A0A077ZG58_TRITR Loading...

Lamin Dm0

AlphaFold DB , UniProt , Accession A0A077ZG58, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 574 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	37	Very low	247 Å²	247	173.6 Å²	173.6	100%	1.217	86%	0.864	S	S	*	*				0	93.3	0	-69.5	-90.3	-169.9	0	0	108.1
2	S	39	Very low	36.7	Very low	123 Å²	123	169.3 Å²	169.3	86%	0.86	85%	0.854	S	S	*	*			trans	-153.2	92.9	167.3	-151	0	0	0	0	107.3
3	Q	35.9	Very low	36.4	Very low	187 Å²	187	164.4 Å²	164.4	87%	0.874	84%	0.844	S	S	*	*			trans	-78.6	117.7	177.3	-69.2	-178.2	-2.7	0	0	107.7
4	K	41.9	Very low	36	Very low	200 Å²	200	165.5 Å²	165.5	87%	0.87	84%	0.844	S	S	*	*			trans	-96.9	96.1	-177.2	-154.5	173	-174	179.5	0	108.5
5	T	35.3	Very low	36	Very low	132 Å²	132	163.3 Å²	163.3	81%	0.81	84%	0.841	S	S	*	*			trans	-82.3	111.3	176.4	-55.7	0	0	0	0	109.7
6	T	45.9	Very low	35.6	Very low	127 Å²	127	164.6 Å²	164.6	78%	0.779	84%	0.843	S	S	*	*			trans	-94.9	113	176.4	-61.2	0	0	0	0	109.8
7	R	30.9	Very low	35.4	Very low	236 Å²	236	162.1 Å²	162.1	89%	0.891	84%	0.837	S	S	*	*			trans	-93.9	124.5	175.5	-159.6	179.5	-171.3	-174.2	2.3	108.5
8	R	40.4	Very low	35.1	Very low	238 Å²	238	158.2 Å²	158.2	90%	0.898	83%	0.833	S	S	*	*			trans	-106.3	116.1	-179	-161	176.8	-175.2	179.2	0.7	109.5
9	T	36.1	Very low	34.6	Very low	127 Å²	127	158.4 Å²	158.4	78%	0.779	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-89.1	130.1	175.8	-50.5	0	0	0	0	109.1
10	V	34.9	Very low	34.5	Very low	119 Å²	119	160.4 Å²	160.4	72%	0.721	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-102.5	117.6	179.6	-175.8	0	0	0	0	108.2
11	H	32.8	Very low	34.3	Very low	174 Å²	174	160 Å²	160	81%	0.806	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-88.6	118.5	169.7	-105.1	-62	0	0	0	109
12	V	33.5	Very low	34.5	Very low	122 Å²	122	154.3 Å²	154.3	74%	0.739	82%	0.815	S	S	*	*			trans	-96.3	111.2	169.3	175.8	0	0	0	0	107
13	S	32.7	Very low	34	Very low	105 Å²	105	154.6 Å²	154.6	73%	0.734	81%	0.812	S	S	*	*			trans	-97.5	113.9	174.4	-63.3	0	0	0	0	109.3
14	Q	30.5	Very low	33.6	Very low	180 Å²	180	148.9 Å²	148.9	84%	0.841	80%	0.803	S	S	*	*			trans	-73.2	131.1	167.7	-71.9	172.4	-39.7	0	0	109.1
15	V	35.6	Very low	32.8	Very low	132 Å²	132	148.2 Å²	148.2	80%	0.8	80%	0.803	S	S	*	*			trans	-113.2	114.8	166.8	178.1	0	0	0	0	107.4
16	Q	29.6	Very low	32.6	Very low	185 Å²	185	150.7 Å²	150.7	86%	0.864	81%	0.806	S	S	*	*			trans	-101.1	127.2	169.1	-80.9	175.2	-39.1	0	0	108.8
17	T	32.8	Very low	31.6	Very low	122 Å²	122	150.4 Å²	150.4	75%	0.748	81%	0.809	S	S	*	*			trans	-160.8	92.1	161.2	-8.3	0	0	0	0	107.4
18	A	30	Very low	31.7	Very low	92 Å²	92	144.6 Å²	144.6	76%	0.76	80%	0.802	S	S	*	*				51.7	91.9	97.8	0	0	0	0	0	112.7
19	L	26	Very low	31.1	Very low	162 Å²	162	141.9 Å²	141.9	85%	0.848	80%	0.799	S	S	*	*				48.7	95.3	85.2	-80	165.6	0	0	0	114.9
