å
831	S	64.2	Low	70.9	Confident	7 Å²	7	41.5 Å²	41.5	5%	0.049	21%	0.212	C	C	.	.			trans	-119.8	121.9	179.9	178.9	0	0	0	0	112.7	L827 F828 K829 E833 V836	L827-S831 PolarHBondContact O-N 3.25Å; F828-S831 PolarHBondContact O-N 3.12Å; F828-S831 VanDerWaalsContact O-O 3.05Å; K829-S831 VanDerWaalsContact C-N 3.32Å; S831-E833 VanDerWaalsContact C-N 3.29Å; S831-E833 WeakPolarHBondContact OG-CB 3.28Å; S831-E833 PolarHBondContact OG-N 2.98Å; S831-V836 VanDerWaalsContact OG-CG2 3.3Å; S831-V836 WeakPolarHBondContact OG-CG2 3.39Å
832	N	60.4	Low	71.9	Confident	134 Å²	134	45 Å²	45	72%	0.717	23%	0.231	S	C	*	.			trans	-92.1	16.6	169.5	-69.5	-28.8	0	0	0	112.4
833	E	66.9	Low	73.1	Confident	75 Å²	75	44.6 Å²	44.6	35%	0.35	23%	0.226	S	C	.	.			trans	-101.7	137	-162.3	-56.1	-173.6	146.4	0	0	114.6	M782 S831 N835 V836 V837	M782-E833 HydrophobicContact CE-CB 3.96Å; M782-E833 HydrophobicContact CE-CG 4.15Å; M782-E833 WeakPolarHBondContact CE-OE2 3.37Å; S831-E833 VanDerWaalsContact C-N 3.29Å; S831-E833 WeakPolarHBondContact OG-CB 3.28Å; S831-E833 PolarHBondContact OG-N 2.98Å; E833-N835 PolarHBondContact O-N 2.97Å; E833-N835 VanDerWaalsContact O-N 3.08Å; E833-V836 PolarHBondContact O-N 2.71Å; E833-V837 PolarHBondContact O-N 3.44Å
834	L	71.9	Confident	74.7	Confident	118 Å²	118	44.1 Å²	44.1	62%	0.618	22%	0.224	S	C	*	.	H	α-helix	trans	-55.1	-26.9	178.4	-74.7	160	0	0	0	114.2	S838 Q887	L834-S838 WeakPolarHBondContact O-CB 3.38Å; L834-S838 PolarHBondContact O-N 3.06Å; L834-S838 PolarHBondContact O-OG 3.34Å; L834-Q887 VanDerWaalsContact CD2-OE1 3.28Å
835	N	73.9	Confident	75.9	Confident	53 Å²	53	44.6 Å²	44.6	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-71.4	-35.5	178.7	-73.2	26.9	0	0	0	112.2	M782 Q786 E833 S838 A839	M782-N835 HydrophobicContact CE-CB 4.25Å; M782-N835 PolarHBondContact SD-ND2 3.06Å; M782-N835 VanDerWaalsContact SD-ND2 3.41Å; Q786-N835 PolarHBondContact OE1-ND2 2.96Å; E833-N835 PolarHBondContact O-N 2.97Å; E833-N835 VanDerWaalsContact O-N 3.08Å; N835-S838 WeakPolarHBondContact O-CB 3.44Å; N835-S838 PolarHBondContact O-N 3.43Å; N835-A839 PolarHBondContact O-N 3.1Å
836	V	74.3	Confident	76.9	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-78	-35.8	177.5	-177.3	0	0	0	0	110.4	Y785 F789 F828 S831 E833 S838 A839 V840	Y785-V836 HydrophobicContact CD1-CG2 3.79Å; Y785-V836 HydrophobicContact CE1-CG2 4.03Å; F789-V836 HydrophobicContact CD1-CG1 4.44Å; F789-V836 HydrophobicContact CD2-CG1 3.67Å; F789-V836 HydrophobicContact CE1-CG1 4.49Å; F789-V836 HydrophobicContact CE2-CG1 3.73Å; F789-V836 HydrophobicContact CG-CG1 4.04Å; F789-V836 HydrophobicContact CZ-CG1 4.17Å; F828-V836 HydrophobicContact CD2-CG1 3.76Å; F828-V836 HydrophobicContact CE2-CG1 4.14Å; S831-V836 VanDerWaalsContact OG-CG2 3.3Å; S831-V836 WeakPolarHBondContact OG-CG2 3.39Å; E833-V836 PolarHBondContact O-N 2.71Å; V836-S838 VanDerWaalsContact C-N 3.28Å; V836-S838 PolarHBondContact O-N 3.18Å; V836-A839 PolarHBondContact O-N 3.38Å; V836-V840 PolarHBondContact O-N 2.81Å
837	V	82.6	Confident	78.1	Confident	11 Å²	11	45.6 Å²	45.6	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-58.5	-42	166.5	-179.6	0	0	0	0	111	F828 E833 V840 R841 A884 Q887 L888	F828-V837 HydrophobicContact CZ-CG2 4.34Å; E833-V837 PolarHBondContact O-N 3.44Å; V837-V840 PolarHBondContact O-N 2.71Å; V837-R841 WeakPolarHBondContact O-CB 3.35Å; V837-R841 PolarHBondContact O-N 3.36Å; V837-A884 HydrophobicContact CG2-CB 3.38Å; V837-Q887 HydrophobicContact CG1-CB 4.07Å; V837-L888 HydrophobicContact CG1-CD2 3.91Å; V837-L888 HydrophobicContact CG1-CG 4.38Å
838	S	84.9	Confident	79.4	Confident	29 Å²	29	45.3 Å²	45.3	20%	0.203	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-42	175.4	-64	0	0	0	0	111.8	L834 N835 V836 V840 R841 D842	L834-S838 WeakPolarHBondContact O-CB 3.38Å; L834-S838 PolarHBondContact O-N 3.06Å; L834-S838 PolarHBondContact O-OG 3.34Å; N835-S838 WeakPolarHBondContact O-CB 3.44Å; N835-S838 PolarHBondContact O-N 3.43Å; V836-S838 VanDerWaalsContact C-N 3.28Å; V836-S838 PolarHBondContact O-N 3.18Å; S838-V840 PolarHBondContact O-N 3.14Å; S838-R841 WeakPolarHBondContact O-CB 3.44Å; S838-R841 PolarHBondContact O-N 2.77Å; S838-R841 VanDerWaalsContact O-N 3.13Å; S838-R841 PolarHBondContact OG-NH1 2.83Å; S838-D842 WeakPolarHBondContact O-CB 3.37Å; S838-D842 PolarHBondContact O-N 3.2Å
839	A	83.9	Confident	80.2	Confident	6 Å²	6	47.5 Å²	47.5	5%	0.05	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-40.3	173.9	0	0	0	0	0	112.7	F789 N835 V836 N843	F789-A839 HydrophobicContact CD1-CB 3.71Å; F789-A839 HydrophobicContact CE1-CB 4.2Å; N835-A839 PolarHBondContact O-N 3.1Å; V836-A839 PolarHBondContact O-N 3.38Å; A839-N843 WeakPolarHBondContact O-CB 3.38Å; A839-N843 VanDerWaalsContact O-CG 3.28Å; A839-N843 PolarHBondContact O-N 3.47Å; A839-N843 PolarHBondContact O-ND2 3.08Å
840	V	88	Confident	81.2	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.5	-39.7	171.9	173.3	0	0	0	0	112	F789 F828 V836 V837 S838 F844 Y845 L875 L878 L888	F789-V840 HydrophobicContact CE1-CG2 3.5Å; F789-V840 VanDerWaalsContact CE1-CG2 3.5Å; F789-V840 HydrophobicContact CZ-CG2 3.37Å; F828-V840 HydrophobicContact CD2-CG2 3.62Å; F828-V840 HydrophobicContact CE2-CB 4.21Å; F828-V840 HydrophobicContact CE2-CG2 3.46Å; F828-V840 VanDerWaalsContact CE2-CG2 3.46Å; F828-V840 HydrophobicContact CZ-CG2 4.43Å; V836-V840 PolarHBondContact O-N 2.81Å; V837-V840 PolarHBondContact O-N 2.71Å; S838-V840 PolarHBondContact O-N 3.14Å; V840-F844 HydrophobicContact CG1-CD2 4.39Å; V840-F844 PolarHBondContact O-N 2.79Å; V840-Y845 PolarHBondContact O-N 3.3Å; V840-Y845 VanDerWaalsContact O-N 3.11Å; V840-L875 HydrophobicContact CG1-CD2 3.63Å; V840-L878 HydrophobicContact CG1-CD1 4.3Å; V840-L878 HydrophobicContact CG2-CD1 3.98Å; V840-L888 HydrophobicContact CG1-CD1 3.94Å
841	R	89.5	Confident	82.5	Confident	102 Å²	102	41.8 Å²	41.8	39%	0.385	22%	0.22	S	C	.	.	I	π-helix	trans	-61.3	-48.2	177.3	-176.1	-166.9	66.1	-134.1	-12.2	111	V837 S838 Y845 T846 L888	V837-R841 WeakPolarHBondContact O-CB 3.35Å; V837-R841 PolarHBondContact O-N 3.36Å; S838-R841 WeakPolarHBondContact O-CB 3.44Å; S838-R841 PolarHBondContact O-N 2.77Å; S838-R841 VanDerWaalsContact O-N 3.13Å; S838-R841 PolarHBondContact OG-NH1 2.83Å; R841-Y845 HydrophobicContact CG-CD1 4.2Å; R841-Y845 WeakPolarHBondContact O-CB 3.44Å; R841-T846 WeakPolarHBondContact O-CB 3.49Å; R841-T846 PolarHBondContact O-N 3.29Å; R841-T846 PolarHBondContact O-OG1 3.49Å; R841-L888 HydrophobicContact CB-CD2 3.95Å; R841-L888 HydrophobicContact CG-CD2 4.49Å
842	D	88.4	Confident	83.1	Confident	79 Å²	79	42.4 Å²	42.4	42%	0.422	22%	0.224	S	C	.	.	I	π-helix	trans	-78.8	-38.7	-170.2	-59.3	-20.7	0	0	0	110.5	S838	S838-D842 WeakPolarHBondContact O-CB 3.37Å; S838-D842 PolarHBondContact O-N 3.2Å
843	N	88.1	Confident	83.6	Confident	26 Å²	26	37.4 Å²	37.4	14%	0.139	20%	0.204	C	C	.	.	I	π-helix	trans	-85.8	-35	-176.6	-62.7	-17.3	0	0	0	114.5	S793 L797 A839 N847	S793-N843 WeakPolarHBondContact CB-ND2 3.42Å; S793-N843 PolarHBondContact OG-ND2 3.21Å; L797-N843 HydrophobicContact CD1-CB 4.09Å; L797-N843 WeakPolarHBondContact CD1-O 3.2Å; A839-N843 WeakPolarHBondContact O-CB 3.38Å; A839-N843 VanDerWaalsContact O-CG 3.28Å; A839-N843 PolarHBondContact O-N 3.47Å; A839-N843 PolarHBondContact O-ND2 3.08Å; N843-N847 PolarHBondContact O-ND2 3.41Å
844	F	93	Very high	83.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	I	π-helix	trans	-117.8	-49.8	-172.6	-58.9	-58.5	0	0	0	113.6	S793 L796 L797 L824 V840 T846 A874 L875 L878	S793-F844 WeakPolarHBondContact OG-CE2 3.44Å; S793-F844 VanDerWaalsContact OG-CZ 3.3Å; S793-F844 WeakPolarHBondContact OG-CZ 3.41Å; L796-F844 HydrophobicContact CD2-CE1 4.36Å; L796-F844 HydrophobicContact CD2-CZ 4.2Å; L797-F844 HydrophobicContact CD1-CE1 4.36Å; L797-F844 HydrophobicContact CD2-CD1 3.86Å; L797-F844 HydrophobicContact CD2-CE1 3.84Å; L797-F844 HydrophobicContact CG-CD1 4.37Å; L797-F844 HydrophobicContact CG-CE1 3.96Å; L824-F844 HydrophobicContact CD1-CE2 4.24Å; L824-F844 HydrophobicContact CD1-CZ 3.9Å; V840-F844 HydrophobicContact CG1-CD2 4.39Å; V840-F844 PolarHBondContact O-N 2.79Å; F844-T846 PolarHBondContact O-N 3.38Å; F844-A874 HydrophobicContact CD1-CB 3.68Å; F844-A874 HydrophobicContact CD2-CB 4.31Å; F844-A874 HydrophobicContact CE1-CB 3.67Å; F844-A874 HydrophobicContact CE2-CB 4.29Å; F844-A874 HydrophobicContact CG-CB 4.01Å; F844-A874 HydrophobicContact CZ-CB 3.99Å; F844-L875 HydrophobicContact CB-CD2 3.61Å; F844-L875 HydrophobicContact CB-CG 4.07Å; F844-L875 HydrophobicContact CG-CD2 4.48Å; F844-L878 HydrophobicContact CD2-CD1 4.1Å; F844-L878 HydrophobicContact CE2-CD1 4.1Å
845	Y	92.3	Very high	82.9	Confident	10 Å²	10	39.1 Å²	39.1	4%	0.039	22%	0.22	C	C	.	.	I	π-helix	trans	-63	-42.7	-178.6	175.9	-76.8	0	0	0	112	V840 R841 N847 I848 I849 L888 N889 R892 I893	V840-Y845 PolarHBondContact O-N 3.3Å; V840-Y845 VanDerWaalsContact O-N 3.11Å; R841-Y845 HydrophobicContact CG-CD1 4.2Å; R841-Y845 WeakPolarHBondContact O-CB 3.44Å; Y845-N847 PolarHBondContact O-N 3.15Å; Y845-I848 WeakPolarHBondContact O-CB 3.33Å; Y845-I848 PolarHBondContact O-N 2.79Å; Y845-I848 VanDerWaalsContact O-N 3.09Å; Y845-I849 HydrophobicContact CD1-CD1 4.23Å; Y845-I849 HydrophobicContact CD1-CG1 4.1Å; Y845-I849 HydrophobicContact CD1-CG2 4.31Å; Y845-I849 HydrophobicContact CE1-CB 4.49Å; Y845-I849 HydrophobicContact CE1-CD1 3.74Å; Y845-I849 HydrophobicContact CE1-CG1 3.92Å; Y845-I849 HydrophobicContact CE1-CG2 3.74Å; Y845-I849 PolarHBondContact O-N 3.39Å; Y845-I849 VanDerWaalsContact O-N 3.1Å; Y845-L888 HydrophobicContact CD2-CB 4.22Å; Y845-L888 HydrophobicContact CD2-CD1 4.46Å; Y845-L888 HydrophobicContact CD2-CD2 4.33Å; Y845-L888 HydrophobicContact CE2-CB 4.33Å; Y845-N889 HydrophobicContact CE2-CB 4.44Å; Y845-N889 WeakPolarHBondContact CE2-O 3.21Å; Y845-N889 WeakPolarHBondContact OH-CB 3.35Å; Y845-N889 PolarHBondContact OH-O 2.82Å; Y845-R892 WeakPolarHBondContact OH-CB 3.25Å; Y845-I893 HydrophobicContact CD2-CD1 3.35Å; Y845-I893 HydrophobicContact CD2-CG1 3.89Å; Y845-I893 HydrophobicContact CE2-CD1 3.53Å; Y845-I893 HydrophobicContact CE2-CG1 3.68Å; Y845-I893 HydrophobicContact CG-CD1 4.34Å
846	T	90.3	Very high	82.2	Confident	49 Å²	49	38 Å²	38	30%	0.301	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-38.1	-176.4	-61.9	0	0	0	0	111.9	R841 F844 I848 I849 T850	R841-T846 WeakPolarHBondContact O-CB 3.49Å; R841-T846 PolarHBondContact O-N 3.29Å; R841-T846 PolarHBondContact O-OG1 3.49Å; F844-T846 PolarHBondContact O-N 3.38Å; T846-I848 VanDerWaalsContact C-N 3.26Å; T846-I848 PolarHBondContact O-N 2.99Å; T846-I849 PolarHBondContact O-N 3.12Å; T846-T850 HydrophobicContact CG2-CG2 4.06Å; T846-T850 WeakPolarHBondContact O-CB 3.31Å; T846-T850 WeakPolarHBondContact O-CG2 3.45Å; T846-T850 PolarHBondContact O-N 2.78Å; T846-T850 PolarHBondContact O-OG1 2.8Å
847	N	87.9	Confident	81.2	Confident	49 Å²	49	47.6 Å²	47.6	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-56.1	-40.4	171.3	-72.9	-25.2	0	0	0	112.2	N843 Y845 F868 S871	N843-N847 PolarHBondContact O-ND2 3.41Å; Y845-N847 PolarHBondContact O-N 3.15Å; N847-F868 WeakPolarHBondContact O-CD2 3.25Å; N847-F868 VanDerWaalsContact O-CE2 3.23Å; N847-F868 WeakPolarHBondContact O-CE2 3.29Å; N847-S871 PolarHBondContact ND2-OG 2.92Å
848	I	90.5	Very high	79.9	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.6	-55.1	-179.7	-66.5	161.6	0	0	0	111.4	Y845 T846 T850 W851 F868 L872 L875 I893 K896 L920	Y845-I848 WeakPolarHBondContact O-CB 3.33Å; Y845-I848 PolarHBondContact O-N 2.79Å; Y845-I848 VanDerWaalsContact O-N 3.09Å; T846-I848 VanDerWaalsContact C-N 3.26Å; T846-I848 PolarHBondContact O-N 2.99Å; I848-T850 VanDerWaalsContact C-N 3.28Å; I848-T850 PolarHBondContact O-N 3.22Å; I848-W851 PolarHBondContact O-N 3.37Å; I848-F868 HydrophobicContact CB-CE2 4.45Å; I848-F868 HydrophobicContact CG1-CE2 4.33Å; I848-L872 HydrophobicContact CD1-CD2 3.85Å; I848-L872 HydrophobicContact CD1-CG 4.47Å; I848-L872 HydrophobicContact CG1-CD2 3.92Å; I848-L872 HydrophobicContact CG1-CG 4.4Å; I848-L872 HydrophobicContact CG2-CD2 4.44Å; I848-L875 HydrophobicContact CD1-CB 4.45Å; I848-L875 HydrophobicContact CD1-CD1 3.48Å; I848-L875 VanDerWaalsContact CD1-CD1 3.48Å; I848-L875 HydrophobicContact CD1-CG 3.89Å; I848-I893 HydrophobicContact CG2-CG1 4.41Å; I848-I893 HydrophobicContact CG2-CG2 4.5Å; I848-K896 WeakPolarHBondContact O-CG 3.27Å; I848-L920 HydrophobicContact CD1-CD2 4.21Å