20	E	31.3	Very low	30.7	Very low	197 Å²	197	140.2 Å²	140.2	92%	0.921	80%	0.798	S	S	*	*			trans	-138	111.5	147	-88.9	-174.2	170.4	0	0	109.1
21	M	29.9	Very low	30.5	Very low	152 Å²	152	142.6 Å²	142.6	75%	0.749	81%	0.807	S	S	*	*			trans	-113.8	123.7	171	-80	-78.5	-68.5	0	0	107.1
22	P	38.7	Very low	30.3	Very low	128 Å²	128	143 Å²	143	83%	0.831	81%	0.809	S	S	*	*			trans	-94.6	113.3	162.4	19.8	-4.7	0	0	0	110.2
23	T	29.2	Very low	30.2	Very low	130 Å²	130	142.6 Å²	142.6	80%	0.798	81%	0.812	S	S	*	*			trans	-79.8	154.7	168.8	44.8	0	0	0	0	112.5
24	G	28	Very low	30.5	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	81%	0.813	S	S	*	*			trans	102.4	103.7	148.6	0	0	0	0	0	114.6
25	E	25.5	Very low	30.3	Very low	186 Å²	186	141.7 Å²	141.7	87%	0.869	81%	0.81	S	S	*	*				91.6	110.8	89.5	-88.1	-175.4	172	0	0	112.1
26	Q	30	Very low	30.2	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	80%	0.803	S	S	*	*				177.5	115.6	117.5	-93.9	173.1	26.3	0	0	111.1
27	S	24.2	Very low	31.2	Very low	120 Å²	120	137.9 Å²	137.9	84%	0.839	80%	0.802	S	S	*	*			trans	-72.7	148.8	158.8	-52.3	0	0	0	0	110.1
28	P	33.4	Very low	32	Very low	115 Å²	115	137 Å²	137	75%	0.747	80%	0.797	S	S	*	*			trans	-132.6	124.1	131.2	22.4	-4	0	0	0	112.9
29	Q	29.4	Very low	32.7	Very low	181 Å²	181	135.8 Å²	135.8	85%	0.846	78%	0.782	S	S	*	*			trans	36.4	107.7	135.1	-66.7	171.2	-28.8	0	0	117.8
30	A	27.2	Very low	34	Very low	92 Å²	92	133.2 Å²	133.2	76%	0.76	77%	0.773	S	S	*	*				57.3	89.7	79.7	0	0	0	0	0	113.5
31	N	31.1	Very low	35.2	Very low	168 Å²	168	127.5 Å²	127.5	90%	0.898	76%	0.755	S	S	*	*			trans	-129.1	111.5	155.1	-119.8	-5.7	0	0	0	108.5
32	Q	27.9	Very low	36.9	Very low	183 Å²	183	128.4 Å²	128.4	86%	0.855	75%	0.75	S	S	*	*			trans	-91.4	122.2	177.3	-64.7	175.5	-2.1	0	0	108
33	S	31.1	Very low	38.4	Very low	113 Å²	113	128.1 Å²	128.1	79%	0.79	74%	0.74	S	S	*	*			trans	-140.3	147	165.6	-81.8	0	0	0	0	109.1
34	P	38.1	Very low	40.5	Very low	119 Å²	119	124.5 Å²	124.5	77%	0.773	72%	0.724	S	S	*	*			trans	-86	124.8	-138.2	30.7	-33.8	0	0	0	114.7
35	L	28	Very low	42.8	Very low	148 Å²	148	125.7 Å²	125.7	78%	0.775	71%	0.712	S	S	*	*			trans	14.4	100.6	138	-59.9	167.5	0	0	0	117.8
36	T	32.7	Very low	45.5	Very low	107 Å²	107	123.6 Å²	123.6	66%	0.656	70%	0.7	S	S	*	*			trans	-117.6	148.5	142.3	40.3	0	0	0	0	109.2	T38	T36-T38 VanDerWaalsContact C-N 3.26Å; T36-T38 PolarHBondContact O-N 3.46Å
37	P	50.2	Low	47.8	Very low	129 Å²	129	121.4 Å²	121.4	84%	0.838	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	63.6	-156.4	33.8	-36.1	0	0	0	113.5
38	T	50	Low	50.5	Low	105 Å²	105	122.5 Å²	122.5	64%	0.644	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.5	-12	163.7	-41.2	0	0	0	0	111	T36	T36-T38 VanDerWaalsContact C-N 3.26Å; T36-T38 PolarHBondContact O-N 3.46Å