849	I	90.3	Very high	78.7	Confident	50 Å²	50	56.5 Å²	56.5	26%	0.256	32%	0.315	S	S	.	.	H	α-helix	trans	-65.7	-30.3	-176.5	56.7	151.2	0	0	0	113.1	Y845 T846 W851 R892 K896	Y845-I849 HydrophobicContact CD1-CD1 4.23Å; Y845-I849 HydrophobicContact CD1-CG1 4.1Å; Y845-I849 HydrophobicContact CD1-CG2 4.31Å; Y845-I849 HydrophobicContact CE1-CB 4.49Å; Y845-I849 HydrophobicContact CE1-CD1 3.74Å; Y845-I849 HydrophobicContact CE1-CG1 3.92Å; Y845-I849 HydrophobicContact CE1-CG2 3.74Å; Y845-I849 PolarHBondContact O-N 3.39Å; Y845-I849 VanDerWaalsContact O-N 3.1Å; T846-I849 PolarHBondContact O-N 3.12Å; I849-W851 PolarHBondContact O-N 3.44Å; I849-R892 HydrophobicContact CG2-CB 4.34Å; I849-K896 VanDerWaalsContact O-CE 3.25Å; I849-K896 WeakPolarHBondContact O-CE 3.47Å; I849-K896 PolarHBondContact O-NZ 3.43Å; I849-K896 VanDerWaalsContact O-NZ 3.08Å
850	T	86.5	Confident	77.6	Confident	72 Å²	72	56.8 Å²	56.8	44%	0.442	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	7.7	179.5	62.9	0	0	0	0	115	T846 I848	T846-T850 HydrophobicContact CG2-CG2 4.06Å; T846-T850 WeakPolarHBondContact O-CB 3.31Å; T846-T850 WeakPolarHBondContact O-CG2 3.45Å; T846-T850 PolarHBondContact O-N 2.78Å; T846-T850 PolarHBondContact O-OG1 2.8Å; I848-T850 VanDerWaalsContact C-N 3.28Å; I848-T850 PolarHBondContact O-N 3.22Å
851	W	84.6	Confident	76.6	Confident	6 Å²	6	60.3 Å²	60.3	2%	0.023	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-55.4	130.4	174	-159.4	-122.6	0	0	0	110.9	I848 I849 I860 R864 F865 F868 K896 I900 M906 Y907	I848-W851 PolarHBondContact O-N 3.37Å; I849-W851 PolarHBondContact O-N 3.44Å; W851-I860 HydrophobicContact CH2-CD1 3.49Å; W851-I860 VanDerWaalsContact CH2-CD1 3.49Å; W851-I860 HydrophobicContact CH2-CG2 4.1Å; W851-I860 HydrophobicContact CZ2-CD1 3.72Å; W851-I860 HydrophobicContact CZ3-CD1 4Å; W851-R864 HydrophobicContact CZ3-CG 4.47Å; W851-F865 HydrophobicContact CH2-CB 4.3Å; W851-F865 AromaticContact CH2-CD2 3.82Å; W851-F865 HydrophobicContact CH2-CD2 3.82Å; W851-F865 AromaticContact CZ2-CD2 3.91Å; W851-F865 HydrophobicContact CZ2-CD2 3.91Å; W851-F868 HydrophobicContact CB-CD2 4.44Å; W851-F868 HydrophobicContact CB-CE2 3.54Å; W851-F868 HydrophobicContact CB-CZ 3.86Å; W851-F868 HydrophobicContact CD2-CD1 4.3Å; W851-F868 AromaticContact CD2-CD2 3.7Å; W851-F868 HydrophobicContact CD2-CD2 3.7Å; W851-F868 HydrophobicContact CD2-CE1 4.2Å; W851-F868 AromaticContact CD2-CE2 3.54Å; W851-F868 HydrophobicContact CD2-CE2 3.54Å; W851-F868 HydrophobicContact CD2-CG 4.06Å; W851-F868 AromaticContact CD2-CZ 3.83Å; W851-F868 HydrophobicContact CD2-CZ 3.83Å; W851-F868 HydrophobicContact CE3-CB 4.07Å; W851-F868 HydrophobicContact CE3-CD1 4.24Å; W851-F868 AromaticContact CE3-CD2 3.13Å; W851-F868 HydrophobicContact CE3-CD2 3.13Å; W851-F868 AromaticContact CE3-CE2 3.45Å; W851-F868 HydrophobicContact CE3-CE2 3.45Å; W851-F868 VanDerWaalsContact CE3-CE2 3.45Å; W851-F868 AromaticContact CE3-CG 3.56Å; W851-F868 HydrophobicContact CE3-CG 3.56Å; W851-F868 HydrophobicContact CE3-CZ 4.16Å; W851-F868 HydrophobicContact CG-CD2 4.27Å; W851-F868 HydrophobicContact CG-CE1 4.39Å; W851-F868 AromaticContact CG-CE2 3.61Å; W851-F868 HydrophobicContact CG-CE2 3.61Å; W851-F868 AromaticContact CG-CZ 3.7Å; W851-F868 HydrophobicContact CG-CZ 3.7Å; W851-F868 HydrophobicContact CH2-CB 4.13Å; W851-F868 HydrophobicContact CH2-CG 4.18Å; W851-F868 HydrophobicContact CZ3-CB 3.64Å; W851-F868 HydrophobicContact CZ3-CD1 4.37Å; W851-F868 AromaticContact CZ3-CD2 3.65Å; W851-F868 HydrophobicContact CZ3-CD2 3.65Å; W851-F868 HydrophobicContact CZ3-CE2 4.36Å; W851-F868 AromaticContact CZ3-CG 3.63Å; W851-F868 HydrophobicContact CZ3-CG 3.63Å; W851-K896 WeakPolarHBondContact O-CE 3.35Å; W851-K896 PolarHBondContact O-NZ 3Å; W851-I900 HydrophobicContact CB-CD1 4.41Å; W851-I900 HydrophobicContact CG-CD1 4.36Å; W851-M906 PolarHBondContact NE1-O 2.79Å; W851-M906 VanDerWaalsContact NE1-O 3.08Å; W851-Y907 HydrophobicContact CZ2-CD2 4.15Å
852	P	77	Confident	75.7	Confident	20 Å²	20	60.3 Å²	60.3	13%	0.13	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-74	150.2	-178.6	32.1	-36.4	0	0	0	112	S856 I860 M906	P852-S856 WeakPolarHBondContact CB-OG 3.49Å; P852-I860 HydrophobicContact CG-CD1 3.67Å; P852-M906 HydrophobicContact CG-CG 4.26Å; P852-M906 HydrophobicContact CG-SD 3.97Å; P852-M906 PolarHBondContact O-N 2.95Å
853	G	71.6	Confident	75.1	Confident	29 Å²	29	61.4 Å²	61.4	30%	0.299	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-76.3	167	172.7	0	0	0	0	0	112.3	S855 S856 K904	G853-S855 PolarHBondContact O-N 3.49Å; G853-S856 PolarHBondContact O-N 2.82Å; G853-S856 VanDerWaalsContact O-N 3.08Å; G853-S856 PolarHBondContact O-OG 3.26Å; G853-K904 CarbonylContact C-O 3.55Å; G853-K904 WeakPolarHBondContact CA-O 3.24Å
854	K	64.7	Low	74.8	Confident	113 Å²	113	65.3 Å²	65.3	49%	0.491	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-20.5	178.2	-79.8	-162.2	171.9	176.3	0	114.6	S856 G903 K904 G905 S908 E909	K854-S856 VanDerWaalsContact C-N 3.35Å; K854-G903 WeakPolarHBondContact CD-O 3.26Å; K854-G903 WeakPolarHBondContact CE-O 3.49Å; K854-G903 PolarHBondContact NZ-O 2.97Å; K854-K904 PolarHBondContact N-O 3.36Å; K854-G905 VanDerWaalsContact CG-O 3.26Å; K854-G905 WeakPolarHBondContact CG-O 3.4Å; K854-S908 WeakPolarHBondContact CE-OG 3.38Å; K854-S908 PolarHBondContact NZ-OG 3.42Å; K854-S908 VanDerWaalsContact NZ-OG 3.15Å; K854-E909 IonicContact NZ-OE1 3.02Å; K854-E909 PolarHBondContact NZ-OE1 2.77Å
855	S	57.9	Low	74.4	Confident	116 Å²	116	65.7 Å²	65.7	81%	0.811	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-8.5	178.7	53	0	0	0	0	115	G853 Q857	G853-S855 PolarHBondContact O-N 3.49Å; S855-Q857 PolarHBondContact O-N 3.5Å
856	S	60.8	Low	74.1	Confident	30 Å²	30	67.5 Å²	67.5	21%	0.21	37%	0.374	C	S	.	.			trans	-78.7	118.2	177	67.1	0	0	0	0	111.6	P852 G853 K854 L858 M906	P852-S856 WeakPolarHBondContact CB-OG 3.49Å; G853-S856 PolarHBondContact O-N 2.82Å; G853-S856 VanDerWaalsContact O-N 3.08Å; G853-S856 PolarHBondContact O-OG 3.26Å; K854-S856 VanDerWaalsContact C-N 3.35Å; S856-L858 PolarHBondContact O-N 3.22Å; S856-M906 PolarHBondContact OG-SD 2.85Å
857	Q	51.7	Low	74	Confident	203 Å²	203	66.2 Å²	66.2	95%	0.949	37%	0.367	S	S	*	.			trans	-69.1	13.6	172	-62.9	175.5	-20.3	0	0	113.9	S855 S859	S855-Q857 PolarHBondContact O-N 3.5Å; Q857-S859 PolarHBondContact O-N 2.84Å
858	L	56.6	Low	74.1	Confident	107 Å²	107	64 Å²	64	56%	0.56	36%	0.356	S	S	*	.			trans	-84.7	110.6	-177.4	-69.1	171.6	0	0	0	110.1	S856 I860 M906	S856-L858 PolarHBondContact O-N 3.22Å; L858-I860 PolarHBondContact O-N 2.83Å; L858-M906 WeakPolarHBondContact O-CE 3.36Å
859	S	59.6	Low	74.1	Confident	120 Å²	120	64.2 Å²	64.2	84%	0.839	36%	0.357	S	S	*	.			trans	-58.4	110.7	163.2	46.4	0	0	0	0	109.5	Q857 S861	Q857-S859 PolarHBondContact O-N 2.84Å; S859-S861 PolarHBondContact O-N 3.41Å
860	I	59.7	Low	74.1	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.062	35%	0.345	C	S	.	.			trans	-77.9	124.2	177.3	-60.2	-170.8	0	0	0	107.7	W851 P852 L858 R864 F865 M906 Y907	W851-I860 HydrophobicContact CH2-CD1 3.49Å; W851-I860 VanDerWaalsContact CH2-CD1 3.49Å; W851-I860 HydrophobicContact CH2-CG2 4.1Å; W851-I860 HydrophobicContact CZ2-CD1 3.72Å; W851-I860 HydrophobicContact CZ3-CD1 4Å; P852-I860 HydrophobicContact CG-CD1 3.67Å; L858-I860 PolarHBondContact O-N 2.83Å; I860-R864 HydrophobicContact CG2-CB 3.79Å; I860-R864 HydrophobicContact CG2-CG 3.99Å; I860-F865 HydrophobicContact CG2-CB 4.28Å; I860-M906 HydrophobicContact CD1-CB 4.12Å; I860-M906 HydrophobicContact CD1-CE 4.32Å; I860-M906 HydrophobicContact CD1-CG 4.42Å; I860-M906 HydrophobicContact CD1-SD 3.59Å; I860-M906 VanDerWaalsContact CD1-SD 3.59Å; I860-M906 HydrophobicContact CG1-CE 4.09Å; I860-M906 HydrophobicContact CG1-SD 3.74Å; I860-Y907 HydrophobicContact CB-CE2 4Å; I860-Y907 HydrophobicContact CD1-CE2 4.07Å; I860-Y907 HydrophobicContact CG1-CE2 4.26Å
861	S	66.7	Low	74.5	Confident	74 Å²	74	58.4 Å²	58.4	52%	0.517	32%	0.324	S	S	.	.			trans	-68.2	145.6	171.1	59.2	0	0	0	0	111	S859 N863 R864 F865	S859-S861 PolarHBondContact O-N 3.41Å; S861-N863 PolarHBondContact O-N 3.46Å; S861-R864 WeakPolarHBondContact O-CA 3.25Å; S861-R864 WeakPolarHBondContact O-CB 3.42Å; S861-R864 PolarHBondContact O-N 3.46Å; S861-F865 PolarHBondContact O-N 2.98Å
862	D	71	Confident	74.9	Confident	101 Å²	101	58.2 Å²	58.2	54%	0.54	32%	0.323	S	S	.	.	H	α-helix	trans	-58.6	-30.6	-174.4	-45.4	-74.2	0	0	0	112.2	R864 F865 R866	D862-R864 VanDerWaalsContact C-N 3.32Å; D862-R864 PolarHBondContact O-N 2.82Å; D862-F865 PolarHBondContact O-N 3.33Å; D862-R866 WeakPolarHBondContact O-CB 3.12Å; D862-R866 PolarHBondContact O-N 2.88Å
863	N	76.9	Confident	75.5	Confident	103 Å²	103	57.6 Å²	57.6	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-61.3	-35.8	172.6	-80	-44.8	0	0	0	113.3	S861 R866 S867	S861-N863 PolarHBondContact O-N 3.46Å; N863-R866 PolarHBondContact OD1-NE 3.18Å; N863-R866 PolarHBondContact OD1-NH2 2.99Å; N863-S867 WeakPolarHBondContact O-CB 3.48Å; N863-S867 PolarHBondContact O-N 2.87Å
864	R	81.3	Confident	76.4	Confident	107 Å²	107	56.2 Å²	56.2	40%	0.404	30%	0.304	S	S	.	.	H	α-helix	trans	-75.8	-38.3	176.1	-177.4	174.4	-177.4	-165.3	0.8	111.6	W851 I860 S861 D862 F868	W851-R864 HydrophobicContact CZ3-CG 4.47Å; I860-R864 HydrophobicContact CG2-CB 3.79Å; I860-R864 HydrophobicContact CG2-CG 3.99Å; S861-R864 WeakPolarHBondContact O-CA 3.25Å; S861-R864 WeakPolarHBondContact O-CB 3.42Å; S861-R864 PolarHBondContact O-N 3.46Å; D862-R864 VanDerWaalsContact C-N 3.32Å; D862-R864 PolarHBondContact O-N 2.82Å; R864-F868 WeakPolarHBondContact O-CB 3.29Å; R864-F868 PolarHBondContact O-N 2.83Å
865	F	84.5	Confident	77.8	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.035	28%	0.281	C	S	.	.	H	α-helix	trans	-67.1	-43.5	172.9	179.6	-121	0	0	0	112.2	F516 W851 I860 S861 D862 F868 L869 Y907 L913	F516-F865 HydrophobicContact CE1-CE1 4.42Å; F516-F865 HydrophobicContact CE2-CD1 4.48Å; F516-F865 HydrophobicContact CE2-CE1 4.28Å; F516-F865 HydrophobicContact CZ-CD1 4.42Å; F516-F865 AromaticContact CZ-CE1 3.84Å; F516-F865 HydrophobicContact CZ-CE1 3.84Å; W851-F865 HydrophobicContact CH2-CB 4.3Å; W851-F865 AromaticContact CH2-CD2 3.82Å; W851-F865 HydrophobicContact CH2-CD2 3.82Å; W851-F865 AromaticContact CZ2-CD2 3.91Å; W851-F865 HydrophobicContact CZ2-CD2 3.91Å; I860-F865 HydrophobicContact CG2-CB 4.28Å; S861-F865 PolarHBondContact O-N 2.98Å; D862-F865 PolarHBondContact O-N 3.33Å; F865-F868 WeakPolarHBondContact O-CA 3.15Å; F865-F868 VanDerWaalsContact O-CB 3.28Å; F865-F868 WeakPolarHBondContact O-CB 3.37Å; F865-F868 PolarHBondContact O-N 3.47Å; F865-F868 VanDerWaalsContact O-N 3.14Å; F865-L869 HydrophobicContact CD1-CD1 4.27Å; F865-L869 HydrophobicContact CE1-CD1 3.76Å; F865-L869 HydrophobicContact CE1-CG 4.38Å; F865-L869 HydrophobicContact CE2-CD1 4.42Å; F865-L869 HydrophobicContact CE2-CD2 4.15Å; F865-L869 HydrophobicContact CE2-CG 4.19Å; F865-L869 HydrophobicContact CZ-CD1 3.85Å; F865-L869 HydrophobicContact CZ-CD2 4.1Å; F865-L869 HydrophobicContact CZ-CG 4.1Å; F865-L869 PolarHBondContact O-N 3.24Å; F865-Y907 HydrophobicContact CD2-CD2 4.48Å; F865-L913 HydrophobicContact CE2-CB 4.16Å; F865-L913 HydrophobicContact CE2-CD1 4.46Å; F865-L913 HydrophobicContact CE2-CD2 4.35Å; F865-L913 HydrophobicContact CZ-CB 4.21Å
866	R	86.5	Confident	79.2	Confident	48 Å²	48	45.4 Å²	45.4	18%	0.181	24%	0.243	C	C	.	.	H	α-helix	trans	-59.9	-46.9	172.6	-175.6	-177.3	59.5	62.9	5.3	111.7	L797 S798 G800 D862 N863 F868 L869 V870	L797-R866 PolarHBondContact O-NH1 2.99Å; S798-R866 PolarHBondContact O-NH2 2.9Å; G800-R866 VanDerWaalsContact O-CD 3.25Å; G800-R866 WeakPolarHBondContact O-CD 3.16Å; G800-R866 WeakPolarHBondContact O-CG 3.25Å; G800-R866 PolarHBondContact O-NH1 2.94Å; D862-R866 WeakPolarHBondContact O-CB 3.12Å; D862-R866 PolarHBondContact O-N 2.88Å; N863-R866 PolarHBondContact OD1-NE 3.18Å; N863-R866 PolarHBondContact OD1-NH2 2.99Å; R866-F868 PolarHBondContact O-N 3.13Å; R866-L869 PolarHBondContact O-N 2.98Å; R866-V870 WeakPolarHBondContact O-CB 3.22Å; R866-V870 WeakPolarHBondContact O-CG2 3.25Å; R866-V870 PolarHBondContact O-N 3.07Å
867	S	86.8	Confident	80.2	Confident	22 Å²	22	47.6 Å²	47.6	15%	0.154	25%	0.25	C	S	.	.	H	α-helix	trans	-58.2	-36.2	174.4	-176.7	0	0	0	0	112.1	L797 N863 S871	L797-S867 WeakPolarHBondContact CD2-OG 3.46Å; N863-S867 WeakPolarHBondContact O-CB 3.48Å; N863-S867 PolarHBondContact O-N 2.87Å; S867-S871 WeakPolarHBondContact O-CB 3.33Å; S867-S871 PolarHBondContact O-N 2.87Å; S867-S871 PolarHBondContact O-OG 3.09Å
868	F	90.3	Very high	81.9	Confident	3 Å²	3	38 Å²	38	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-67	-50	174.8	-170.9	-93.2	0	0	0	113.2	N847 I848 W851 R864 F865 R866 V870 S871 L872 I900 L913	N847-F868 WeakPolarHBondContact O-CD2 3.25Å; N847-F868 VanDerWaalsContact O-CE2 3.23Å; N847-F868 WeakPolarHBondContact O-CE2 3.29Å; I848-F868 HydrophobicContact CB-CE2 4.45Å; I848-F868 HydrophobicContact CG1-CE2 4.33Å; W851-F868 HydrophobicContact CB-CD2 4.44Å; W851-F868 HydrophobicContact CB-CE2 3.54Å; W851-F868 HydrophobicContact CB-CZ 3.86Å; W851-F868 HydrophobicContact CD2-CD1 4.3Å; W851-F868 AromaticContact CD2-CD2 3.7Å; W851-F868 HydrophobicContact CD2-CD2 3.7Å; W851-F868 HydrophobicContact CD2-CE1 4.2Å; W851-F868 AromaticContact CD2-CE2 3.54Å; W851-F868 HydrophobicContact CD2-CE2 3.54Å; W851-F868 HydrophobicContact CD2-CG 4.06Å; W851-F868 AromaticContact CD2-CZ 3.83Å; W851-F868 HydrophobicContact CD2-CZ 3.83Å; W851-F868 HydrophobicContact CE3-CB 4.07Å; W851-F868 HydrophobicContact CE3-CD1 4.24Å; W851-F868 AromaticContact CE3-CD2 3.13Å; W851-F868 HydrophobicContact CE3-CD2 3.13Å; W851-F868 AromaticContact CE3-CE2 3.45Å; W851-F868 HydrophobicContact CE3-CE2 3.45Å; W851-F868 VanDerWaalsContact CE3-CE2 3.45Å; W851-F868 AromaticContact CE3-CG 3.56Å; W851-F868 HydrophobicContact CE3-CG 3.56Å; W851-F868 HydrophobicContact CE3-CZ 4.16Å; W851-F868 HydrophobicContact CG-CD2 4.27Å; W851-F868 HydrophobicContact CG-CE1 4.39Å; W851-F868 AromaticContact CG-CE2 3.61Å; W851-F868 HydrophobicContact CG-CE2 3.61Å; W851-F868 AromaticContact CG-CZ 3.7Å; W851-F868 HydrophobicContact CG-CZ 3.7Å; W851-F868 HydrophobicContact CH2-CB 4.13Å; W851-F868 HydrophobicContact CH2-CG 4.18Å; W851-F868 HydrophobicContact CZ3-CB 3.64Å; W851-F868 HydrophobicContact CZ3-CD1 4.37Å; W851-F868 AromaticContact CZ3-CD2 3.65Å; W851-F868 HydrophobicContact CZ3-CD2 3.65Å; W851-F868 HydrophobicContact CZ3-CE2 4.36Å; W851-F868 AromaticContact CZ3-CG 3.63Å; W851-F868 HydrophobicContact CZ3-CG 3.63Å; R864-F868 WeakPolarHBondContact O-CB 3.29Å; R864-F868 PolarHBondContact O-N 2.83Å; F865-F868 WeakPolarHBondContact O-CA 3.15Å; F865-F868 VanDerWaalsContact O-CB 3.28Å; F865-F868 WeakPolarHBondContact O-CB 3.37Å; F865-F868 PolarHBondContact O-N 3.47Å; F865-F868 VanDerWaalsContact O-N 3.14Å; R866-F868 PolarHBondContact O-N 3.13Å; F868-V870 VanDerWaalsContact C-N 3.31Å; F868-V870 PolarHBondContact O-N 2.85Å; F868-S871 WeakPolarHBondContact O-CA 3.45Å; F868-S871 WeakPolarHBondContact O-CB 3.12Å; F868-S871 PolarHBondContact O-N 3.46Å; F868-L872 HydrophobicContact CD1-CD1 4.03Å; F868-L872 HydrophobicContact CD1-CG 4.37Å; F868-L872 HydrophobicContact CE1-CD1 3.65Å; F868-L872 HydrophobicContact CE1-CG 4.04Å; F868-L872 PolarHBondContact O-N 3.1Å; F868-I900 HydrophobicContact CE1-CD1 4.27Å; F868-I900 HydrophobicContact CZ-CD1 3.77Å; F868-L913 HydrophobicContact CD1-CD1 3.92Å; F868-L913 HydrophobicContact CE1-CD1 3.58Å
869	L	90.7	Very high	83.1	Confident	5 Å²	5	33.3 Å²	33.3	3%	0.026	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-43.1	174.6	-65.3	178	0	0	0	111.4	V802 F865 R866 S871 L872 I873 V912 L913 C916	V802-L869 HydrophobicContact CG2-CB 4.33Å; F865-L869 HydrophobicContact CD1-CD1 4.27Å; F865-L869 HydrophobicContact CE1-CD1 3.76Å; F865-L869 HydrophobicContact CE1-CG 4.38Å; F865-L869 HydrophobicContact CE2-CD1 4.42Å; F865-L869 HydrophobicContact CE2-CD2 4.15Å; F865-L869 HydrophobicContact CE2-CG 4.19Å; F865-L869 HydrophobicContact CZ-CD1 3.85Å; F865-L869 HydrophobicContact CZ-CD2 4.1Å; F865-L869 HydrophobicContact CZ-CG 4.1Å; F865-L869 PolarHBondContact O-N 3.24Å; R866-L869 PolarHBondContact O-N 2.98Å; L869-S871 VanDerWaalsContact C-N 3.29Å; L869-S871 PolarHBondContact O-N 3.45Å; L869-L872 PolarHBondContact O-N 3.47Å; L869-I873 WeakPolarHBondContact O-CD1 3.01Å; L869-I873 VanDerWaalsContact O-CG1 3.3Å; L869-I873 WeakPolarHBondContact O-CG1 3.28Å; L869-I873 PolarHBondContact O-N 3.19Å; L869-V912 HydrophobicContact CD1-CG1 3.93Å; L869-V912 HydrophobicContact CD2-CG1 4.43Å; L869-L913 HydrophobicContact CD2-CB 4.21Å; L869-L913 HydrophobicContact CD2-CD1 4.16Å; L869-C916 HydrophobicContact CD2-CB 4.34Å
870	V	91	Very high	83.9	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.1	-39.6	173.3	168.9	0	0	0	0	111.2	L796 L797 V802 L813 R866 F868 A874	L796-V870 HydrophobicContact CD1-CG1 4.1Å; L796-V870 HydrophobicContact CD2-CG1 4.36Å; L796-V870 HydrophobicContact CG-CG1 3.69Å; L797-V870 HydrophobicContact CD2-CG1 4.31Å; V802-V870 HydrophobicContact CG2-CG2 4.05Å; L813-V870 HydrophobicContact CD2-CG1 4.39Å; L813-V870 HydrophobicContact CD2-CG2 3.92Å; R866-V870 WeakPolarHBondContact O-CB 3.22Å; R866-V870 WeakPolarHBondContact O-CG2 3.25Å; R866-V870 PolarHBondContact O-N 3.07Å; F868-V870 VanDerWaalsContact C-N 3.31Å; F868-V870 PolarHBondContact O-N 2.85Å; V870-A874 WeakPolarHBondContact O-CB 3.49Å; V870-A874 PolarHBondContact O-N 3.24Å
871	S	94.3	Very high	84.4	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-39.6	177.5	-59.7	0	0	0	0	112.7	L797 N847 S867 F868 L869 A874 L875	L797-S871 VanDerWaalsContact CD2-OG 3.31Å; L797-S871 WeakPolarHBondContact CD2-OG 3.39Å; N847-S871 PolarHBondContact ND2-OG 2.92Å; S867-S871 WeakPolarHBondContact O-CB 3.33Å; S867-S871 PolarHBondContact O-N 2.87Å; S867-S871 PolarHBondContact O-OG 3.09Å; F868-S871 WeakPolarHBondContact O-CA 3.45Å; F868-S871 WeakPolarHBondContact O-CB 3.12Å; F868-S871 PolarHBondContact O-N 3.46Å; L869-S871 VanDerWaalsContact C-N 3.29Å; L869-S871 PolarHBondContact O-N 3.45Å; S871-A874 PolarHBondContact O-N 2.76Å; S871-L875 PolarHBondContact O-N 3.15Å
872	L	93.3	Very high	84.4	Confident	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-61.8	-50	173.7	-72.7	174.4	0	0	0	111.4	I848 F868 L869 A874 L875 A876 L897 L913 C916 L920	I848-L872 HydrophobicContact CD1-CD2 3.85Å; I848-L872 HydrophobicContact CD1-CG 4.47Å; I848-L872 HydrophobicContact CG1-CD2 3.92Å; I848-L872 HydrophobicContact CG1-CG 4.4Å; I848-L872 HydrophobicContact CG2-CD2 4.44Å; F868-L872 HydrophobicContact CD1-CD1 4.03Å; F868-L872 HydrophobicContact CD1-CG 4.37Å; F868-L872 HydrophobicContact CE1-CD1 3.65Å; F868-L872 HydrophobicContact CE1-CG 4.04Å; F868-L872 PolarHBondContact O-N 3.1Å; L869-L872 PolarHBondContact O-N 3.47Å; L872-A874 VanDerWaalsContact C-N 3.3Å; L872-A874 PolarHBondContact O-N 3.43Å; L872-L875 PolarHBondContact O-N 3.18Å; L872-A876 WeakPolarHBondContact O-CB 3.18Å; L872-A876 PolarHBondContact O-N 3.37Å; L872-L897 HydrophobicContact CD2-CD2 3.7Å; L872-L913 HydrophobicContact CD1-CD1 3.95Å; L872-C916 HydrophobicContact CB-CB 3.92Å; L872-C916 HydrophobicContact CD1-CB 3.55Å; L872-C916 HydrophobicContact CG-CB 4.4Å; L872-L920 HydrophobicContact CD2-CD2 3.69Å
873	I	90.4	Very high	84.3	Confident	7 Å²	7	30.1 Å²	30.1	4%	0.036	16%	0.159	C	C	.	.	H	α-helix	trans	-63.6	-39	178.2	-59.2	160.5	0	0	0	110.4	V802 V811 L813 L821 L869 A876 Q877	V802-I873 HydrophobicContact CG1-CD1 4.07Å; V802-I873 HydrophobicContact CG2-CD1 3.99Å; V811-I873 HydrophobicContact CG1-CD1 4.08Å; L813-I873 HydrophobicContact CD1-CG2 4.43Å; L813-I873 HydrophobicContact CG-CG2 4.03Å; L821-I873 HydrophobicContact CD2-CG2 4.19Å; L869-I873 WeakPolarHBondContact O-CD1 3.01Å; L869-I873 VanDerWaalsContact O-CG1 3.3Å; L869-I873 WeakPolarHBondContact O-CG1 3.28Å; L869-I873 PolarHBondContact O-N 3.19Å; I873-A876 PolarHBondContact O-N 2.99Å; I873-Q877 PolarHBondContact O-N 2.94Å; I873-Q877 VanDerWaalsContact O-N 3.11Å
874	A	90.6	Very high	84.1	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-50.7	176.6	0	0	0	0	0	111.9	L821 F844 V870 S871 L872 A876 Q877 L878	L821-A874 HydrophobicContact CD1-CB 3.93Å; F844-A874 HydrophobicContact CD1-CB 3.68Å; F844-A874 HydrophobicContact CD2-CB 4.31Å; F844-A874 HydrophobicContact CE1-CB 3.67Å; F844-A874 HydrophobicContact CE2-CB 4.29Å; F844-A874 HydrophobicContact CG-CB 4.01Å; F844-A874 HydrophobicContact CZ-CB 3.99Å; V870-A874 WeakPolarHBondContact O-CB 3.49Å; V870-A874 PolarHBondContact O-N 3.24Å; S871-A874 PolarHBondContact O-N 2.76Å; L872-A874 VanDerWaalsContact C-N 3.3Å; L872-A874 PolarHBondContact O-N 3.43Å; A874-A876 VanDerWaalsContact C-N 3.32Å; A874-A876 PolarHBondContact O-N 3.42Å; A874-Q877 PolarHBondContact O-N 3.38Å; A874-L878 WeakPolarHBondContact O-CB 3.43Å; A874-L878 VanDerWaalsContact O-CG 3.25Å; A874-L878 WeakPolarHBondContact O-CG 3.22Å; A874-L878 PolarHBondContact O-N 2.98Å
875	L	92.2	Very high	84.1	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-35.9	176.2	-69.6	-158.5	0	0	0	112.6	V840 F844 I848 S871 L872 Q877 L878 A879 F885 I893 L920	V840-L875 HydrophobicContact CG1-CD2 3.63Å; F844-L875 HydrophobicContact CB-CD2 3.61Å; F844-L875 HydrophobicContact CB-CG 4.07Å; F844-L875 HydrophobicContact CG-CD2 4.48Å; I848-L875 HydrophobicContact CD1-CB 4.45Å; I848-L875 HydrophobicContact CD1-CD1 3.48Å; I848-L875 VanDerWaalsContact CD1-CD1 3.48Å; I848-L875 HydrophobicContact CD1-CG 3.89Å; S871-L875 PolarHBondContact O-N 3.15Å; L872-L875 PolarHBondContact O-N 3.18Å; L875-Q877 PolarHBondContact O-N 3.1Å; L875-L878 PolarHBondContact O-N 2.86Å; L875-A879 VanDerWaalsContact O-CB 3.27Å; L875-A879 WeakPolarHBondContact O-CB 3.21Å; L875-A879 PolarHBondContact O-N 3.1Å; L875-F885 HydrophobicContact CB-CE2 4.45Å; L875-F885 HydrophobicContact CB-CZ 4.38Å; L875-F885 HydrophobicContact CD2-CE2 4.12Å; L875-I893 HydrophobicContact CD1-CD1 3.51Å; L875-L920 HydrophobicContact CB-CD1 3.95Å; L875-L920 HydrophobicContact CB-CD2 4.23Å
876	A	87.3	Confident	83.7	Confident	3 Å²	3	23.3 Å²	23.3	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-63.3	-31.9	178.5	0	0	0	0	0	112.4	L872 I873 A874 L920 R923	L872-A876 WeakPolarHBondContact O-CB 3.18Å; L872-A876 PolarHBondContact O-N 3.37Å; I873-A876 PolarHBondContact O-N 2.99Å; A874-A876 VanDerWaalsContact C-N 3.32Å; A874-A876 PolarHBondContact O-N 3.42Å; A876-L920 HydrophobicContact CB-CB 4.31Å; A876-L920 HydrophobicContact CB-CD1 4.19Å; A876-R923 HydrophobicContact CB-CG 4.18Å; A876-R923 VanDerWaalsContact O-CD 3.23Å; A876-R923 WeakPolarHBondContact O-CD 3.47Å; A876-R923 VanDerWaalsContact O-CG 3.25Å; A876-R923 WeakPolarHBondContact O-CG 3.39Å
877	Q	83.8	Confident	83.5	Confident	76 Å²	76	25.3 Å²	25.3	36%	0.355	15%	0.148	S	C	.	.	H	α-helix	trans	-86.1	-32.7	177	-124.7	71.3	-1.7	0	0	113.3	L821 I873 A874 L875 A879	L821-Q877 HydrophobicContact CD1-CB 4.4Å; L821-Q877 HydrophobicContact CD2-CB 3.67Å; L821-Q877 HydrophobicContact CD2-CG 4.09Å; L821-Q877 HydrophobicContact CG-CB 4Å; L821-Q877 HydrophobicContact CG-CG 4.41Å; I873-Q877 PolarHBondContact O-N 2.94Å; I873-Q877 VanDerWaalsContact O-N 3.11Å; A874-Q877 PolarHBondContact O-N 3.38Å; L875-Q877 PolarHBondContact O-N 3.1Å; Q877-A879 VanDerWaalsContact C-N 3.31Å
878	L	85.4	Confident	83.3	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-77.9	-13.7	175.5	-65.4	175.9	0	0	0	113.4	L821 L824 E825 F828 V840 F844 A874 L875 D880 F885	L821-L878 HydrophobicContact CD1-CG 4.37Å; L824-L878 HydrophobicContact CB-CD2 4.46Å; E825-L878 HydrophobicContact CB-CD2 4.13Å; F828-L878 HydrophobicContact CB-CD2 3.96Å; F828-L878 HydrophobicContact CG-CD2 4.33Å; V840-L878 HydrophobicContact CG1-CD1 4.3Å; V840-L878 HydrophobicContact CG2-CD1 3.98Å; F844-L878 HydrophobicContact CD2-CD1 4.1Å; F844-L878 HydrophobicContact CE2-CD1 4.1Å; A874-L878 WeakPolarHBondContact O-CB 3.43Å; A874-L878 VanDerWaalsContact O-CG 3.25Å; A874-L878 WeakPolarHBondContact O-CG 3.22Å; A874-L878 PolarHBondContact O-N 2.98Å; L875-L878 PolarHBondContact O-N 2.86Å; L878-D880 PolarHBondContact O-N 2.91Å; L878-F885 HydrophobicContact CB-CD2 4.14Å; L878-F885 HydrophobicContact CB-CE2 4.05Å; L878-F885 VanDerWaalsContact O-CD2 3.23Å; L878-F885 WeakPolarHBondContact O-CD2 3.43Å
879	A	83.7	Confident	83.1	Confident	8 Å²	8	30.1 Å²	30.1	7%	0.066	17%	0.171	C	C	.	.			trans	-68.3	95.4	178.3	0	0	0	0	0	112.1	L875 Q877 F885 R923 W927	L875-A879 VanDerWaalsContact O-CB 3.27Å; L875-A879 WeakPolarHBondContact O-CB 3.21Å; L875-A879 PolarHBondContact O-N 3.1Å; Q877-A879 VanDerWaalsContact C-N 3.31Å; A879-F885 HydrophobicContact CB-CD1 4.21Å; A879-F885 HydrophobicContact CB-CE1 3.65Å; A879-F885 HydrophobicContact CB-CE2 4.16Å; A879-F885 HydrophobicContact CB-CZ 3.63Å; A879-R923 HydrophobicContact CB-CB 4.08Å; A879-W927 HydrophobicContact CB-CH2 4.24Å; A879-W927 HydrophobicContact CB-CZ3 4.25Å
880	D	76.4	Confident	82.9	Confident	32 Å²	32	30 Å²	30	17%	0.171	17%	0.171	C	C	.	.			trans	-134.1	121.2	175.7	-170.4	-45.7	0	0	0	110.6	K829 L878 T882 T883	K829-D880 WeakPolarHBondContact CE-OD2 3.3Å; K829-D880 IonicContact NZ-OD2 3.18Å; K829-D880 PolarHBondContact NZ-OD2 2.77Å; L878-D880 PolarHBondContact O-N 2.91Å; D880-T882 PolarHBondContact O-N 2.89Å; D880-T882 WeakPolarHBondContact OD1-CB 3.3Å; D880-T882 PolarHBondContact OD1-N 2.7Å; D880-T882 PolarHBondContact OD1-OG1 2.82Å; D880-T883 HydrophobicContact CB-CG2 3.78Å; D880-T883 PolarHBondContact O-N 3.37Å; D880-T883 VanDerWaalsContact O-N 3.12Å; D880-T883 PolarHBondContact O-OG1 2.81Å
881	P	68.4	Low	82.7	Confident	80 Å²	80	32.5 Å²	32.5	52%	0.519	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.3	-176.3	29.1	-36.1	0	0	0	114.4	T883 W927	P881-T883 VanDerWaalsContact C-N 3.34Å; P881-W927 VanDerWaalsContact CA-CZ2 3.49Å; P881-W927 HydrophobicContact CB-CH2 4.33Å; P881-W927 HydrophobicContact CB-CZ2 3.94Å