39	C	45.6	Very low	52.9	Low	66 Å²	66	121.8 Å²	121.8	45%	0.446	67%	0.671	S	S	.	*	H	α-helix	trans	-88.7	-19.4	-174.9	-65.4	0	0	0	0	115.7	S41 R42 L43	C39-S41 VanDerWaalsContact C-N 3.29Å; C39-S41 PolarHBondContact O-N 3.42Å; C39-R42 PolarHBondContact O-N 3.41Å; C39-R42 VanDerWaalsContact O-N 3.08Å; C39-L43 PolarHBondContact O-N 3.45Å
40	V	52.5	Low	55.5	Low	108 Å²	108	118.6 Å²	118.6	66%	0.655	66%	0.656	S	S	*	*	H	α-helix	trans	-67.6	-30.6	-179.3	-175.8	0	0	0	0	111.6	R42	V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.37Å
41	S	57.4	Low	58.2	Low	76 Å²	76	120.4 Å²	120.4	53%	0.531	65%	0.648	S	S	.	*	H	α-helix	trans	-60.2	-42	169.7	-160.9	0	0	0	0	111.4	C39 L43 E45	C39-S41 VanDerWaalsContact C-N 3.29Å; C39-S41 PolarHBondContact O-N 3.42Å; S41-L43 PolarHBondContact O-N 2.59Å; S41-E45 WeakPolarHBondContact O-CB 3.26Å; S41-E45 WeakPolarHBondContact O-CG 3.49Å; S41-E45 PolarHBondContact O-N 3.34Å; S41-E45 PolarHBondContact OG-OE1 3.11Å
42	R	63.8	Low	60.9	Low	171 Å²	171	116.9 Å²	116.9	65%	0.645	63%	0.629	S	S	*	*	H	α-helix	trans	-72.3	-29.7	-175	-64.3	-174.8	178.7	176.2	-0.4	114.2	C39 V40 K46	C39-R42 PolarHBondContact O-N 3.41Å; C39-R42 VanDerWaalsContact O-N 3.08Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.37Å; R42-K46 PolarHBondContact O-N 3.4Å; R42-K46 VanDerWaalsContact O-N 3.13Å
43	L	70.7	Confident	63.9	Low	122 Å²	122	112.5 Å²	112.5	64%	0.639	61%	0.611	S	S	*	*	H	α-helix	trans	-78	-39.4	-177.6	-157.5	86.9	0	0	0	112.3	C39 S41 K46 Q47	C39-L43 PolarHBondContact O-N 3.45Å; S41-L43 PolarHBondContact O-N 2.59Å; L43-K46 WeakPolarHBondContact O-CB 3.33Å; L43-K46 PolarHBondContact O-N 3.17Å; L43-Q47 PolarHBondContact O-N 3.3Å
44	A	74.3	Confident	66.5	Low	55 Å²	55	111.6 Å²	111.6	46%	0.455	60%	0.598	S	S	.	*	H	α-helix	trans	-65.4	-41.3	172.7	0	0	0	0	0	111.2	K46 Q47 Q48	A44-K46 VanDerWaalsContact C-N 3.26Å; A44-K46 PolarHBondContact O-N 3.14Å; A44-Q47 PolarHBondContact O-N 3.05Å; A44-Q48 PolarHBondContact O-N 3.34Å
45	E	75.9	Confident	69	Low	91 Å²	91	114.3 Å²	114.3	43%	0.425	59%	0.593	S	S	.	*	H	α-helix	trans	-56.4	-38.8	171.1	-77	162.1	-154.4	0	0	111.7	S41 Q48 L49	S41-E45 WeakPolarHBondContact O-CB 3.26Å; S41-E45 WeakPolarHBondContact O-CG 3.49Å; S41-E45 PolarHBondContact O-N 3.34Å; S41-E45 PolarHBondContact OG-OE1 3.11Å; E45-Q48 PolarHBondContact O-N 3.32Å; E45-L49 WeakPolarHBondContact O-CB 3.3Å; E45-L49 WeakPolarHBondContact O-CG 3.5Å; E45-L49 PolarHBondContact O-N 2.94Å
46	K	81.8	Confident	72	Confident	141 Å²	141	111 Å²	111	61%	0.613	58%	0.575	S	S	*	*	H	α-helix	trans	-66.1	-45.2	178.2	-171.9	-175.2	176.5	-175.1	0	113.5	R42 L43 A44 Q48 L49 Q50	R42-K46 PolarHBondContact O-N 3.4Å; R42-K46 VanDerWaalsContact O-N 3.13Å; L43-K46 WeakPolarHBondContact O-CB 3.33Å; L43-K46 PolarHBondContact O-N 3.17Å; A44-K46 VanDerWaalsContact C-N 3.26Å; A44-K46 PolarHBondContact O-N 3.14Å; K46-Q48 VanDerWaalsContact C-N 3.35Å; K46-L49 WeakPolarHBondContact O-CB 3.42Å; K46-L49 PolarHBondContact O-N 3.21Å; K46-Q50 PolarHBondContact O-N 3.47Å