882	T	68.2	Low	82.6	Confident	119 Å²	119	39.8 Å²	39.8	73%	0.73	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-9.6	175.2	67.5	0	0	0	0	113.4	D880	D880-T882 PolarHBondContact O-N 2.89Å; D880-T882 WeakPolarHBondContact OD1-CB 3.3Å; D880-T882 PolarHBondContact OD1-N 2.7Å; D880-T882 PolarHBondContact OD1-OG1 2.82Å
883	T	68.6	Low	82.5	Confident	9 Å²	9	39.8 Å²	39.8	6%	0.055	21%	0.212	C	C	.	.	S	Bend	trans	-107.1	171.4	-173.5	68.8	0	0	0	0	112.5	F828 K829 D880 P881 F885 C886	F828-T883 HydrophobicContact CD1-CG2 4.42Å; F828-T883 WeakPolarHBondContact CE1-OG1 3.2Å; K829-T883 HydrophobicContact CG-CG2 3.68Å; D880-T883 HydrophobicContact CB-CG2 3.78Å; D880-T883 PolarHBondContact O-N 3.37Å; D880-T883 VanDerWaalsContact O-N 3.12Å; D880-T883 PolarHBondContact O-OG1 2.81Å; P881-T883 VanDerWaalsContact C-N 3.34Å; T883-F885 PolarHBondContact O-N 2.59Å; T883-F885 WeakPolarHBondContact OG1-CB 3.49Å; T883-F885 PolarHBondContact OG1-N 2.81Å; T883-C886 PolarHBondContact O-SG 3.06Å; T883-C886 VanDerWaalsContact O-SG 3.33Å
884	A	73	Confident	82.6	Confident	6 Å²	6	39.6 Å²	39.6	5%	0.05	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.2	2.8	175.1	0	0	0	0	0	114.8	F828 V837 C886 Q887	F828-A884 HydrophobicContact CZ-CB 4.42Å; V837-A884 HydrophobicContact CG2-CB 3.38Å; A884-C886 PolarHBondContact O-N 3.3Å; A884-Q887 VanDerWaalsContact O-CB 3.31Å; A884-Q887 WeakPolarHBondContact O-CB 3.29Å; A884-Q887 WeakPolarHBondContact O-CG 3.38Å; A884-Q887 PolarHBondContact O-N 3.3Å
885	F	80.4	Confident	82.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-56.3	-32.4	173	-166.9	-93.1	0	0	0	112.2	F828 L875 L878 A879 T883 Q887 L888 L890 L924 W927	F828-F885 HydrophobicContact CE1-CB 3.81Å; F828-F885 HydrophobicContact CE1-CD2 4.45Å; F828-F885 HydrophobicContact CZ-CB 4.3Å; L875-F885 HydrophobicContact CB-CE2 4.45Å; L875-F885 HydrophobicContact CB-CZ 4.38Å; L875-F885 HydrophobicContact CD2-CE2 4.12Å; L878-F885 HydrophobicContact CB-CD2 4.14Å; L878-F885 HydrophobicContact CB-CE2 4.05Å; L878-F885 VanDerWaalsContact O-CD2 3.23Å; L878-F885 WeakPolarHBondContact O-CD2 3.43Å; A879-F885 HydrophobicContact CB-CD1 4.21Å; A879-F885 HydrophobicContact CB-CE1 3.65Å; A879-F885 HydrophobicContact CB-CE2 4.16Å; A879-F885 HydrophobicContact CB-CZ 3.63Å; T883-F885 PolarHBondContact O-N 2.59Å; T883-F885 WeakPolarHBondContact OG1-CB 3.49Å; T883-F885 PolarHBondContact OG1-N 2.81Å; F885-Q887 PolarHBondContact O-N 3.41Å; F885-Q887 VanDerWaalsContact O-N 3.12Å; F885-L888 HydrophobicContact CD2-CD1 3.94Å; F885-L888 HydrophobicContact CE2-CD1 3.95Å; F885-L888 HydrophobicContact CG-CD1 4.31Å; F885-L888 HydrophobicContact CZ-CD1 4.32Å; F885-L888 WeakPolarHBondContact O-CB 3.28Å; F885-L888 PolarHBondContact O-N 3.32Å; F885-L888 VanDerWaalsContact O-N 3.1Å; F885-L890 HydrophobicContact CD1-CD1 4.21Å; F885-L890 HydrophobicContact CD1-CD2 4.05Å; F885-L890 HydrophobicContact CE1-CD1 4.19Å; F885-L890 HydrophobicContact CE1-CD2 3.52Å; F885-L890 HydrophobicContact CZ-CD2 4.17Å; F885-L924 HydrophobicContact CE1-CD2 4.01Å; F885-W927 AromaticContact CD1-CH2 3.77Å; F885-W927 HydrophobicContact CD1-CH2 3.77Å; F885-W927 AromaticContact CD1-CZ2 3.87Å; F885-W927 HydrophobicContact CD1-CZ2 3.87Å; F885-W927 HydrophobicContact CE1-CH2 4.2Å
886	C	77.1	Confident	82.5	Confident	68 Å²	68	48.8 Å²	48.8	46%	0.459	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-62.1	-14.4	176.7	64.4	0	0	0	0	114.4	T883 A884 L888	T883-C886 PolarHBondContact O-SG 3.06Å; T883-C886 VanDerWaalsContact O-SG 3.33Å; A884-C886 PolarHBondContact O-N 3.3Å; C886-L888 VanDerWaalsContact C-N 3.33Å
887	Q	81	Confident	82.7	Confident	91 Å²	91	48.7 Å²	48.7	43%	0.425	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-82.5	-8.9	176.7	-56.9	177.1	12.7	0	0	112.9	L834 V837 A884 F885	L834-Q887 VanDerWaalsContact CD2-OE1 3.28Å; V837-Q887 HydrophobicContact CG1-CB 4.07Å; A884-Q887 VanDerWaalsContact O-CB 3.31Å; A884-Q887 WeakPolarHBondContact O-CB 3.29Å; A884-Q887 WeakPolarHBondContact O-CG 3.38Å; A884-Q887 PolarHBondContact O-N 3.3Å; F885-Q887 PolarHBondContact O-N 3.41Å; F885-Q887 VanDerWaalsContact O-N 3.12Å
888	L	84.1	Confident	83	Confident	13 Å²	13	46.2 Å²	46.2	7%	0.068	23%	0.234	C	C	.	.	S	Bend	trans	-74	150.7	173.3	-63.3	173.6	0	0	0	110.7	V837 V840 R841 Y845 F885 C886 L890	V837-L888 HydrophobicContact CG1-CD2 3.91Å; V837-L888 HydrophobicContact CG1-CG 4.38Å; V840-L888 HydrophobicContact CG1-CD1 3.94Å; R841-L888 HydrophobicContact CB-CD2 3.95Å; R841-L888 HydrophobicContact CG-CD2 4.49Å; Y845-L888 HydrophobicContact CD2-CB 4.22Å; Y845-L888 HydrophobicContact CD2-CD1 4.46Å; Y845-L888 HydrophobicContact CD2-CD2 4.33Å; Y845-L888 HydrophobicContact CE2-CB 4.33Å; F885-L888 HydrophobicContact CD2-CD1 3.94Å; F885-L888 HydrophobicContact CE2-CD1 3.95Å; F885-L888 HydrophobicContact CG-CD1 4.31Å; F885-L888 HydrophobicContact CZ-CD1 4.32Å; F885-L888 WeakPolarHBondContact O-CB 3.28Å; F885-L888 PolarHBondContact O-N 3.32Å; F885-L888 VanDerWaalsContact O-N 3.1Å; C886-L888 VanDerWaalsContact C-N 3.33Å; L888-L890 HydrophobicContact CB-CD2 3.83Å; L888-L890 HydrophobicContact CB-CG 4.31Å; L888-L890 PolarHBondContact O-N 2.76Å
889	N	84.9	Confident	83.2	Confident	112 Å²	112	49 Å²	49	60%	0.599	25%	0.25	S	C	*	.			trans	-76.5	69.4	175.2	-82	-62.7	0	0	0	110.9	Y845 D891 R892	Y845-N889 HydrophobicContact CE2-CB 4.44Å; Y845-N889 WeakPolarHBondContact CE2-O 3.21Å; Y845-N889 WeakPolarHBondContact OH-CB 3.35Å; Y845-N889 PolarHBondContact OH-O 2.82Å; N889-D891 PolarHBondContact O-N 3.33Å; N889-R892 PolarHBondContact O-N 3.26Å
890	L	86.1	Confident	83.4	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-34.5	-170	-65.9	-176.7	0	0	0	114	F885 L888 R892 I893 V894 L924 W927 Y928	F885-L890 HydrophobicContact CD1-CD1 4.21Å; F885-L890 HydrophobicContact CD1-CD2 4.05Å; F885-L890 HydrophobicContact CE1-CD1 4.19Å; F885-L890 HydrophobicContact CE1-CD2 3.52Å; F885-L890 HydrophobicContact CZ-CD2 4.17Å; L888-L890 HydrophobicContact CB-CD2 3.83Å; L888-L890 HydrophobicContact CB-CG 4.31Å; L888-L890 PolarHBondContact O-N 2.76Å; L890-R892 PolarHBondContact O-N 2.96Å; L890-I893 HydrophobicContact CD2-CD1 4.24Å; L890-I893 WeakPolarHBondContact O-CA 3.27Å; L890-I893 WeakPolarHBondContact O-CB 3.28Å; L890-I893 PolarHBondContact O-N 2.75Å; L890-V894 PolarHBondContact O-N 3.3Å; L890-L924 HydrophobicContact CD1-CD2 4.08Å; L890-L924 HydrophobicContact CD2-CD2 3.99Å; L890-L924 HydrophobicContact CG-CD2 4.44Å; L890-W927 HydrophobicContact CD1-CB 4.28Å; L890-W927 HydrophobicContact CD1-CD2 3.78Å; L890-W927 HydrophobicContact CD1-CE3 4.34Å; L890-W927 HydrophobicContact CD1-CG 3.79Å; L890-W927 HydrophobicContact CD1-CZ2 4.47Å; L890-Y928 HydrophobicContact CB-CD2 4.36Å; L890-Y928 HydrophobicContact CB-CE2 3.47Å; L890-Y928 VanDerWaalsContact CB-CE2 3.47Å; L890-Y928 HydrophobicContact CD1-CE2 4.4Å
891	D	88.4	Confident	83.8	Confident	53 Å²	53	47.4 Å²	47.4	28%	0.283	24%	0.24	S	C	.	.	H	α-helix	trans	-52.4	-40.5	173.3	161.6	70.9	0	0	0	112.6	N889 I893 V894 R895 Y928	N889-D891 PolarHBondContact O-N 3.33Å; D891-I893 VanDerWaalsContact C-N 3.32Å; D891-I893 PolarHBondContact O-N 3.15Å; D891-V894 PolarHBondContact O-N 3.34Å; D891-R895 VanDerWaalsContact CG-NE 3.33Å; D891-R895 VanDerWaalsContact CG-NH2 3.27Å; D891-R895 WeakPolarHBondContact O-CG 3.23Å; D891-R895 PolarHBondContact O-N 2.91Å; D891-R895 IonicContact OD1-CZ 2.74Å; D891-R895 IonicContact OD1-NE 2.9Å; D891-R895 PolarHBondContact OD1-NE 2.7Å; D891-R895 IonicContact OD1-NH2 4Å; D891-R895 PolarHBondContact OD1-NH2 2.9Å; D891-R895 VanDerWaalsContact OD1-NH2 3.1Å; D891-R895 IonicContact OD2-CZ 2.97Å; D891-R895 IonicContact OD2-NE 3.91Å; D891-R895 PolarHBondContact OD2-NE 2.73Å; D891-R895 IonicContact OD2-NH2 3.93Å; D891-R895 PolarHBondContact OD2-NH2 2.72Å; D891-Y928 HydrophobicContact CB-CE1 3.84Å; D891-Y928 PolarHBondContact N-OH 2.66Å
892	R	90.9	Very high	84.6	Confident	153 Å²	153	47.7 Å²	47.7	58%	0.577	23%	0.234	S	C	*	.	H	α-helix	trans	-66.7	-31.6	176.5	-65.6	-176.5	175.9	-165	-1.3	112.6	Y845 I849 N889 L890 K896	Y845-R892 WeakPolarHBondContact OH-CB 3.25Å; I849-R892 HydrophobicContact CG2-CB 4.34Å; N889-R892 PolarHBondContact O-N 3.26Å; L890-R892 PolarHBondContact O-N 2.96Å; R892-K896 VanDerWaalsContact O-CB 3.28Å; R892-K896 WeakPolarHBondContact O-CB 3.19Å; R892-K896 PolarHBondContact O-N 2.61Å; R892-K896 VanDerWaalsContact O-N 3.12Å
893	I	91.2	Very high	85.2	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.9	-51.3	170.4	-72.1	168	0	0	0	109.2	Y845 I848 L875 L890 D891 R895 K896 L897 L920 L924	Y845-I893 HydrophobicContact CD2-CD1 3.35Å; Y845-I893 HydrophobicContact CD2-CG1 3.89Å; Y845-I893 HydrophobicContact CE2-CD1 3.53Å; Y845-I893 HydrophobicContact CE2-CG1 3.68Å; Y845-I893 HydrophobicContact CG-CD1 4.34Å; I848-I893 HydrophobicContact CG2-CG1 4.41Å; I848-I893 HydrophobicContact CG2-CG2 4.5Å; L875-I893 HydrophobicContact CD1-CD1 3.51Å; L890-I893 HydrophobicContact CD2-CD1 4.24Å; L890-I893 WeakPolarHBondContact O-CA 3.27Å; L890-I893 WeakPolarHBondContact O-CB 3.28Å; L890-I893 PolarHBondContact O-N 2.75Å; D891-I893 VanDerWaalsContact C-N 3.32Å; D891-I893 PolarHBondContact O-N 3.15Å; I893-R895 VanDerWaalsContact C-N 3.31Å; I893-R895 PolarHBondContact O-N 3.5Å; I893-K896 CarbonylContact O-C 3.58Å; I893-K896 WeakPolarHBondContact O-CA 3.31Å; I893-K896 WeakPolarHBondContact O-CB 3.26Å; I893-K896 PolarHBondContact O-N 2.94Å; I893-L897 HydrophobicContact CG2-CD1 3.58Å; I893-L897 HydrophobicContact CG2-CG 3.89Å; I893-L897 WeakPolarHBondContact O-CG 3.3Å; I893-L897 PolarHBondContact O-N 3.2Å; I893-L920 HydrophobicContact CG2-CD2 4Å; I893-L924 HydrophobicContact CG2-CD1 3.75Å
894	V	92	Very high	85.6	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.024	23%	0.227	C	C	.	.	H	α-helix	trans	-56.7	-44.2	-176.7	178.3	0	0	0	0	111.5	L890 D891 L897 E898 L921 L924 Y928 I935	L890-V894 PolarHBondContact O-N 3.3Å; D891-V894 PolarHBondContact O-N 3.34Å; V894-L897 PolarHBondContact O-N 2.85Å; V894-E898 PolarHBondContact O-N 2.88Å; V894-L921 HydrophobicContact CG1-CD2 4.33Å; V894-L924 HydrophobicContact CG2-CD1 4.04Å; V894-Y928 HydrophobicContact CG2-CD2 3.95Å; V894-Y928 HydrophobicContact CG2-CG 4.04Å; V894-I935 HydrophobicContact CG1-CD1 3.76Å
895	R	90.9	Very high	85.6	Confident	149 Å²	149	47.1 Å²	47.1	56%	0.562	23%	0.227	S	C	*	.	H	α-helix	trans	-61.8	-44	173.4	-64.5	179.7	-156.6	-162.2	9.2	112.6	D891 I893 L897 E898 D899	D891-R895 VanDerWaalsContact CG-NE 3.33Å; D891-R895 VanDerWaalsContact CG-NH2 3.27Å; D891-R895 WeakPolarHBondContact O-CG 3.23Å; D891-R895 PolarHBondContact O-N 2.91Å; D891-R895 IonicContact OD1-CZ 2.74Å; D891-R895 IonicContact OD1-NE 2.9Å; D891-R895 PolarHBondContact OD1-NE 2.7Å; D891-R895 IonicContact OD1-NH2 4Å; D891-R895 PolarHBondContact OD1-NH2 2.9Å; D891-R895 VanDerWaalsContact OD1-NH2 3.1Å; D891-R895 IonicContact OD2-CZ 2.97Å; D891-R895 IonicContact OD2-NE 3.91Å; D891-R895 PolarHBondContact OD2-NE 2.73Å; D891-R895 IonicContact OD2-NH2 3.93Å; D891-R895 PolarHBondContact OD2-NH2 2.72Å; I893-R895 VanDerWaalsContact C-N 3.31Å; I893-R895 PolarHBondContact O-N 3.5Å; R895-L897 VanDerWaalsContact C-N 3.34Å; R895-L897 PolarHBondContact O-N 2.87Å; R895-E898 WeakPolarHBondContact O-CB 3.06Å; R895-E898 PolarHBondContact O-N 3.4Å; R895-D899 PolarHBondContact O-N 3.29Å
896	K	91	Very high	85.3	Confident	44 Å²	44	48.8 Å²	48.8	19%	0.191	24%	0.235	C	C	.	.	H	α-helix	trans	-66	-35.9	-179.9	-169.3	69.7	177.5	-165.1	0	112.8	I848 I849 W851 R892 I893 D899 I900	I848-K896 WeakPolarHBondContact O-CG 3.27Å; I849-K896 VanDerWaalsContact O-CE 3.25Å; I849-K896 WeakPolarHBondContact O-CE 3.47Å; I849-K896 PolarHBondContact O-NZ 3.43Å; I849-K896 VanDerWaalsContact O-NZ 3.08Å; W851-K896 WeakPolarHBondContact O-CE 3.35Å; W851-K896 PolarHBondContact O-NZ 3Å; R892-K896 VanDerWaalsContact O-CB 3.28Å; R892-K896 WeakPolarHBondContact O-CB 3.19Å; R892-K896 PolarHBondContact O-N 2.61Å; R892-K896 VanDerWaalsContact O-N 3.12Å; I893-K896 CarbonylContact O-C 3.58Å; I893-K896 WeakPolarHBondContact O-CA 3.31Å; I893-K896 WeakPolarHBondContact O-CB 3.26Å; I893-K896 PolarHBondContact O-N 2.94Å; K896-D899 PolarHBondContact O-N 3.13Å; K896-I900 HydrophobicContact CG-CD1 4.31Å; K896-I900 VanDerWaalsContact O-CG1 3.3Å; K896-I900 WeakPolarHBondContact O-CG1 3.46Å; K896-I900 PolarHBondContact O-N 3.22Å
897	L	91.3	Very high	85.1	Confident	0 Å²	0	50 Å²	50	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.2	-39.5	173.3	-62.7	177	0	0	0	110.8	L872 I893 V894 R895 I900 L901 C917 L920 L921 L924	L872-L897 HydrophobicContact CD2-CD2 3.7Å; I893-L897 HydrophobicContact CG2-CD1 3.58Å; I893-L897 HydrophobicContact CG2-CG 3.89Å; I893-L897 WeakPolarHBondContact O-CG 3.3Å; I893-L897 PolarHBondContact O-N 3.2Å; V894-L897 PolarHBondContact O-N 2.85Å; R895-L897 VanDerWaalsContact C-N 3.34Å; R895-L897 PolarHBondContact O-N 2.87Å; L897-I900 PolarHBondContact O-N 3.41Å; L897-L901 WeakPolarHBondContact O-CB 3.44Å; L897-L901 WeakPolarHBondContact O-CD1 3.31Å; L897-L901 VanDerWaalsContact O-CG 3.24Å; L897-L901 WeakPolarHBondContact O-CG 3.21Å; L897-L901 PolarHBondContact O-N 2.91Å; L897-C917 HydrophobicContact CD2-CB 3.99Å; L897-L920 HydrophobicContact CD1-CB 4.16Å; L897-L920 HydrophobicContact CD1-CD2 3.9Å; L897-L920 HydrophobicContact CD1-CG 3.87Å; L897-L920 HydrophobicContact CD2-CD2 4.41Å; L897-L921 HydrophobicContact CB-CD1 4.42Å; L897-L921 HydrophobicContact CB-CD2 4.11Å; L897-L921 HydrophobicContact CB-CG 4.24Å; L897-L921 HydrophobicContact CD1-CD2 3.82Å; L897-L921 HydrophobicContact CD1-CG 3.85Å; L897-L924 HydrophobicContact CD1-CD1 4.37Å
898	E	90.9	Very high	84.7	Confident	24 Å²	24	45.8 Å²	45.8	11%	0.112	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-47.1	170.5	-171.1	162.4	-153.1	0	0	111.3	V894 R895 I900 L901 E902 R934 I935 K938	V894-E898 PolarHBondContact O-N 2.88Å; R895-E898 WeakPolarHBondContact O-CB 3.06Å; R895-E898 PolarHBondContact O-N 3.4Å; E898-I900 VanDerWaalsContact C-N 3.33Å; E898-I900 PolarHBondContact O-N 3.28Å; E898-L901 PolarHBondContact O-N 3.45Å; E898-E902 HydrophobicContact CG-CG 4.01Å; E898-E902 VanDerWaalsContact O-CB 3.27Å; E898-E902 WeakPolarHBondContact O-CB 3.47Å; E898-E902 VanDerWaalsContact O-CG 3.31Å; E898-E902 WeakPolarHBondContact O-CG 3.48Å; E898-E902 PolarHBondContact O-N 3.2Å; E898-R934 VanDerWaalsContact CD-NH2 3.32Å; E898-R934 IonicContact OE1-CZ 2.72Å; E898-R934 VanDerWaalsContact OE1-CZ 3.27Å; E898-R934 IonicContact OE1-NH1 2.85Å; E898-R934 PolarHBondContact OE1-NH1 2.92Å; E898-R934 IonicContact OE1-NH2 2.67Å; E898-R934 PolarHBondContact OE1-NH2 3.39Å; E898-R934 VanDerWaalsContact OE1-NH2 3.16Å; E898-R934 IonicContact OE2-CZ 2.59Å; E898-R934 IonicContact OE2-NH1 3.28Å; E898-R934 IonicContact OE2-NH2 3.13Å; E898-R934 PolarHBondContact OE2-NH2 3.21Å; E898-I935 HydrophobicContact CB-CD1 3.8Å; E898-I935 HydrophobicContact CB-CG1 4.03Å; E898-I935 HydrophobicContact CG-CD1 4.28Å; E898-I935 HydrophobicContact CG-CG1 3.98Å; E898-K938 IonicContact OE1-NZ 3.41Å; E898-K938 PolarHBondContact OE1-NZ 2.92Å
899	D	89.1	Confident	84.2	Confident	62 Å²	62	51.8 Å²	51.8	33%	0.332	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-38.1	177	-73.4	-33.1	0	0	0	113.6	R895 K896 K904	R895-D899 PolarHBondContact O-N 3.29Å; K896-D899 PolarHBondContact O-N 3.13Å; D899-K904 HydrophobicContact CB-CB 4.43Å; D899-K904 HydrophobicContact CB-CD 4.2Å; D899-K904 WeakPolarHBondContact O-CA 3.4Å; D899-K904 VanDerWaalsContact O-CB 3.25Å; D899-K904 WeakPolarHBondContact O-CB 3.37Å; D899-K904 PolarHBondContact O-N 3.25Å; D899-K904 WeakPolarHBondContact OD1-CD 3.35Å; D899-K904 IonicContact OD1-NZ 3.72Å; D899-K904 PolarHBondContact OD1-NZ 3.48Å
900	I	87.2	Confident	83.9	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-44.9	177.4	-71	165.1	0	0	0	110.7	W851 F868 K896 L897 E898 G903 S908 L913	W851-I900 HydrophobicContact CB-CD1 4.41Å; W851-I900 HydrophobicContact CG-CD1 4.36Å; F868-I900 HydrophobicContact CE1-CD1 4.27Å; F868-I900 HydrophobicContact CZ-CD1 3.77Å; K896-I900 HydrophobicContact CG-CD1 4.31Å; K896-I900 VanDerWaalsContact O-CG1 3.3Å; K896-I900 WeakPolarHBondContact O-CG1 3.46Å; K896-I900 PolarHBondContact O-N 3.22Å; L897-I900 PolarHBondContact O-N 3.41Å; E898-I900 VanDerWaalsContact C-N 3.33Å; E898-I900 PolarHBondContact O-N 3.28Å; I900-G903 PolarHBondContact O-N 2.86Å; I900-S908 WeakPolarHBondContact O-CB 3.39Å; I900-L913 HydrophobicContact CG2-CD1 4.28Å; I900-L913 HydrophobicContact CG2-CD2 3.85Å; I900-L913 HydrophobicContact CG2-CG 4.03Å
901	L	85.7	Confident	83.4	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-71.5	-39.3	-178.9	-68	169.9	0	0	0	111.9	L897 E898 G903 R914 C917 L921 I935 E939 W949	L897-L901 WeakPolarHBondContact O-CB 3.44Å; L897-L901 WeakPolarHBondContact O-CD1 3.31Å; L897-L901 VanDerWaalsContact O-CG 3.24Å; L897-L901 WeakPolarHBondContact O-CG 3.21Å; L897-L901 PolarHBondContact O-N 2.91Å; E898-L901 PolarHBondContact O-N 3.45Å; L901-G903 PolarHBondContact O-N 3.36Å; L901-R914 HydrophobicContact CD2-CB 3.82Å; L901-R914 HydrophobicContact CD2-CG 4.03Å; L901-R914 VanDerWaalsContact O-CZ 3.25Å; L901-R914 PolarHBondContact O-NH1 3.44Å; L901-R914 PolarHBondContact O-NH2 2.83Å; L901-C917 HydrophobicContact CD1-CB 4.15Å; L901-C917 HydrophobicContact CD2-CB 3.97Å; L901-C917 HydrophobicContact CG-CB 4.1Å; L901-L921 HydrophobicContact CD1-CD1 3.56Å; L901-I935 HydrophobicContact CD1-CG2 3.7Å; L901-E939 HydrophobicContact CB-CG 4.44Å; L901-E939 HydrophobicContact CD1-CG 4.11Å; L901-E939 HydrophobicContact CD2-CG 4.36Å; L901-W949 HydrophobicContact CD2-CH2 4.28Å
902	E	85.2	Confident	83	Confident	85 Å²	85	50.5 Å²	50.5	40%	0.397	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	7.7	171.6	-70.2	-168.8	150	0	0	114.1	E898 K904 K938	E898-E902 HydrophobicContact CG-CG 4.01Å; E898-E902 VanDerWaalsContact O-CB 3.27Å; E898-E902 WeakPolarHBondContact O-CB 3.47Å; E898-E902 VanDerWaalsContact O-CG 3.31Å; E898-E902 WeakPolarHBondContact O-CG 3.48Å; E898-E902 PolarHBondContact O-N 3.2Å; E902-K904 WeakPolarHBondContact OE2-CE 3.4Å; E902-K904 IonicContact OE2-NZ 2.78Å; E902-K904 PolarHBondContact OE2-NZ 3.33Å; E902-K938 IonicContact OE1-NZ 3.58Å; E902-K938 PolarHBondContact OE1-NZ 3.4Å
903	G	80.4	Confident	82.7	Confident	21 Å²	21	43.2 Å²	43.2	22%	0.216	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	13.2	170.2	0	0	0	0	0	115.4	K854 I900 L901	K854-G903 WeakPolarHBondContact CD-O 3.26Å; K854-G903 WeakPolarHBondContact CE-O 3.49Å; K854-G903 PolarHBondContact NZ-O 2.97Å; I900-G903 PolarHBondContact O-N 2.86Å; L901-G903 PolarHBondContact O-N 3.36Å
904	K	77.6	Confident	82.4	Confident	98 Å²	98	45 Å²	45	43%	0.426	22%	0.215	S	C	.	.			trans	-92.4	-13.5	-176.6	-48.1	173.1	-157.4	156.3	0	113.4	G853 K854 D899 E902	G853-K904 CarbonylContact C-O 3.55Å; G853-K904 WeakPolarHBondContact CA-O 3.24Å; K854-K904 PolarHBondContact N-O 3.36Å; D899-K904 HydrophobicContact CB-CB 4.43Å; D899-K904 HydrophobicContact CB-CD 4.2Å; D899-K904 WeakPolarHBondContact O-CA 3.4Å; D899-K904 VanDerWaalsContact O-CB 3.25Å; D899-K904 WeakPolarHBondContact O-CB 3.37Å; D899-K904 PolarHBondContact O-N 3.25Å; D899-K904 WeakPolarHBondContact OD1-CD 3.35Å; D899-K904 IonicContact OD1-NZ 3.72Å; D899-K904 PolarHBondContact OD1-NZ 3.48Å; E902-K904 WeakPolarHBondContact OE2-CE 3.4Å; E902-K904 IonicContact OE2-NZ 2.78Å; E902-K904 PolarHBondContact OE2-NZ 3.33Å
905	G	73.2	Confident	81.9	Confident	4 Å²	4	45 Å²	45	4%	0.041	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-93.3	158.5	177.4	0	0	0	0	0	114	K854 S908	K854-G905 VanDerWaalsContact CG-O 3.26Å; K854-G905 WeakPolarHBondContact CG-O 3.4Å; G905-S908 WeakPolarHBondContact O-CB 3.29Å; G905-S908 PolarHBondContact O-N 3.01Å
906	M	73.4	Confident	81.6	Confident	34 Å²	34	38 Å²	38	17%	0.167	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	145.2	167.4	-70	-166.5	73.4	0	0	111.4	W851 P852 S856 L858 I860 S908	W851-M906 PolarHBondContact NE1-O 2.79Å; W851-M906 VanDerWaalsContact NE1-O 3.08Å; P852-M906 HydrophobicContact CG-CG 4.26Å; P852-M906 HydrophobicContact CG-SD 3.97Å; P852-M906 PolarHBondContact O-N 2.95Å; S856-M906 PolarHBondContact OG-SD 2.85Å; L858-M906 WeakPolarHBondContact O-CE 3.36Å; I860-M906 HydrophobicContact CD1-CB 4.12Å; I860-M906 HydrophobicContact CD1-CE 4.32Å; I860-M906 HydrophobicContact CD1-CG 4.42Å; I860-M906 HydrophobicContact CD1-SD 3.59Å; I860-M906 VanDerWaalsContact CD1-SD 3.59Å; I860-M906 HydrophobicContact CG1-CE 4.09Å; I860-M906 HydrophobicContact CG1-SD 3.74Å; M906-S908 VanDerWaalsContact C-N 3.25Å; M906-S908 PolarHBondContact O-N 3.16Å
907	Y	73.3	Confident	81.6	Confident	95 Å²	95	35.9 Å²	35.9	37%	0.373	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	24.8	-176.4	-52.7	-91	0	0	0	115.3	W851 I860 F865 E909 N910 L913	W851-Y907 HydrophobicContact CZ2-CD2 4.15Å; I860-Y907 HydrophobicContact CB-CE2 4Å; I860-Y907 HydrophobicContact CD1-CE2 4.07Å; I860-Y907 HydrophobicContact CG1-CE2 4.26Å; F865-Y907 HydrophobicContact CD2-CD2 4.48Å; Y907-E909 PolarHBondContact O-N 3.38Å; Y907-E909 VanDerWaalsContact O-N 3.07Å; Y907-N910 WeakPolarHBondContact O-CB 3.39Å; Y907-N910 PolarHBondContact O-N 3.35Å; Y907-L913 WeakPolarHBondContact O-CD2 3.33Å
908	S	72	Confident	81.2	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.007	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-25.5	-176.4	54.2	0	0	0	0	116	K854 I900 G905 M906 N910 R914	K854-S908 WeakPolarHBondContact CE-OG 3.38Å; K854-S908 PolarHBondContact NZ-OG 3.42Å; K854-S908 VanDerWaalsContact NZ-OG 3.15Å; I900-S908 WeakPolarHBondContact O-CB 3.39Å; G905-S908 WeakPolarHBondContact O-CB 3.29Å; G905-S908 PolarHBondContact O-N 3.01Å; M906-S908 VanDerWaalsContact C-N 3.25Å; M906-S908 PolarHBondContact O-N 3.16Å; S908-N910 VanDerWaalsContact C-N 3.33Å; S908-R914 VanDerWaalsContact O-CD 3.31Å; S908-R914 WeakPolarHBondContact O-CD 3.48Å; S908-R914 VanDerWaalsContact O-CG 3.32Å; S908-R914 WeakPolarHBondContact O-CG 3.36Å; S908-R914 PolarHBondContact O-NH1 3.01Å
909	E	73.1	Confident	80.9	Confident	140 Å²	140	35.9 Å²	35.9	65%	0.654	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-11.1	175.4	-69.4	106.2	-109.6	0	0	113.4	K854 Y907 T911	K854-E909 IonicContact NZ-OE1 3.02Å; K854-E909 PolarHBondContact NZ-OE1 2.77Å; Y907-E909 PolarHBondContact O-N 3.38Å; Y907-E909 VanDerWaalsContact O-N 3.07Å; E909-T911 PolarHBondContact O-N 2.71Å
910	N	78.4	Confident	80.9	Confident	37 Å²	37	32.9 Å²	32.9	20%	0.198	16%	0.163	C	C	.	.			trans	-68.7	116.5	-179.2	-177.9	-73	0	0	0	111.1	Y907 S908 V912 L913 R914	Y907-N910 WeakPolarHBondContact O-CB 3.39Å; Y907-N910 PolarHBondContact O-N 3.35Å; S908-N910 VanDerWaalsContact C-N 3.33Å; N910-V912 VanDerWaalsContact C-N 3.31Å; N910-V912 PolarHBondContact O-N 2.96Å; N910-V912 VanDerWaalsContact OD1-CB 3.29Å; N910-V912 WeakPolarHBondContact OD1-CB 3.41Å; N910-V912 PolarHBondContact OD1-N 2.82Å; N910-V912 VanDerWaalsContact OD1-N 3.11Å; N910-L913 HydrophobicContact CB-CB 4.12Å; N910-L913 WeakPolarHBondContact O-CB 3.27Å; N910-L913 PolarHBondContact O-N 2.83Å; N910-L913 VanDerWaalsContact O-N 3.16Å; N910-L913 PolarHBondContact OD1-N 2.65Å; N910-R914 WeakPolarHBondContact O-CG 3.49Å; N910-R914 PolarHBondContact O-N 2.98Å
911	T	76.3	Confident	80.9	Confident	94 Å²	94	32.8 Å²	32.8	58%	0.577	16%	0.163	S	C	*	.	H	α-helix	trans	-61.1	-35	-175.4	52	0	0	0	0	113.5	E909 R914 S915	E909-T911 PolarHBondContact O-N 2.71Å; T911-R914 PolarHBondContact O-N 3.4Å; T911-S915 VanDerWaalsContact O-CB 3.29Å; T911-S915 WeakPolarHBondContact O-CB 3.36Å; T911-S915 PolarHBondContact O-N 3.38Å
912	V	80.2	Confident	80.7	Confident	10 Å²	10	34 Å²	34	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-45.7	176.2	-173.1	0	0	0	0	110.4	I514 V811 L869 N910 S915 C916	I514-V912 HydrophobicContact CD1-CG2 3.58Å; V811-V912 HydrophobicContact CB-CG1 4.35Å; V811-V912 HydrophobicContact CG1-CG1 3.59Å; V811-V912 HydrophobicContact CG2-CB 4.41Å; V811-V912 HydrophobicContact CG2-CG1 3.74Å; L869-V912 HydrophobicContact CD1-CG1 3.93Å; L869-V912 HydrophobicContact CD2-CG1 4.43Å; N910-V912 VanDerWaalsContact C-N 3.31Å; N910-V912 PolarHBondContact O-N 2.96Å; N910-V912 VanDerWaalsContact OD1-CB 3.29Å; N910-V912 WeakPolarHBondContact OD1-CB 3.41Å; N910-V912 PolarHBondContact OD1-N 2.82Å; N910-V912 VanDerWaalsContact OD1-N 3.11Å; V912-S915 PolarHBondContact O-N 3.28Å; V912-C916 PolarHBondContact O-N 2.84Å
913	L	85.3	Confident	80.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.6	-50.8	174.4	173.6	61.4	0	0	0	111.4	F865 F868 L869 L872 I900 Y907 N910 S915 C916 C917	F865-L913 HydrophobicContact CE2-CB 4.16Å; F865-L913 HydrophobicContact CE2-CD1 4.46Å; F865-L913 HydrophobicContact CE2-CD2 4.35Å; F865-L913 HydrophobicContact CZ-CB 4.21Å; F868-L913 HydrophobicContact CD1-CD1 3.92Å; F868-L913 HydrophobicContact CE1-CD1 3.58Å; L869-L913 HydrophobicContact CD2-CB 4.21Å; L869-L913 HydrophobicContact CD2-CD1 4.16Å; L872-L913 HydrophobicContact CD1-CD1 3.95Å; I900-L913 HydrophobicContact CG2-CD1 4.28Å; I900-L913 HydrophobicContact CG2-CD2 3.85Å; I900-L913 HydrophobicContact CG2-CG 4.03Å; Y907-L913 WeakPolarHBondContact O-CD2 3.33Å; N910-L913 HydrophobicContact CB-CB 4.12Å; N910-L913 WeakPolarHBondContact O-CB 3.27Å; N910-L913 PolarHBondContact O-N 2.83Å; N910-L913 VanDerWaalsContact O-N 3.16Å; N910-L913 PolarHBondContact OD1-N 2.65Å; L913-S915 VanDerWaalsContact C-N 3.32Å; L913-S915 PolarHBondContact O-N 2.81Å; L913-C916 PolarHBondContact O-N 3.21Å; L913-C917 PolarHBondContact O-N 3.27Å; L913-C917 PolarHBondContact O-SG 3.05Å