47	Q	79.2	Confident	74.7	Confident	140 Å²	140	108.4 Å²	108.4	65%	0.654	57%	0.565	S	S	*	*	H	α-helix	trans	-67.2	-38.1	177.7	-78.5	-178.4	-17.8	0	0	111.6	L43 A44 L49 Q50 H51	L43-Q47 PolarHBondContact O-N 3.3Å; A44-Q47 PolarHBondContact O-N 3.05Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-Q50 PolarHBondContact O-N 3.32Å; Q47-H51 PolarHBondContact O-N 3.26Å
48	Q	80.7	Confident	76.8	Confident	143 Å²	143	108 Å²	108	67%	0.668	56%	0.555	S	S	*	*	H	α-helix	trans	-60.6	-43.1	170.6	-78.6	-179.1	-19.6	0	0	111.6	A44 E45 K46 Q50 L52	A44-Q48 PolarHBondContact O-N 3.34Å; E45-Q48 PolarHBondContact O-N 3.32Å; K46-Q48 VanDerWaalsContact C-N 3.35Å; Q48-Q50 VanDerWaalsContact C-N 3.33Å; Q48-Q50 PolarHBondContact O-N 3.08Å; Q48-L52 WeakPolarHBondContact O-CB 3.22Å; Q48-L52 PolarHBondContact O-N 3.49Å
49	L	83.3	Confident	78.8	Confident	99 Å²	99	110.2 Å²	110.2	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-62.2	-37.4	174.8	-77.3	167.5	0	0	0	112.5	E45 K46 Q47 L52 N53	E45-L49 WeakPolarHBondContact O-CB 3.3Å; E45-L49 WeakPolarHBondContact O-CG 3.5Å; E45-L49 PolarHBondContact O-N 2.94Å; K46-L49 WeakPolarHBondContact O-CB 3.42Å; K46-L49 PolarHBondContact O-N 3.21Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; L49-L52 PolarHBondContact O-N 3.19Å; L49-N53 VanDerWaalsContact O-CB 3.3Å; L49-N53 WeakPolarHBondContact O-CB 3.18Å; L49-N53 PolarHBondContact O-N 3.04Å; L49-N53 PolarHBondContact O-ND2 2.92Å; L49-N53 PolarHBondContact O-OD1 2.94Å
50	Q	83.6	Confident	81.1	Confident	115 Å²	115	111 Å²	111	54%	0.537	55%	0.552	S	S	.	*	H	α-helix	trans	-69.2	-47.4	178.3	-171.1	166.1	11.9	0	0	112.2	K46 Q47 Q48 L52 N53 D54	K46-Q50 PolarHBondContact O-N 3.47Å; Q47-Q50 PolarHBondContact O-N 3.32Å; Q48-Q50 VanDerWaalsContact C-N 3.33Å; Q48-Q50 PolarHBondContact O-N 3.08Å; Q50-L52 VanDerWaalsContact C-N 3.26Å; Q50-L52 PolarHBondContact O-N 3.37Å; Q50-N53 CarbonylContact O-C 3.58Å; Q50-N53 WeakPolarHBondContact O-CA 3.17Å; Q50-N53 WeakPolarHBondContact O-CB 3.29Å; Q50-N53 PolarHBondContact O-N 2.87Å; Q50-D54 PolarHBondContact O-N 3.45Å
51	H	85.1	Confident	83	Confident	129 Å²	129	112 Å²	112	60%	0.597	55%	0.549	S	S	*	.	H	α-helix	trans	-62.1	-37	174.1	179.2	-89.9	0	0	0	111.7	Q47 N53 R55	Q47-H51 PolarHBondContact O-N 3.26Å; H51-N53 VanDerWaalsContact C-N 3.32Å; H51-R55 VanDerWaalsContact O-CB 3.31Å; H51-R55 WeakPolarHBondContact O-CB 3.14Å; H51-R55 PolarHBondContact O-N 3.22Å
52	L	87.6	Confident	84.8	Confident	94 Å²	94	115.6 Å²	115.6	49%	0.492	55%	0.551	S	S	.	*	H	α-helix	trans	-63.5	-40	172.7	-163	74.6	0	0	0	111	Q48 L49 Q50 L56	Q48-L52 WeakPolarHBondContact O-CB 3.22Å; Q48-L52 PolarHBondContact O-N 3.49Å; L49-L52 PolarHBondContact O-N 3.19Å; Q50-L52 VanDerWaalsContact C-N 3.26Å; Q50-L52 PolarHBondContact O-N 3.37Å; L52-L56 HydrophobicContact CG-CD1 4.29Å; L52-L56 VanDerWaalsContact O-CB 3.3Å; L52-L56 WeakPolarHBondContact O-CB 3.38Å; L52-L56 WeakPolarHBondContact O-CD1 3.24Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 3.06Å