914	R	84.2	Confident	80.9	Confident	38 Å²	38	34.4 Å²	34.4	14%	0.143	16%	0.162	C	C	.	.	H	α-helix	trans	-61.5	-40.5	-179.1	-59.7	-175.9	82.2	88.6	-6	111.7	L901 S908 N910 T911 C917 A918 E939 W949	L901-R914 HydrophobicContact CD2-CB 3.82Å; L901-R914 HydrophobicContact CD2-CG 4.03Å; L901-R914 VanDerWaalsContact O-CZ 3.25Å; L901-R914 PolarHBondContact O-NH1 3.44Å; L901-R914 PolarHBondContact O-NH2 2.83Å; S908-R914 VanDerWaalsContact O-CD 3.31Å; S908-R914 WeakPolarHBondContact O-CD 3.48Å; S908-R914 VanDerWaalsContact O-CG 3.32Å; S908-R914 WeakPolarHBondContact O-CG 3.36Å; S908-R914 PolarHBondContact O-NH1 3.01Å; N910-R914 WeakPolarHBondContact O-CG 3.49Å; N910-R914 PolarHBondContact O-N 2.98Å; T911-R914 PolarHBondContact O-N 3.4Å; R914-C917 WeakPolarHBondContact O-CB 3.36Å; R914-C917 PolarHBondContact O-N 3.03Å; R914-A918 WeakPolarHBondContact O-CB 3.45Å; R914-A918 PolarHBondContact O-N 3.42Å; R914-E939 IonicContact CZ-OE1 2.72Å; R914-E939 IonicContact CZ-OE2 3.76Å; R914-E939 VanDerWaalsContact CZ-OE2 3.26Å; R914-E939 IonicContact NE-OE2 3.27Å; R914-E939 PolarHBondContact NE-OE2 3.41Å; R914-E939 VanDerWaalsContact NE-OE2 3.09Å; R914-E939 IonicContact NH2-OE1 3.42Å; R914-E939 PolarHBondContact NH2-OE1 3.05Å; R914-E939 IonicContact NH2-OE2 3.14Å; R914-E939 PolarHBondContact NH2-OE2 3.04Å; R914-W949 HydrophobicContact CB-CH2 3.88Å; R914-W949 HydrophobicContact CB-CZ2 3.61Å
915	S	81.2	Confident	81.1	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-65	-44.2	176.2	-176.6	0	0	0	0	112.3	T911 V912 L913 C917 A918 Q919	T911-S915 VanDerWaalsContact O-CB 3.29Å; T911-S915 WeakPolarHBondContact O-CB 3.36Å; T911-S915 PolarHBondContact O-N 3.38Å; V912-S915 PolarHBondContact O-N 3.28Å; L913-S915 VanDerWaalsContact C-N 3.32Å; L913-S915 PolarHBondContact O-N 2.81Å; S915-C917 VanDerWaalsContact C-N 3.34Å; S915-C917 PolarHBondContact O-N 2.99Å; S915-A918 PolarHBondContact O-N 3.47Å; S915-A918 VanDerWaalsContact O-N 3.16Å; S915-Q919 WeakPolarHBondContact O-CG 3.26Å; S915-Q919 PolarHBondContact O-N 3.46Å
916	C	85.6	Confident	81.2	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-40.6	172.2	-76.5	0	0	0	0	113	V811 L869 L872 V912 L913 L920	V811-C916 VanDerWaalsContact CB-SG 3.57Å; V811-C916 WeakPolarHBondContact CG1-SG 3.42Å; L869-C916 HydrophobicContact CD2-CB 4.34Å; L872-C916 HydrophobicContact CB-CB 3.92Å; L872-C916 HydrophobicContact CD1-CB 3.55Å; L872-C916 HydrophobicContact CG-CB 4.4Å; V912-C916 PolarHBondContact O-N 2.84Å; L913-C916 PolarHBondContact O-N 3.21Å; C916-L920 PolarHBondContact O-N 3.15Å; C916-L920 VanDerWaalsContact O-N 3.14Å
917	C	89.5	Confident	81.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-42.7	174.2	-69.4	0	0	0	0	111.5	L897 L901 L913 R914 S915 L920 L921	L897-C917 HydrophobicContact CD2-CB 3.99Å; L901-C917 HydrophobicContact CD1-CB 4.15Å; L901-C917 HydrophobicContact CD2-CB 3.97Å; L901-C917 HydrophobicContact CG-CB 4.1Å; L913-C917 PolarHBondContact O-N 3.27Å; L913-C917 PolarHBondContact O-SG 3.05Å; R914-C917 WeakPolarHBondContact O-CB 3.36Å; R914-C917 PolarHBondContact O-N 3.03Å; S915-C917 VanDerWaalsContact C-N 3.34Å; S915-C917 PolarHBondContact O-N 2.99Å; C917-L920 PolarHBondContact O-N 2.89Å; C917-L921 WeakPolarHBondContact O-CG 3.43Å; C917-L921 PolarHBondContact O-N 3.28Å
918	A	83.6	Confident	82	Confident	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65.7	-42.5	177.8	0	0	0	0	0	112.8	R914 S915 L920 L921 V922 L936 W949 L952	R914-A918 WeakPolarHBondContact O-CB 3.45Å; R914-A918 PolarHBondContact O-N 3.42Å; S915-A918 PolarHBondContact O-N 3.47Å; S915-A918 VanDerWaalsContact O-N 3.16Å; A918-L920 VanDerWaalsContact C-N 3.33Å; A918-L920 PolarHBondContact O-N 2.88Å; A918-L921 PolarHBondContact O-N 3.33Å; A918-V922 WeakPolarHBondContact O-CG2 3.45Å; A918-V922 PolarHBondContact O-N 3.25Å; A918-L936 HydrophobicContact CB-CD2 3.91Å; A918-W949 HydrophobicContact CB-CE3 4.25Å; A918-W949 HydrophobicContact CB-CH2 3.81Å; A918-W949 HydrophobicContact CB-CZ3 3.49Å; A918-W949 VanDerWaalsContact CB-CZ3 3.49Å; A918-L952 HydrophobicContact CB-CD1 3.98Å
919	Q	83.9	Confident	82.4	Confident	24 Å²	24	34.1 Å²	34.1	11%	0.112	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-44.6	173.6	-73.7	175	-29.4	0	0	111.8	D810 V811 S915 V922 R923 L952	D810-Q919 PolarHBondContact OD1-NE2 2.96Å; V811-Q919 PolarHBondContact O-NE2 2.99Å; V811-Q919 PolarHBondContact O-OE1 3.36Å; S915-Q919 WeakPolarHBondContact O-CG 3.26Å; S915-Q919 PolarHBondContact O-N 3.46Å; Q919-V922 PolarHBondContact O-N 2.9Å; Q919-R923 VanDerWaalsContact O-CG 3.32Å; Q919-R923 WeakPolarHBondContact O-CG 3.42Å; Q919-R923 PolarHBondContact O-N 2.99Å; Q919-L952 HydrophobicContact CG-CD2 4.4Å
920	L	88.8	Confident	82.9	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.9	-38.8	176.4	-177.8	54	0	0	0	112	I848 L872 L875 A876 I893 L897 C916 C917 A918 R923 L924	I848-L920 HydrophobicContact CD1-CD2 4.21Å; L872-L920 HydrophobicContact CD2-CD2 3.69Å; L875-L920 HydrophobicContact CB-CD1 3.95Å; L875-L920 HydrophobicContact CB-CD2 4.23Å; A876-L920 HydrophobicContact CB-CB 4.31Å; A876-L920 HydrophobicContact CB-CD1 4.19Å; I893-L920 HydrophobicContact CG2-CD2 4Å; L897-L920 HydrophobicContact CD1-CB 4.16Å; L897-L920 HydrophobicContact CD1-CD2 3.9Å; L897-L920 HydrophobicContact CD1-CG 3.87Å; L897-L920 HydrophobicContact CD2-CD2 4.41Å; C916-L920 PolarHBondContact O-N 3.15Å; C916-L920 VanDerWaalsContact O-N 3.14Å; C917-L920 PolarHBondContact O-N 2.89Å; A918-L920 VanDerWaalsContact C-N 3.33Å; A918-L920 PolarHBondContact O-N 2.88Å; L920-R923 CarbonylContact O-C 3.52Å; L920-R923 PolarHBondContact O-N 3.28Å; L920-L924 HydrophobicContact CD1-CD1 4.05Å; L920-L924 HydrophobicContact CD1-CG 4.1Å; L920-L924 HydrophobicContact CG-CD1 3.96Å; L920-L924 HydrophobicContact CG-CG 4.44Å; L920-L924 WeakPolarHBondContact O-CB 3.45Å; L920-L924 VanDerWaalsContact O-CG 3.27Å; L920-L924 WeakPolarHBondContact O-CG 3.45Å; L920-L924 PolarHBondContact O-N 3.47Å
921	L	88.5	Confident	83.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.6	-41.9	174.1	-74.7	171.2	0	0	0	112.7	V894 L897 L901 C917 A918 R923 L924 L925 C932 I935 L936	V894-L921 HydrophobicContact CG1-CD2 4.33Å; L897-L921 HydrophobicContact CB-CD1 4.42Å; L897-L921 HydrophobicContact CB-CD2 4.11Å; L897-L921 HydrophobicContact CB-CG 4.24Å; L897-L921 HydrophobicContact CD1-CD2 3.82Å; L897-L921 HydrophobicContact CD1-CG 3.85Å; L901-L921 HydrophobicContact CD1-CD1 3.56Å; C917-L921 WeakPolarHBondContact O-CG 3.43Å; C917-L921 PolarHBondContact O-N 3.28Å; A918-L921 PolarHBondContact O-N 3.33Å; L921-R923 VanDerWaalsContact C-N 3.29Å; L921-R923 PolarHBondContact O-N 3.46Å; L921-L924 PolarHBondContact O-N 2.94Å; L921-L924 VanDerWaalsContact O-N 3.14Å; L921-L925 PolarHBondContact O-N 2.98Å; L921-L925 VanDerWaalsContact O-N 3.16Å; L921-C932 HydrophobicContact CB-CB 4.48Å; L921-C932 HydrophobicContact CD2-CB 4.33Å; L921-I935 HydrophobicContact CD1-CB 4.07Å; L921-I935 HydrophobicContact CD1-CG2 3.51Å; L921-I935 HydrophobicContact CD2-CD1 4.05Å; L921-L936 HydrophobicContact CB-CD1 4.14Å; L921-L936 HydrophobicContact CB-CD2 4.07Å; L921-L936 HydrophobicContact CB-CG 4.08Å; L921-L936 HydrophobicContact CD1-CD2 4.27Å; L921-L936 HydrophobicContact CD1-CG 4.4Å
922	V	82	Confident	83.8	Confident	30 Å²	30	30.6 Å²	30.6	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-41.6	173.7	170.4	0	0	0	0	110.4	A918 Q919 L924 L925 L936 L952 A956	A918-V922 WeakPolarHBondContact O-CG2 3.45Å; A918-V922 PolarHBondContact O-N 3.25Å; Q919-V922 PolarHBondContact O-N 2.9Å; V922-L924 VanDerWaalsContact C-N 3.31Å; V922-L924 PolarHBondContact O-N 3.41Å; V922-L925 HydrophobicContact CB-CD1 4.45Å; V922-L925 HydrophobicContact CG1-CD1 4.29Å; V922-L925 WeakPolarHBondContact O-CB 3.32Å; V922-L925 WeakPolarHBondContact O-CD1 3.45Å; V922-L925 WeakPolarHBondContact O-CG 3.39Å; V922-L925 PolarHBondContact O-N 3.19Å; V922-L936 HydrophobicContact CG2-CD1 3.66Å; V922-L936 HydrophobicContact CG2-CD2 4.38Å; V922-L952 HydrophobicContact CG2-CB 4.28Å; V922-L952 HydrophobicContact CG2-CD2 4.15Å; V922-A956 HydrophobicContact CG2-CB 4.48Å
923	R	82.7	Confident	84	Confident	113 Å²	113	31.8 Å²	31.8	43%	0.426	15%	0.148	S	C	.	.	H	α-helix	trans	-67.5	-28	175.4	-70.8	-76.5	-179.1	146.7	-1.4	113.5	A876 A879 Q919 L920 L921 P926 W927	A876-R923 HydrophobicContact CB-CG 4.18Å; A876-R923 VanDerWaalsContact O-CD 3.23Å; A876-R923 WeakPolarHBondContact O-CD 3.47Å; A876-R923 VanDerWaalsContact O-CG 3.25Å; A876-R923 WeakPolarHBondContact O-CG 3.39Å; A879-R923 HydrophobicContact CB-CB 4.08Å; Q919-R923 VanDerWaalsContact O-CG 3.32Å; Q919-R923 WeakPolarHBondContact O-CG 3.42Å; Q919-R923 PolarHBondContact O-N 2.99Å; L920-R923 CarbonylContact O-C 3.52Å; L920-R923 PolarHBondContact O-N 3.28Å; L921-R923 VanDerWaalsContact C-N 3.29Å; L921-R923 PolarHBondContact O-N 3.46Å; R923-P926 WeakPolarHBondContact O-CD 3.44Å; R923-W927 WeakPolarHBondContact O-CZ3 3.35Å
924	L	86.8	Confident	84.2	Confident	0 Å²	0	37 Å²	37	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-87.4	-3.7	178.3	-69	172.4	0	0	0	114.6	F885 L890 I893 V894 L897 L920 L921 V922 P926 W927 Y928	F885-L924 HydrophobicContact CE1-CD2 4.01Å; L890-L924 HydrophobicContact CD1-CD2 4.08Å; L890-L924 HydrophobicContact CD2-CD2 3.99Å; L890-L924 HydrophobicContact CG-CD2 4.44Å; I893-L924 HydrophobicContact CG2-CD1 3.75Å; V894-L924 HydrophobicContact CG2-CD1 4.04Å; L897-L924 HydrophobicContact CD1-CD1 4.37Å; L920-L924 HydrophobicContact CD1-CD1 4.05Å; L920-L924 HydrophobicContact CD1-CG 4.1Å; L920-L924 HydrophobicContact CG-CD1 3.96Å; L920-L924 HydrophobicContact CG-CG 4.44Å; L920-L924 WeakPolarHBondContact O-CB 3.45Å; L920-L924 VanDerWaalsContact O-CG 3.27Å; L920-L924 WeakPolarHBondContact O-CG 3.45Å; L920-L924 PolarHBondContact O-N 3.47Å; L921-L924 PolarHBondContact O-N 2.94Å; L921-L924 VanDerWaalsContact O-N 3.14Å; V922-L924 VanDerWaalsContact C-N 3.31Å; V922-L924 PolarHBondContact O-N 3.41Å; L924-P926 VanDerWaalsContact C-N 3.3Å; L924-W927 HydrophobicContact CD2-CE3 4.11Å; L924-W927 HydrophobicContact CD2-CZ3 4.29Å; L924-W927 PolarHBondContact O-N 3.45Å; L924-W927 VanDerWaalsContact O-N 3.11Å; L924-Y928 PolarHBondContact O-N 2.66Å; L924-Y928 VanDerWaalsContact O-N 3.08Å
925	L	81.4	Confident	84.3	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.01	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-36.2	174.4	-75.7	165.5	0	0	0	115.1	L921 V922 W927 P929 C932 A956 V959	L921-L925 PolarHBondContact O-N 2.98Å; L921-L925 VanDerWaalsContact O-N 3.16Å; V922-L925 HydrophobicContact CB-CD1 4.45Å; V922-L925 HydrophobicContact CG1-CD1 4.29Å; V922-L925 WeakPolarHBondContact O-CB 3.32Å; V922-L925 WeakPolarHBondContact O-CD1 3.45Å; V922-L925 WeakPolarHBondContact O-CG 3.39Å; V922-L925 PolarHBondContact O-N 3.19Å; L925-W927 PolarHBondContact O-N 2.92Å; L925-P929 VanDerWaalsContact O-CA 3.28Å; L925-P929 WeakPolarHBondContact O-CA 3.34Å; L925-P929 WeakPolarHBondContact O-CB 3.46Å; L925-P929 VanDerWaalsContact O-CD 3.25Å; L925-P929 WeakPolarHBondContact O-CD 3.49Å; L925-C932 HydrophobicContact CD2-CB 3.7Å; L925-C932 HydrophobicContact CG-CB 4.16Å; L925-A956 HydrophobicContact CD1-CB 3.63Å; L925-V959 HydrophobicContact CB-CG1 4.09Å; L925-V959 HydrophobicContact CD1-CB 4.29Å; L925-V959 HydrophobicContact CD1-CG1 4.3Å
926	P	75	Confident	84.4	Confident	48 Å²	48	35.3 Å²	35.3	31%	0.312	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-27.5	178.2	-24.2	34.7	0	0	0	114.5	R923 L924 M965	R923-P926 WeakPolarHBondContact O-CD 3.44Å; L924-P926 VanDerWaalsContact C-N 3.3Å; P926-M965 HydrophobicContact CB-CE 3.71Å; P926-M965 HydrophobicContact CB-SD 4.04Å; P926-M965 HydrophobicContact CG-CE 3.74Å
927	W	80.1	Confident	84.2	Confident	59 Å²	59	40.9 Å²	40.9	22%	0.223	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-35.2	-177.7	-63.2	-90.6	0	0	0	113	A879 P881 F885 L890 R923 L924 L925 P929	A879-W927 HydrophobicContact CB-CH2 4.24Å; A879-W927 HydrophobicContact CB-CZ3 4.25Å; P881-W927 VanDerWaalsContact CA-CZ2 3.49Å; P881-W927 HydrophobicContact CB-CH2 4.33Å; P881-W927 HydrophobicContact CB-CZ2 3.94Å; F885-W927 AromaticContact CD1-CH2 3.77Å; F885-W927 HydrophobicContact CD1-CH2 3.77Å; F885-W927 AromaticContact CD1-CZ2 3.87Å; F885-W927 HydrophobicContact CD1-CZ2 3.87Å; F885-W927 HydrophobicContact CE1-CH2 4.2Å; L890-W927 HydrophobicContact CD1-CB 4.28Å; L890-W927 HydrophobicContact CD1-CD2 3.78Å; L890-W927 HydrophobicContact CD1-CE3 4.34Å; L890-W927 HydrophobicContact CD1-CG 3.79Å; L890-W927 HydrophobicContact CD1-CZ2 4.47Å; R923-W927 WeakPolarHBondContact O-CZ3 3.35Å; L924-W927 HydrophobicContact CD2-CE3 4.11Å; L924-W927 HydrophobicContact CD2-CZ3 4.29Å; L924-W927 PolarHBondContact O-N 3.45Å; L924-W927 VanDerWaalsContact O-N 3.11Å; L925-W927 PolarHBondContact O-N 2.92Å; W927-P929 VanDerWaalsContact C-CD 3.41Å