53	N	89.7	Confident	86.3	Confident	91 Å²	91	109.5 Å²	109.5	49%	0.487	53%	0.532	S	S	.	.	H	α-helix	trans	-67.3	-41.6	176.8	-75.1	-16.5	0	0	0	112.9	L49 Q50 H51 R55 L56 A57	L49-N53 VanDerWaalsContact O-CB 3.3Å; L49-N53 WeakPolarHBondContact O-CB 3.18Å; L49-N53 PolarHBondContact O-N 3.04Å; L49-N53 PolarHBondContact O-ND2 2.92Å; L49-N53 PolarHBondContact O-OD1 2.94Å; Q50-N53 CarbonylContact O-C 3.58Å; Q50-N53 WeakPolarHBondContact O-CA 3.17Å; Q50-N53 WeakPolarHBondContact O-CB 3.29Å; Q50-N53 PolarHBondContact O-N 2.87Å; H51-N53 VanDerWaalsContact C-N 3.32Å; N53-R55 VanDerWaalsContact C-N 3.34Å; N53-L56 CarbonylContact O-C 3.59Å; N53-L56 WeakPolarHBondContact O-CA 3.42Å; N53-L56 WeakPolarHBondContact O-CB 3.22Å; N53-L56 PolarHBondContact O-N 3.49Å; N53-A57 WeakPolarHBondContact O-CB 3.37Å; N53-A57 PolarHBondContact O-N 3.47Å
54	D	87.3	Confident	87.5	Confident	94 Å²	94	111.6 Å²	111.6	50%	0.503	53%	0.532	S	S	.	.	H	α-helix	trans	-66.5	-40	176.5	-66.6	-25.1	0	0	0	110.9	Q50 L56 A57 L58	Q50-D54 PolarHBondContact O-N 3.45Å; D54-L56 VanDerWaalsContact C-N 3.32Å; D54-L56 PolarHBondContact O-N 2.82Å; D54-A57 WeakPolarHBondContact O-CB 3.31Å; D54-A57 PolarHBondContact O-N 3.41Å; D54-L58 PolarHBondContact O-N 2.89Å
55	R	90.3	Very high	88.5	Confident	177 Å²	177	111.6 Å²	111.6	67%	0.668	53%	0.529	S	S	*	.	H	α-helix	trans	-65.1	-36.9	172.5	-169.5	175.1	170.5	-179.4	-3	111.7	H51 N53 Y59	H51-R55 VanDerWaalsContact O-CB 3.31Å; H51-R55 WeakPolarHBondContact O-CB 3.14Å; H51-R55 PolarHBondContact O-N 3.22Å; N53-R55 VanDerWaalsContact C-N 3.34Å; R55-Y59 VanDerWaalsContact O-CB 3.24Å; R55-Y59 WeakPolarHBondContact O-CB 3.49Å; R55-Y59 PolarHBondContact O-N 3.31Å
56	L	89.6	Confident	89.4	Confident	78 Å²	78	110.9 Å²	110.9	41%	0.408	53%	0.527	S	S	.	.	H	α-helix	trans	-65.3	-38.4	170.8	-82	160.9	0	0	0	111.5	L52 N53 D54 Y59 I60	L52-L56 HydrophobicContact CG-CD1 4.29Å; L52-L56 VanDerWaalsContact O-CB 3.3Å; L52-L56 WeakPolarHBondContact O-CB 3.38Å; L52-L56 WeakPolarHBondContact O-CD1 3.24Å; L52-L56 VanDerWaalsContact O-CG 3.23Å; L52-L56 WeakPolarHBondContact O-CG 3.43Å; L52-L56 PolarHBondContact O-N 3.06Å; N53-L56 CarbonylContact O-C 3.59Å; N53-L56 WeakPolarHBondContact O-CA 3.42Å; N53-L56 WeakPolarHBondContact O-CB 3.22Å; N53-L56 PolarHBondContact O-N 3.49Å; D54-L56 VanDerWaalsContact C-N 3.32Å; D54-L56 PolarHBondContact O-N 2.82Å; L56-Y59 CarbonylContact O-C 3.5Å; L56-Y59 WeakPolarHBondContact O-CB 3.23Å; L56-Y59 PolarHBondContact O-N 3.43Å; L56-I60 WeakPolarHBondContact O-CB 3.36Å; L56-I60 WeakPolarHBondContact O-CD1 3.49Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 2.87Å
57	A	91.1	Very high	90	Very high	53 Å²	53	109.1 Å²	109.1	44%	0.438	52%	0.521	S	S	.	.	H	α-helix	trans	-66	-48	178.4	0	0	0	0	0	111.6	N53 D54 Y59 I60 E61	N53-A57 WeakPolarHBondContact O-CB 3.37Å; N53-A57 PolarHBondContact O-N 3.47Å; D54-A57 WeakPolarHBondContact O-CB 3.31Å; D54-A57 PolarHBondContact O-N 3.41Å; A57-Y59 VanDerWaalsContact C-N 3.26Å; A57-Y59 PolarHBondContact O-N 3.4Å; A57-I60 PolarHBondContact O-N 3.45Å; A57-I60 VanDerWaalsContact O-N 3.16Å; A57-E61 PolarHBondContact O-N 2.99Å
58	L	92.6	Very high	90.8	Very high	119 Å²	119	106.5 Å²	106.5	62%	0.623	52%	0.515	S	S	*	.	H	α-helix	trans	-60.2	-38.3	172.3	-71.1	173.9	0	0	0	111.7	D54 R62	D54-L58 PolarHBondContact O-N 2.89Å; L58-R62 VanDerWaalsContact O-CB 3.29Å; L58-R62 WeakPolarHBondContact O-CB 3.43Å; L58-R62 PolarHBondContact O-N 3.01Å
59	Y	93.7	Very high	91.5	Very high	153 Å²	153	103.2 Å²	103.2	60%	0.6	50%	0.499	S	S	*	.	H	α-helix	trans	-63.3	-45.9	173.8	179.7	-95.6	0	0	0	111.6	R55 L56 A57 R62 V63	R55-Y59 VanDerWaalsContact O-CB 3.24Å; R55-Y59 WeakPolarHBondContact O-CB 3.49Å; R55-Y59 PolarHBondContact O-N 3.31Å; L56-Y59 CarbonylContact O-C 3.5Å; L56-Y59 WeakPolarHBondContact O-CB 3.23Å; L56-Y59 PolarHBondContact O-N 3.43Å; A57-Y59 VanDerWaalsContact C-N 3.26Å; A57-Y59 PolarHBondContact O-N 3.4Å; Y59-R62 PolarHBondContact O-N 2.9Å; Y59-V63 HydrophobicContact CD1-CG2 4.05Å; Y59-V63 HydrophobicContact CE1-CG2 3.67Å; Y59-V63 HydrophobicContact CE2-CG2 4.23Å; Y59-V63 HydrophobicContact CG-CG2 4.47Å; Y59-V63 WeakPolarHBondContact O-CB 3.14Å; Y59-V63 VanDerWaalsContact O-CG2 3.23Å; Y59-V63 WeakPolarHBondContact O-CG2 3.35Å; Y59-V63 PolarHBondContact O-N 3.05Å
60	I	93	Very high	92.1	Very high	83 Å²	83	102.3 Å²	102.3	43%	0.426	50%	0.495	S	S	.	.	H	α-helix	trans	-62.3	-44.8	177.5	-70.7	162.1	0	0	0	110.9	L56 A57 R62 V63 R64	L56-I60 WeakPolarHBondContact O-CB 3.36Å; L56-I60 WeakPolarHBondContact O-CD1 3.49Å; L56-I60 WeakPolarHBondContact O-CG1 3.39Å; L56-I60 PolarHBondContact O-N 2.87Å; A57-I60 PolarHBondContact O-N 3.45Å; A57-I60 VanDerWaalsContact O-N 3.16Å; I60-R62 VanDerWaalsContact C-N 3.35Å; I60-V63 PolarHBondContact O-N 2.84Å; I60-R64 HydrophobicContact CG2-CG 4.46Å; I60-R64 WeakPolarHBondContact O-CB 3.33Å; I60-R64 WeakPolarHBondContact O-CG 3.49Å; I60-R64 PolarHBondContact O-N 3.39Å
61	E	93.5	Very high	92.7	Very high	129 Å²	129	102.6 Å²	102.6	60%	0.603	50%	0.497	S	S	*	.	H	α-helix	trans	-64.2	-41.4	177.8	-171	175.4	-161.9	0	0	111.3	A57 R64 S65	A57-E61 PolarHBondContact O-N 2.99Å; E61-R64 PolarHBondContact O-N 3.18Å; E61-S65 WeakPolarHBondContact O-CB 3.45Å; E61-S65 PolarHBondContact O-N 3.42Å
62	R	94.1	Very high	93.2	Very high	151 Å²	151	102.5 Å²	102.5	57%	0.57	49%	0.491	S	S	*	.	H	α-helix	trans	-63.7	-41.7	173.8	-175.5	56.1	174.9	170.6	0.6	111.8	L58 Y59 I60 S65 L66	L58-R62 VanDerWaalsContact O-CB 3.29Å; L58-R62 WeakPolarHBondContact O-CB 3.43Å; L58-R62 PolarHBondContact O-N 3.01Å; Y59-R62 PolarHBondContact O-N 2.9Å; I60-R62 VanDerWaalsContact C-N 3.35Å; R62-S65 PolarHBondContact O-N 3.48Å; R62-L66 HydrophobicContact CG-CD1 4.04Å; R62-L66 HydrophobicContact CG-CG 4.48Å; R62-L66 WeakPolarHBondContact O-CB 3.43Å; R62-L66 WeakPolarHBondContact O-CG 3.5Å; R62-L66 PolarHBondContact O-N 3.15Å