928	Y	84.4	Confident	83.9	Confident	71 Å²	71	44.4 Å²	44.4	28%	0.278	20%	0.201	S	C	.	.			trans	-129.5	55.3	-176.7	-61.4	-88.3	0	0	0	112.4	L890 D891 V894 L924 K930 S931 C932	L890-Y928 HydrophobicContact CB-CD2 4.36Å; L890-Y928 HydrophobicContact CB-CE2 3.47Å; L890-Y928 VanDerWaalsContact CB-CE2 3.47Å; L890-Y928 HydrophobicContact CD1-CE2 4.4Å; D891-Y928 HydrophobicContact CB-CE1 3.84Å; D891-Y928 PolarHBondContact N-OH 2.66Å; V894-Y928 HydrophobicContact CG2-CD2 3.95Å; V894-Y928 HydrophobicContact CG2-CG 4.04Å; L924-Y928 PolarHBondContact O-N 2.66Å; L924-Y928 VanDerWaalsContact O-N 3.08Å; Y928-K930 VanDerWaalsContact C-N 3.35Å; Y928-K930 PolarHBondContact O-N 2.95Å; Y928-S931 PolarHBondContact O-N 2.96Å; Y928-S931 VanDerWaalsContact O-N 3.13Å; Y928-C932 WeakPolarHBondContact O-CB 3.47Å; Y928-C932 PolarHBondContact O-N 3.46Å
929	P	79.3	Confident	83.5	Confident	46 Å²	46	45 Å²	45	30%	0.299	20%	0.204	S	C	.	.	H	α-helix	trans	-55.3	-47.6	-169.8	19.2	-31.1	0	0	0	112.2	L925 W927 S931 Y933 Y960	L925-P929 VanDerWaalsContact O-CA 3.28Å; L925-P929 WeakPolarHBondContact O-CA 3.34Å; L925-P929 WeakPolarHBondContact O-CB 3.46Å; L925-P929 VanDerWaalsContact O-CD 3.25Å; L925-P929 WeakPolarHBondContact O-CD 3.49Å; W927-P929 VanDerWaalsContact C-CD 3.41Å; P929-S931 PolarHBondContact O-N 3.34Å; P929-Y933 WeakPolarHBondContact O-CB 3.37Å; P929-Y933 PolarHBondContact O-N 2.89Å; P929-Y960 HydrophobicContact CB-CD2 3.75Å; P929-Y960 HydrophobicContact CB-CE2 3.96Å; P929-Y960 WeakPolarHBondContact O-CD2 3.24Å
930	K	83.2	Confident	82.9	Confident	158 Å²	158	45.3 Å²	45.3	69%	0.687	21%	0.208	S	C	*	.	H	α-helix	trans	-62.2	-43.5	-180	-63.7	-174.5	178.2	178.5	0	112.8	Y928 R934 Y960	Y928-K930 VanDerWaalsContact C-N 3.35Å; Y928-K930 PolarHBondContact O-N 2.95Å; K930-R934 WeakPolarHBondContact O-CB 3.31Å; K930-R934 PolarHBondContact O-N 3.16Å; K930-R934 VanDerWaalsContact O-N 3.1Å; K930-Y960 HydrophobicContact CG-CE2 4.14Å
931	S	87.8	Confident	81.8	Confident	40 Å²	40	49.8 Å²	49.8	28%	0.28	24%	0.24	S	C	.	.	H	α-helix	trans	-74.5	-50.2	-176.8	-60.2	0	0	0	0	111.5	Y928 P929 Y933 R934 I935	Y928-S931 PolarHBondContact O-N 2.96Å; Y928-S931 VanDerWaalsContact O-N 3.13Å; P929-S931 PolarHBondContact O-N 3.34Å; S931-Y933 PolarHBondContact O-N 2.9Å; S931-R934 PolarHBondContact O-N 3.18Å; S931-I935 WeakPolarHBondContact O-CD1 3.23Å; S931-I935 VanDerWaalsContact O-CG1 3.26Å; S931-I935 WeakPolarHBondContact O-CG1 3.38Å; S931-I935 PolarHBondContact O-N 2.93Å
932	C	86.8	Confident	80.5	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-43.1	179.4	-66.6	0	0	0	0	111.5	L921 L925 Y928 I935 L936	L921-C932 HydrophobicContact CB-CB 4.48Å; L921-C932 HydrophobicContact CD2-CB 4.33Å; L925-C932 HydrophobicContact CD2-CB 3.7Å; L925-C932 HydrophobicContact CG-CB 4.16Å; Y928-C932 WeakPolarHBondContact O-CB 3.47Å; Y928-C932 PolarHBondContact O-N 3.46Å; C932-I935 PolarHBondContact O-N 2.87Å; C932-L936 WeakPolarHBondContact O-CB 3.36Å; C932-L936 VanDerWaalsContact O-CG 3.28Å; C932-L936 WeakPolarHBondContact O-CG 3.38Å; C932-L936 PolarHBondContact O-N 3.42Å
933	Y	84.2	Confident	78.9	Confident	35 Å²	35	55.7 Å²	55.7	14%	0.137	29%	0.292	C	S	.	.	H	α-helix	trans	-64.8	-40.2	175.5	-176	-109.2	0	0	0	112.5	P929 S931 I935 K937 F953 A956 K957 Y960	P929-Y933 WeakPolarHBondContact O-CB 3.37Å; P929-Y933 PolarHBondContact O-N 2.89Å; S931-Y933 PolarHBondContact O-N 2.9Å; Y933-I935 PolarHBondContact O-N 3.41Å; Y933-K937 HydrophobicContact CE1-CD 4.48Å; Y933-K937 WeakPolarHBondContact O-CB 3.36Å; Y933-K937 PolarHBondContact O-N 2.95Å; Y933-F953 HydrophobicContact CD2-CE2 4.17Å; Y933-F953 HydrophobicContact CE2-CD2 4.4Å; Y933-F953 AromaticContact CE2-CE2 3.5Å; Y933-F953 HydrophobicContact CE2-CE2 3.5Å; Y933-F953 AromaticContact CE2-CZ 3.78Å; Y933-F953 HydrophobicContact CE2-CZ 3.78Å; Y933-F953 AromaticContact CZ-CE2 4Å; Y933-F953 AromaticContact CZ-CZ 3.94Å; Y933-A956 HydrophobicContact CD2-CB 4.41Å; Y933-K957 HydrophobicContact CE2-CB 4.14Å; Y933-Y960 AromaticContact CD1-CD1 3.4Å; Y933-Y960 HydrophobicContact CD1-CD1 3.4Å; Y933-Y960 HydrophobicContact CD1-CD2 4.36Å; Y933-Y960 AromaticContact CD1-CE1 3.54Å; Y933-Y960 HydrophobicContact CD1-CE1 3.54Å; Y933-Y960 HydrophobicContact CD1-CE2 4.47Å; Y933-Y960 AromaticContact CD1-CG 3.85Å; Y933-Y960 HydrophobicContact CD1-CG 3.85Å; Y933-Y960 HydrophobicContact CD2-CD1 4.16Å; Y933-Y960 HydrophobicContact CD2-CG 4.04Å; Y933-Y960 AromaticContact CE1-CD1 3.63Å; Y933-Y960 HydrophobicContact CE1-CD1 3.63Å; Y933-Y960 AromaticContact CE1-CE1 3.85Å; Y933-Y960 HydrophobicContact CE1-CE1 3.85Å; Y933-Y960 HydrophobicContact CE1-CG 4.42Å; Y933-Y960 HydrophobicContact CE2-CD1 4.38Å; Y933-Y960 AromaticContact CG-CD1 3.68Å; Y933-Y960 HydrophobicContact CG-CD1 3.68Å; Y933-Y960 HydrophobicContact CG-CD2 4.08Å; Y933-Y960 HydrophobicContact CG-CE1 4.19Å; Y933-Y960 AromaticContact CG-CG 3.63Å; Y933-Y960 HydrophobicContact CG-CG 3.63Å
934	R	88.4	Confident	77.4	Confident	109 Å²	109	55.1 Å²	55.1	41%	0.411	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-44.3	174	178.2	-179.7	61.4	86.3	16.9	112	E898 K930 S931 K938	E898-R934 VanDerWaalsContact CD-NH2 3.32Å; E898-R934 IonicContact OE1-CZ 2.72Å; E898-R934 VanDerWaalsContact OE1-CZ 3.27Å; E898-R934 IonicContact OE1-NH1 2.85Å; E898-R934 PolarHBondContact OE1-NH1 2.92Å; E898-R934 IonicContact OE1-NH2 2.67Å; E898-R934 PolarHBondContact OE1-NH2 3.39Å; E898-R934 VanDerWaalsContact OE1-NH2 3.16Å; E898-R934 IonicContact OE2-CZ 2.59Å; E898-R934 IonicContact OE2-NH1 3.28Å; E898-R934 IonicContact OE2-NH2 3.13Å; E898-R934 PolarHBondContact OE2-NH2 3.21Å; K930-R934 WeakPolarHBondContact O-CB 3.31Å; K930-R934 PolarHBondContact O-N 3.16Å; K930-R934 VanDerWaalsContact O-N 3.1Å; S931-R934 PolarHBondContact O-N 3.18Å; R934-K938 WeakPolarHBondContact O-CG 3.39Å; R934-K938 PolarHBondContact O-N 3.2Å; R934-K938 VanDerWaalsContact O-N 3.07Å
935	I	87	Confident	75.5	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-68.4	-49.9	179.6	-60.3	156.2	0	0	0	110.4	V894 E898 L901 L921 S931 C932 Y933 K937 K938 E939	V894-I935 HydrophobicContact CG1-CD1 3.76Å; E898-I935 HydrophobicContact CB-CD1 3.8Å; E898-I935 HydrophobicContact CB-CG1 4.03Å; E898-I935 HydrophobicContact CG-CD1 4.28Å; E898-I935 HydrophobicContact CG-CG1 3.98Å; L901-I935 HydrophobicContact CD1-CG2 3.7Å; L921-I935 HydrophobicContact CD1-CB 4.07Å; L921-I935 HydrophobicContact CD1-CG2 3.51Å; L921-I935 HydrophobicContact CD2-CD1 4.05Å; S931-I935 WeakPolarHBondContact O-CD1 3.23Å; S931-I935 VanDerWaalsContact O-CG1 3.26Å; S931-I935 WeakPolarHBondContact O-CG1 3.38Å; S931-I935 PolarHBondContact O-N 2.93Å; C932-I935 PolarHBondContact O-N 2.87Å; Y933-I935 PolarHBondContact O-N 3.41Å; I935-K937 PolarHBondContact O-N 3.01Å; I935-K938 WeakPolarHBondContact O-CB 3.49Å; I935-K938 PolarHBondContact O-N 3.28Å; I935-K938 VanDerWaalsContact O-N 3.12Å; I935-E939 PolarHBondContact O-N 2.89Å
936	L	83.1	Confident	74.2	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	33%	0.33	C	S	.	.	H	α-helix	trans	-61.3	-31.9	177.7	-68.7	168.7	0	0	0	112.5	A918 L921 V922 C932 C940 F953 A956	A918-L936 HydrophobicContact CB-CD2 3.91Å; L921-L936 HydrophobicContact CB-CD1 4.14Å; L921-L936 HydrophobicContact CB-CD2 4.07Å; L921-L936 HydrophobicContact CB-CG 4.08Å; L921-L936 HydrophobicContact CD1-CD2 4.27Å; L921-L936 HydrophobicContact CD1-CG 4.4Å; V922-L936 HydrophobicContact CG2-CD1 3.66Å; V922-L936 HydrophobicContact CG2-CD2 4.38Å; C932-L936 WeakPolarHBondContact O-CB 3.36Å; C932-L936 VanDerWaalsContact O-CG 3.28Å; C932-L936 WeakPolarHBondContact O-CG 3.38Å; C932-L936 PolarHBondContact O-N 3.42Å; L936-C940 WeakPolarHBondContact O-CB 3.44Å; L936-C940 PolarHBondContact O-N 3.4Å; L936-F953 HydrophobicContact CB-CD2 4.4Å; L936-A956 HydrophobicContact CD1-CB 3.72Å
937	K	82.3	Confident	73.3	Confident	119 Å²	119	61.3 Å²	61.3	52%	0.517	34%	0.343	S	S	.	.	H	α-helix	trans	-69.5	-42.3	173.2	-168.5	176.5	178.9	-176.4	0	112.5	Y933 I935 C940 S941 F953	Y933-K937 HydrophobicContact CE1-CD 4.48Å; Y933-K937 WeakPolarHBondContact O-CB 3.36Å; Y933-K937 PolarHBondContact O-N 2.95Å; I935-K937 PolarHBondContact O-N 3.01Å; K937-C940 PolarHBondContact O-N 2.95Å; K937-S941 WeakPolarHBondContact O-CB 3.35Å; K937-S941 PolarHBondContact O-N 3.41Å; K937-S941 VanDerWaalsContact O-N 3.09Å; K937-S941 PolarHBondContact O-OG 3.38Å; K937-F953 HydrophobicContact CB-CE2 3.75Å; K937-F953 HydrophobicContact CB-CZ 4.39Å; K937-F953 HydrophobicContact CG-CE2 4Å; K937-F953 HydrophobicContact CG-CZ 4.15Å
938	K	82.4	Confident	72.2	Confident	74 Å²	74	60.2 Å²	60.2	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-54.1	-55.1	172.1	-75.5	174.4	170.7	179.5	0	109.6	E898 E902 R934 I935 C940 S941 A942	E898-K938 IonicContact OE1-NZ 3.41Å; E898-K938 PolarHBondContact OE1-NZ 2.92Å; E902-K938 IonicContact OE1-NZ 3.58Å; E902-K938 PolarHBondContact OE1-NZ 3.4Å; R934-K938 WeakPolarHBondContact O-CG 3.39Å; R934-K938 PolarHBondContact O-N 3.2Å; R934-K938 VanDerWaalsContact O-N 3.07Å; I935-K938 WeakPolarHBondContact O-CB 3.49Å; I935-K938 PolarHBondContact O-N 3.28Å; I935-K938 VanDerWaalsContact O-N 3.12Å; K938-C940 PolarHBondContact O-N 3.13Å; K938-S941 PolarHBondContact O-N 3.03Å; K938-S941 PolarHBondContact O-OG 2.84Å; K938-A942 WeakPolarHBondContact O-CB 3.39Å; K938-A942 PolarHBondContact O-N 3.28Å; K938-A942 VanDerWaalsContact O-N 3.1Å
939	E	75.7	Confident	71.1	Confident	13 Å²	13	57.7 Å²	57.7	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-56.2	-49.9	-179.8	-69.4	-60.3	110.6	0	0	112.6	L901 R914 I935 S941 A942 W949	L901-E939 HydrophobicContact CB-CG 4.44Å; L901-E939 HydrophobicContact CD1-CG 4.11Å; L901-E939 HydrophobicContact CD2-CG 4.36Å; R914-E939 IonicContact CZ-OE1 2.72Å; R914-E939 IonicContact CZ-OE2 3.76Å; R914-E939 VanDerWaalsContact CZ-OE2 3.26Å; R914-E939 IonicContact NE-OE2 3.27Å; R914-E939 PolarHBondContact NE-OE2 3.41Å; R914-E939 VanDerWaalsContact NE-OE2 3.09Å; R914-E939 IonicContact NH2-OE1 3.42Å; R914-E939 PolarHBondContact NH2-OE1 3.05Å; R914-E939 IonicContact NH2-OE2 3.14Å; R914-E939 PolarHBondContact NH2-OE2 3.04Å; I935-E939 PolarHBondContact O-N 2.89Å; E939-S941 PolarHBondContact O-N 3.43Å; E939-A942 PolarHBondContact O-N 2.92Å; E939-W949 HydrophobicContact CB-CE3 3.85Å; E939-W949 HydrophobicContact CB-CH2 4.18Å; E939-W949 HydrophobicContact CB-CZ3 3.49Å; E939-W949 VanDerWaalsContact CB-CZ3 3.49Å; E939-W949 HydrophobicContact CG-CH2 4.15Å; E939-W949 HydrophobicContact CG-CZ3 3.79Å; E939-W949 WeakPolarHBondContact OE2-CH2 3.29Å
940	C	70.7	Confident	70.3	Confident	30 Å²	30	63.2 Å²	63.2	20%	0.203	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-20.6	180	-165.8	0	0	0	0	113.3	L936 K937 K938 A945 F953	L936-C940 WeakPolarHBondContact O-CB 3.44Å; L936-C940 PolarHBondContact O-N 3.4Å; K937-C940 PolarHBondContact O-N 2.95Å; K938-C940 PolarHBondContact O-N 3.13Å; C940-A945 WeakPolarHBondContact O-CB 3.25Å; C940-F953 HydrophobicContact CB-CB 3.98Å; C940-F953 HydrophobicContact CB-CD1 4.38Å; C940-F953 HydrophobicContact CB-CD2 4.05Å; C940-F953 HydrophobicContact CB-CG 3.85Å
941	S	66.5	Low	69.5	Low	94 Å²	94	61.5 Å²	61.5	66%	0.657	34%	0.335	S	S	*	.	H	α-helix	trans	-88.4	-15.5	173.6	67.7	0	0	0	0	114.3	K937 K938 E939 A943	K937-S941 WeakPolarHBondContact O-CB 3.35Å; K937-S941 PolarHBondContact O-N 3.41Å; K937-S941 VanDerWaalsContact O-N 3.09Å; K937-S941 PolarHBondContact O-OG 3.38Å; K938-S941 PolarHBondContact O-N 3.03Å; K938-S941 PolarHBondContact O-OG 2.84Å; E939-S941 PolarHBondContact O-N 3.43Å; S941-A943 PolarHBondContact O-N 2.89Å
942	A	60.6	Low	68.3	Low	51 Å²	51	60.2 Å²	60.2	42%	0.421	32%	0.324	S	S	.	.	S	Bend	trans	-83.4	43.6	-168.9	0	0	0	0	0	114.5	K938 E939 T944	K938-A942 WeakPolarHBondContact O-CB 3.39Å; K938-A942 PolarHBondContact O-N 3.28Å; K938-A942 VanDerWaalsContact O-N 3.1Å; E939-A942 PolarHBondContact O-N 2.92Å; A942-T944 PolarHBondContact O-N 3.42Å
943	A	48.3	Very low	67.3	Low	103 Å²	103	61.4 Å²	61.4	85%	0.851	33%	0.329	S	S	*	.	S	Bend	trans	58.4	-22.4	170.6	0	0	0	0	0	119.2	S941 A945	S941-A943 PolarHBondContact O-N 2.89Å; A943-A945 VanDerWaalsContact C-N 3.33Å
944	T	50.7	Low	66.6	Low	100 Å²	100	63.1 Å²	63.1	61%	0.613	34%	0.339	S	S	*	.			trans	-97.1	24.8	178.6	62.1	0	0	0	0	112.6	A942 D946	A942-T944 PolarHBondContact O-N 3.42Å; T944-D946 VanDerWaalsContact C-N 3.26Å; T944-D946 PolarHBondContact O-N 3.19Å