63	V	96.3	Very high	93.6	Very high	42 Å²	42	101.6 Å²	101.6	26%	0.255	49%	0.486	S	S	.	.	H	α-helix	trans	-62.9	-45.2	175.5	167.9	0	0	0	0	110.4	Y59 I60 S65 L66 E67	Y59-V63 HydrophobicContact CD1-CG2 4.05Å; Y59-V63 HydrophobicContact CE1-CG2 3.67Å; Y59-V63 HydrophobicContact CE2-CG2 4.23Å; Y59-V63 HydrophobicContact CG-CG2 4.47Å; Y59-V63 WeakPolarHBondContact O-CB 3.14Å; Y59-V63 VanDerWaalsContact O-CG2 3.23Å; Y59-V63 WeakPolarHBondContact O-CG2 3.35Å; Y59-V63 PolarHBondContact O-N 3.05Å; I60-V63 PolarHBondContact O-N 2.84Å; V63-S65 PolarHBondContact O-N 2.95Å; V63-L66 CarbonylContact O-C 3.32Å; V63-L66 WeakPolarHBondContact O-CB 3.47Å; V63-L66 PolarHBondContact O-N 2.9Å; V63-L66 VanDerWaalsContact O-N 3.13Å; V63-E67 HydrophobicContact CG1-CG 4.2Å; V63-E67 WeakPolarHBondContact CG1-OE1 3.47Å; V63-E67 WeakPolarHBondContact O-CB 3.34Å; V63-E67 VanDerWaalsContact O-CG 3.26Å; V63-E67 WeakPolarHBondContact O-CG 3.46Å; V63-E67 PolarHBondContact O-N 3.05Å
64	R	94.5	Very high	93.9	Very high	167 Å²	167	104.2 Å²	104.2	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-61.9	-43.4	175.4	-75	178	177.8	-177.6	-0.2	112.8	I60 E61 L66 E67 T68	I60-R64 HydrophobicContact CG2-CG 4.46Å; I60-R64 WeakPolarHBondContact O-CB 3.33Å; I60-R64 WeakPolarHBondContact O-CG 3.49Å; I60-R64 PolarHBondContact O-N 3.39Å; E61-R64 PolarHBondContact O-N 3.18Å; R64-L66 VanDerWaalsContact C-N 3.29Å; R64-L66 PolarHBondContact O-N 2.92Å; R64-E67 PolarHBondContact O-N 3.17Å; R64-T68 WeakPolarHBondContact O-CB 3.21Å; R64-T68 WeakPolarHBondContact O-CG2 3.42Å; R64-T68 PolarHBondContact O-N 2.85Å; R64-T68 PolarHBondContact O-OG1 3.47Å
65	S	95.2	Very high	94.3	Very high	55 Å²	55	106.6 Å²	106.6	39%	0.385	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-38.2	173.8	170.9	0	0	0	0	111.5	E61 R62 V63 T68 E69	E61-S65 WeakPolarHBondContact O-CB 3.45Å; E61-S65 PolarHBondContact O-N 3.42Å; R62-S65 PolarHBondContact O-N 3.48Å; V63-S65 PolarHBondContact O-N 2.95Å; S65-T68 WeakPolarHBondContact CA-OG1 3.24Å; S65-T68 PolarHBondContact O-OG1 3.28Å; S65-E69 WeakPolarHBondContact O-CB 3.28Å; S65-E69 PolarHBondContact O-N 2.93Å
66	L	95.6	Very high	94.5	Very high	75 Å²	75	101.2 Å²	101.2	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-72.2	-34.4	174.6	-73	169.7	0	0	0	112.3	R62 V63 R64 N70	R62-L66 HydrophobicContact CG-CD1 4.04Å; R62-L66 HydrophobicContact CG-CG 4.48Å; R62-L66 WeakPolarHBondContact O-CB 3.43Å; R62-L66 WeakPolarHBondContact O-CG 3.5Å; R62-L66 PolarHBondContact O-N 3.15Å; V63-L66 CarbonylContact O-C 3.32Å; V63-L66 WeakPolarHBondContact O-CB 3.47Å; V63-L66 PolarHBondContact O-N 2.9Å; V63-L66 VanDerWaalsContact O-N 3.13Å; R64-L66 VanDerWaalsContact C-N 3.29Å; R64-L66 PolarHBondContact O-N 2.92Å; L66-N70 WeakPolarHBondContact O-CB 3.27Å; L66-N70 PolarHBondContact O-N 3.43Å; L66-N70 PolarHBondContact O-ND2 3.41Å