945	A	46.7	Very low	65.3	Low	16 Å²	16	61.6 Å²	61.6	13%	0.132	34%	0.337	C	S	.	.			trans	-78.3	72.7	-174.2	0	0	0	0	0	112.3	C940 A943 W949 R950	C940-A945 WeakPolarHBondContact O-CB 3.25Å; A943-A945 VanDerWaalsContact C-N 3.33Å; A945-W949 HydrophobicContact CB-CB 4.17Å; A945-R950 PolarHBondContact O-NE 2.93Å
946	D	54.7	Low	64.2	Low	94 Å²	94	61.5 Å²	61.5	50%	0.503	34%	0.337	S	S	.	.			trans	-46.4	155.6	163.7	-158.9	-8.5	0	0	0	111.1	T944 Q948 W949	T944-D946 VanDerWaalsContact C-N 3.26Å; T944-D946 PolarHBondContact O-N 3.19Å; D946-Q948 PolarHBondContact O-N 2.96Å; D946-W949 WeakPolarHBondContact O-CB 3.39Å; D946-W949 PolarHBondContact O-N 2.98Å
947	A	55.5	Low	63.4	Low	70 Å²	70	64.7 Å²	64.7	58%	0.579	35%	0.351	S	S	*	.	H	α-helix	trans	-55.4	-27.8	-170.3	0	0	0	0	0	113.5	R950 R951	A947-R950 PolarHBondContact O-N 2.82Å; A947-R951 PolarHBondContact O-N 3.49Å; A947-R951 VanDerWaalsContact O-N 3.08Å
948	Q	58.2	Low	62.4	Low	36 Å²	36	63.6 Å²	63.6	17%	0.168	35%	0.347	C	S	.	.	H	α-helix	trans	-57.5	-46.4	174.3	-38.8	-175.7	1.3	0	0	112.4	F804 G809 D946 R951 L952	F804-Q948 VanDerWaalsContact CZ-NE2 3.27Å; F804-Q948 VanDerWaalsContact CZ-OE1 3.25Å; G809-Q948 PolarHBondContact O-OE1 2.87Å; G809-Q948 VanDerWaalsContact O-OE1 3.13Å; D946-Q948 PolarHBondContact O-N 2.96Å; Q948-R951 PolarHBondContact O-N 3.5Å; Q948-L952 PolarHBondContact O-N 3.49Å
949	W	61.1	Low	61.3	Low	19 Å²	19	62.1 Å²	62.1	7%	0.072	34%	0.344	C	S	.	.	H	α-helix	trans	-64.2	-41.4	178	-73.7	98.5	0	0	0	111.7	L901 R914 A918 E939 A945 D946 R951 L952 F953	L901-W949 HydrophobicContact CD2-CH2 4.28Å; R914-W949 HydrophobicContact CB-CH2 3.88Å; R914-W949 HydrophobicContact CB-CZ2 3.61Å; A918-W949 HydrophobicContact CB-CE3 4.25Å; A918-W949 HydrophobicContact CB-CH2 3.81Å; A918-W949 HydrophobicContact CB-CZ3 3.49Å; A918-W949 VanDerWaalsContact CB-CZ3 3.49Å; E939-W949 HydrophobicContact CB-CE3 3.85Å; E939-W949 HydrophobicContact CB-CH2 4.18Å; E939-W949 HydrophobicContact CB-CZ3 3.49Å; E939-W949 VanDerWaalsContact CB-CZ3 3.49Å; E939-W949 HydrophobicContact CG-CH2 4.15Å; E939-W949 HydrophobicContact CG-CZ3 3.79Å; E939-W949 WeakPolarHBondContact OE2-CH2 3.29Å; A945-W949 HydrophobicContact CB-CB 4.17Å; D946-W949 WeakPolarHBondContact O-CB 3.39Å; D946-W949 PolarHBondContact O-N 2.98Å; W949-R951 VanDerWaalsContact C-N 3.32Å; W949-R951 PolarHBondContact O-N 3.45Å; W949-L952 PolarHBondContact O-N 3.41Å; W949-F953 WeakPolarHBondContact O-CB 3.46Å; W949-F953 PolarHBondContact O-N 3Å
950	R	62.1	Low	60.5	Low	162 Å²	162	65.8 Å²	65.8	61%	0.611	36%	0.358	S	S	*	.	H	α-helix	trans	-63.2	-41	176.8	-53.6	-175.5	-161.8	-177.5	4	110.8	A945 A947 F953 E954	A945-R950 PolarHBondContact O-NE 2.93Å; A947-R950 PolarHBondContact O-N 2.82Å; R950-F953 PolarHBondContact O-N 3.07Å; R950-E954 WeakPolarHBondContact O-CB 3.37Å; R950-E954 WeakPolarHBondContact O-CG 3.19Å; R950-E954 PolarHBondContact O-N 3.5Å
951	R	66.5	Low	59.9	Low	122 Å²	122	68.4 Å²	68.4	46%	0.46	37%	0.373	S	S	.	.	H	α-helix	trans	-64.9	-44.4	176.6	-170.4	-180	177.7	-127.1	-3.4	112.6	T808 D810 A947 Q948 W949 M955	T808-R951 PolarHBondContact O-NH1 3.24Å; T808-R951 VanDerWaalsContact O-NH1 3.17Å; D810-R951 IonicContact OD2-NH1 2.94Å; D810-R951 PolarHBondContact OD2-NH1 2.61Å; A947-R951 PolarHBondContact O-N 3.49Å; A947-R951 VanDerWaalsContact O-N 3.08Å; Q948-R951 PolarHBondContact O-N 3.5Å; W949-R951 VanDerWaalsContact C-N 3.32Å; W949-R951 PolarHBondContact O-N 3.45Å; R951-M955 HydrophobicContact CG-CE 4.42Å; R951-M955 WeakPolarHBondContact O-CG 3.48Å; R951-M955 PolarHBondContact O-N 3.38Å; R951-M955 VanDerWaalsContact O-N 3.1Å
952	L	62.8	Low	59.3	Low	12 Å²	12	68.4 Å²	68.4	6%	0.063	37%	0.366	C	S	.	.	H	α-helix	trans	-65.2	-40.6	174.9	-71.8	167.9	0	0	0	111.7	A918 Q919 V922 Q948 W949 M955 A956	A918-L952 HydrophobicContact CB-CD1 3.98Å; Q919-L952 HydrophobicContact CG-CD2 4.4Å; V922-L952 HydrophobicContact CG2-CB 4.28Å; V922-L952 HydrophobicContact CG2-CD2 4.15Å; Q948-L952 PolarHBondContact O-N 3.49Å; W949-L952 PolarHBondContact O-N 3.41Å; L952-M955 HydrophobicContact CD2-CE 3.9Å; L952-A956 WeakPolarHBondContact O-CB 3.41Å; L952-A956 PolarHBondContact O-N 2.91Å
953	F	66.5	Low	58.8	Low	25 Å²	25	68.6 Å²	68.6	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-68.7	-40.5	177.6	-179.7	-104	0	0	0	112.6	Y933 L936 K937 C940 W949 R950 A956 K957	Y933-F953 HydrophobicContact CD2-CE2 4.17Å; Y933-F953 HydrophobicContact CE2-CD2 4.4Å; Y933-F953 AromaticContact CE2-CE2 3.5Å; Y933-F953 HydrophobicContact CE2-CE2 3.5Å; Y933-F953 AromaticContact CE2-CZ 3.78Å; Y933-F953 HydrophobicContact CE2-CZ 3.78Å; Y933-F953 AromaticContact CZ-CE2 4Å; Y933-F953 AromaticContact CZ-CZ 3.94Å; L936-F953 HydrophobicContact CB-CD2 4.4Å; K937-F953 HydrophobicContact CB-CE2 3.75Å; K937-F953 HydrophobicContact CB-CZ 4.39Å; K937-F953 HydrophobicContact CG-CE2 4Å; K937-F953 HydrophobicContact CG-CZ 4.15Å; C940-F953 HydrophobicContact CB-CB 3.98Å; C940-F953 HydrophobicContact CB-CD1 4.38Å; C940-F953 HydrophobicContact CB-CD2 4.05Å; C940-F953 HydrophobicContact CB-CG 3.85Å; W949-F953 WeakPolarHBondContact O-CB 3.46Å; W949-F953 PolarHBondContact O-N 3Å; R950-F953 PolarHBondContact O-N 3.07Å; F953-A956 CarbonylContact O-C 3.55Å; F953-A956 WeakPolarHBondContact O-CB 3.26Å; F953-A956 PolarHBondContact O-N 3.42Å; F953-K957 HydrophobicContact CE1-CD 4.02Å; F953-K957 VanDerWaalsContact O-CB 3.22Å; F953-K957 WeakPolarHBondContact O-CB 3.4Å; F953-K957 PolarHBondContact O-N 2.91Å
954	E	68.1	Low	58.8	Low	71 Å²	71	69.7 Å²	69.7	33%	0.332	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-39.1	175.7	-75	-61.7	150.8	0	0	111.8	R950 A956 K957 H958	R950-E954 WeakPolarHBondContact O-CB 3.37Å; R950-E954 WeakPolarHBondContact O-CG 3.19Å; R950-E954 PolarHBondContact O-N 3.5Å; E954-A956 VanDerWaalsContact C-N 3.32Å; E954-A956 PolarHBondContact O-N 3.45Å; E954-K957 PolarHBondContact O-N 2.85Å; E954-K957 IonicContact OE1-NZ 2.68Å; E954-K957 PolarHBondContact OE1-NZ 3.02Å; E954-K957 IonicContact OE2-NZ 3.16Å; E954-K957 PolarHBondContact OE2-NZ 2.97Å; E954-H958 PolarHBondContact O-CD2 3.11Å; E954-H958 PolarHBondContact O-N 3.34Å
955	M	62.7	Low	58.5	Low	77 Å²	77	68.3 Å²	68.3	38%	0.379	35%	0.35	S	S	.	.	H	α-helix	trans	-60.5	-41.3	168.7	-72.3	-172.6	-64.5	0	0	112	R951 L952 K957 V959	R951-M955 HydrophobicContact CG-CE 4.42Å; R951-M955 WeakPolarHBondContact O-CG 3.48Å; R951-M955 PolarHBondContact O-N 3.38Å; R951-M955 VanDerWaalsContact O-N 3.1Å; L952-M955 HydrophobicContact CD2-CE 3.9Å; M955-K957 VanDerWaalsContact C-N 3.35Å; M955-V959 WeakPolarHBondContact O-CG2 3.31Å; M955-V959 PolarHBondContact O-N 3.17Å; M955-V959 VanDerWaalsContact O-N 3.15Å
956	A	62.5	Low	58.1	Low	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-66	-36.4	175.8	0	0	0	0	0	113.1	V922 L925 Y933 L936 L952 F953 E954 V959 Y960	V922-A956 HydrophobicContact CG2-CB 4.48Å; L925-A956 HydrophobicContact CD1-CB 3.63Å; Y933-A956 HydrophobicContact CD2-CB 4.41Å; L936-A956 HydrophobicContact CD1-CB 3.72Å; L952-A956 WeakPolarHBondContact O-CB 3.41Å; L952-A956 PolarHBondContact O-N 2.91Å; F953-A956 CarbonylContact O-C 3.55Å; F953-A956 WeakPolarHBondContact O-CB 3.26Å; F953-A956 PolarHBondContact O-N 3.42Å; E954-A956 VanDerWaalsContact C-N 3.32Å; E954-A956 PolarHBondContact O-N 3.45Å; A956-V959 PolarHBondContact O-N 3.46Å; A956-Y960 WeakPolarHBondContact O-CB 3.48Å; A956-Y960 PolarHBondContact O-N 2.66Å
957	K	66.6	Low	57.1	Low	71 Å²	71	82.2 Å²	82.2	31%	0.309	42%	0.415	S	S	.	.	H	α-helix	trans	-68.9	-44.2	177.5	175	168.4	152.2	-111	0	111.1	Y933 F953 E954 M955 V959 Y960 V961	Y933-K957 HydrophobicContact CE2-CB 4.14Å; F953-K957 HydrophobicContact CE1-CD 4.02Å; F953-K957 VanDerWaalsContact O-CB 3.22Å; F953-K957 WeakPolarHBondContact O-CB 3.4Å; F953-K957 PolarHBondContact O-N 2.91Å; E954-K957 PolarHBondContact O-N 2.85Å; E954-K957 IonicContact OE1-NZ 2.68Å; E954-K957 PolarHBondContact OE1-NZ 3.02Å; E954-K957 IonicContact OE2-NZ 3.16Å; E954-K957 PolarHBondContact OE2-NZ 2.97Å; M955-K957 VanDerWaalsContact C-N 3.35Å; K957-V959 PolarHBondContact O-N 3.43Å; K957-Y960 PolarHBondContact O-N 3.13Å; K957-V961 HydrophobicContact CG-CB 4.48Å; K957-V961 HydrophobicContact CG-CG2 4Å; K957-V961 WeakPolarHBondContact O-CA 3.33Å; K957-V961 WeakPolarHBondContact O-CB 3.4Å; K957-V961 WeakPolarHBondContact O-CG2 3.47Å; K957-V961 PolarHBondContact O-N 2.78Å
958	H	62.1	Low	57.2	Low	95 Å²	95	82.9 Å²	82.9	44%	0.44	41%	0.407	S	S	.	.	H	α-helix	trans	-58.6	-44.4	171.4	-73.1	-57.5	0	0	0	112.1	E954 D962	E954-H958 PolarHBondContact O-CD2 3.11Å; E954-H958 PolarHBondContact O-N 3.34Å; H958-D962 IonicContact CE1-OD2 2.65Å; H958-D962 IonicContact CG-OD2 2.75Å; H958-D962 IonicContact ND1-OD2 2.61Å; H958-D962 PolarHBondContact ND1-OD2 3.47Å; H958-D962 WeakPolarHBondContact O-CB 3.46Å; H958-D962 PolarHBondContact O-N 3.23Å
959	V	58.5	Low	57.2	Low	44 Å²	44	85.3 Å²	85.3	27%	0.267	42%	0.42	S	S	.	.	H	α-helix	trans	-66.9	-37.3	177.7	172.7	0	0	0	0	112.6	L925 M955 A956 K957 M965	L925-V959 HydrophobicContact CB-CG1 4.09Å; L925-V959 HydrophobicContact CD1-CB 4.29Å; L925-V959 HydrophobicContact CD1-CG1 4.3Å; M955-V959 WeakPolarHBondContact O-CG2 3.31Å; M955-V959 PolarHBondContact O-N 3.17Å; M955-V959 VanDerWaalsContact O-N 3.15Å; A956-V959 PolarHBondContact O-N 3.46Å; K957-V959 PolarHBondContact O-N 3.43Å; V959-M965 HydrophobicContact CG1-CE 4.18Å; V959-M965 HydrophobicContact CG1-CG 4.23Å
960	Y	58.1	Low	56.9	Low	89 Å²	89	89 Å²	89	35%	0.349	44%	0.439	S	S	.	.	H	α-helix	trans	-89.9	-35.6	-173.4	-174.9	-93.2	0	0	0	114.6	P929 K930 Y933 A956 K957	P929-Y960 HydrophobicContact CB-CD2 3.75Å; P929-Y960 HydrophobicContact CB-CE2 3.96Å; P929-Y960 WeakPolarHBondContact O-CD2 3.24Å; K930-Y960 HydrophobicContact CG-CE2 4.14Å; Y933-Y960 AromaticContact CD1-CD1 3.4Å; Y933-Y960 HydrophobicContact CD1-CD1 3.4Å; Y933-Y960 HydrophobicContact CD1-CD2 4.36Å; Y933-Y960 AromaticContact CD1-CE1 3.54Å; Y933-Y960 HydrophobicContact CD1-CE1 3.54Å; Y933-Y960 HydrophobicContact CD1-CE2 4.47Å; Y933-Y960 AromaticContact CD1-CG 3.85Å; Y933-Y960 HydrophobicContact CD1-CG 3.85Å; Y933-Y960 HydrophobicContact CD2-CD1 4.16Å; Y933-Y960 HydrophobicContact CD2-CG 4.04Å; Y933-Y960 AromaticContact CE1-CD1 3.63Å; Y933-Y960 HydrophobicContact CE1-CD1 3.63Å; Y933-Y960 AromaticContact CE1-CE1 3.85Å; Y933-Y960 HydrophobicContact CE1-CE1 3.85Å; Y933-Y960 HydrophobicContact CE1-CG 4.42Å; Y933-Y960 HydrophobicContact CE2-CD1 4.38Å; Y933-Y960 AromaticContact CG-CD1 3.68Å; Y933-Y960 HydrophobicContact CG-CD1 3.68Å; Y933-Y960 HydrophobicContact CG-CD2 4.08Å; Y933-Y960 HydrophobicContact CG-CE1 4.19Å; Y933-Y960 AromaticContact CG-CG 3.63Å; Y933-Y960 HydrophobicContact CG-CG 3.63Å; A956-Y960 WeakPolarHBondContact O-CB 3.48Å; A956-Y960 PolarHBondContact O-N 2.66Å; K957-Y960 PolarHBondContact O-N 3.13Å
961	V	59.1	Low	56.6	Low	85 Å²	85	84.7 Å²	84.7	52%	0.515	43%	0.429	S	S	.	.	H	α-helix	trans	-97.6	-40.9	-173.2	-176.6	0	0	0	0	111.5	K957 G963	K957-V961 HydrophobicContact CG-CB 4.48Å; K957-V961 HydrophobicContact CG-CG2 4Å; K957-V961 WeakPolarHBondContact O-CA 3.33Å; K957-V961 WeakPolarHBondContact O-CB 3.4Å; K957-V961 WeakPolarHBondContact O-CG2 3.47Å; K957-V961 PolarHBondContact O-N 2.78Å; V961-G963 PolarHBondContact O-N 3.44Å
962	D	54.3	Low	56	Low	95 Å²	95	82.4 Å²	82.4	51%	0.508	43%	0.427	S	S	.	.	S	Bend	trans	-84.3	8.6	-174.2	-51.8	-18.6	0	0	0	113.1	H958 I964	H958-D962 IonicContact CE1-OD2 2.65Å; H958-D962 IonicContact CG-OD2 2.75Å; H958-D962 IonicContact ND1-OD2 2.61Å; H958-D962 PolarHBondContact ND1-OD2 3.47Å; H958-D962 WeakPolarHBondContact O-CB 3.46Å; H958-D962 PolarHBondContact O-N 3.23Å; D962-I964 PolarHBondContact O-N 3.08Å
963	G	48.8	Very low	55.6	Low	55 Å²	55	87.1 Å²	87.1	57%	0.567	45%	0.451	S	S	*	.			trans	71.8	22.1	164.6	0	0	0	0	0	116	V961 M965	V961-G963 PolarHBondContact O-N 3.44Å; G963-M965 PolarHBondContact O-N 3.46Å
964	I	50.3	Low	54.8	Low	126 Å²	126	91.5 Å²	91.5	65%	0.646	48%	0.476	S	S	*	.			trans	-70.9	-17.2	-178.8	-58	177.1	0	0	0	112.1	D962	D962-I964 PolarHBondContact O-N 3.08Å
965	M	42.4	Very low	53.8	Low	70 Å²	70	93.1 Å²	93.1	35%	0.345	49%	0.487	S	S	.	.	S	Bend	trans	-79.4	132.4	168.6	-77.2	-69.5	141.8	0	0	111.6	P926 V959 G963	P926-M965 HydrophobicContact CB-CE 3.71Å; P926-M965 HydrophobicContact CB-SD 4.04Å; P926-M965 HydrophobicContact CG-CE 3.74Å; V959-M965 HydrophobicContact CG1-CE 4.18Å; V959-M965 HydrophobicContact CG1-CG 4.23Å; G963-M965 PolarHBondContact O-N 3.46Å
966	P	38.4	Very low	53	Low	118 Å²	118	94.4 Å²	94.4	77%	0.766	50%	0.496	S	S	*	.			trans	-61.8	151.6	166.2	28.8	-33.9	0	0	0	110.7
967	K	35.1	Very low	52.2	Low	285 Å²	285	103 Å²	103	100%	1.239	54%	0.541	S	S	*	.			trans	-75.2	0	179.1	-73.6	-177.2	176.7	176.5	0	112.9

Retrieved 967 of 967 residues in 431.5 ms (Link to these results)

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