67	E	94.8	Very high	94.8	Very high	104 Å²	104	101.1 Å²	101.1	49%	0.486	49%	0.493	S	S	.	.	H	α-helix	trans	-66.4	-49.5	175.5	-77.4	169.3	166.9	0	0	110.7	V63 R64 E69 N70 E71	V63-E67 HydrophobicContact CG1-CG 4.2Å; V63-E67 WeakPolarHBondContact CG1-OE1 3.47Å; V63-E67 WeakPolarHBondContact O-CB 3.34Å; V63-E67 VanDerWaalsContact O-CG 3.26Å; V63-E67 WeakPolarHBondContact O-CG 3.46Å; V63-E67 PolarHBondContact O-N 3.05Å; R64-E67 PolarHBondContact O-N 3.17Å; E67-E69 PolarHBondContact O-N 3.42Å; E67-N70 CarbonylContact O-C 3.56Å; E67-N70 WeakPolarHBondContact O-CB 3.35Å; E67-N70 PolarHBondContact O-N 3.43Å; E67-E71 WeakPolarHBondContact O-CG 3.3Å; E67-E71 PolarHBondContact O-N 2.86Å
68	T	95.1	Very high	95.1	Very high	85 Å²	85	106.1 Å²	106.1	52%	0.521	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-42.6	175.3	48.5	0	0	0	0	112.1	R64 S65 E71 R72	R64-T68 WeakPolarHBondContact O-CB 3.21Å; R64-T68 WeakPolarHBondContact O-CG2 3.42Å; R64-T68 PolarHBondContact O-N 2.85Å; R64-T68 PolarHBondContact O-OG1 3.47Å; S65-T68 WeakPolarHBondContact CA-OG1 3.24Å; S65-T68 PolarHBondContact O-OG1 3.28Å; T68-E71 PolarHBondContact O-N 3.25Å; T68-R72 WeakPolarHBondContact O-CB 3.46Å; T68-R72 PolarHBondContact O-N 3.41Å
69	E	95.9	Very high	95.2	Very high	74 Å²	74	104 Å²	104	35%	0.346	50%	0.497	S	S	.	.	H	α-helix	trans	-66.8	-37.7	174.1	-178.2	61.3	-170.7	0	0	111.7	S65 E67 R72 L73	S65-E69 WeakPolarHBondContact O-CB 3.28Å; S65-E69 PolarHBondContact O-N 2.93Å; E67-E69 PolarHBondContact O-N 3.42Å; E69-R72 PolarHBondContact O-N 2.93Å; E69-R72 IonicContact OE1-CZ 3.91Å; E69-R72 IonicContact OE1-NE 3.58Å; E69-R72 IonicContact OE1-NH2 2.88Å; E69-R72 PolarHBondContact OE1-NH2 2.9Å; E69-R72 IonicContact OE2-CZ 3.03Å; E69-R72 IonicContact OE2-NE 3.39Å; E69-R72 PolarHBondContact OE2-NE 3.14Å; E69-R72 IonicContact OE2-NH2 3.86Å; E69-R72 PolarHBondContact OE2-NH2 3.07Å; E69-L73 HydrophobicContact CG-CD1 4.03Å; E69-L73 HydrophobicContact CG-CG 4.36Å; E69-L73 VanDerWaalsContact O-CB 3.26Å; E69-L73 WeakPolarHBondContact O-CB 3.38Å; E69-L73 WeakPolarHBondContact O-CG 3.23Å; E69-L73 PolarHBondContact O-N 2.96Å
70	N	94.9	Very high	95.3	Very high	81 Å²	81	101.2 Å²	101.2	43%	0.433	49%	0.493	S	S	.	.	H	α-helix	trans	-65.9	-38.8	174.2	-82.7	-39.5	0	0	0	111.9	L66 E67 L73 K74	L66-N70 WeakPolarHBondContact O-CB 3.27Å; L66-N70 PolarHBondContact O-N 3.43Å; L66-N70 PolarHBondContact O-ND2 3.41Å; E67-N70 CarbonylContact O-C 3.56Å; E67-N70 WeakPolarHBondContact O-CB 3.35Å; E67-N70 PolarHBondContact O-N 3.43Å; N70-L73 PolarHBondContact O-N 3.43Å; N70-K74 WeakPolarHBondContact O-CB 3.4Å; N70-K74 WeakPolarHBondContact O-CD 3.4Å; N70-K74 WeakPolarHBondContact O-CG 3.48Å; N70-K74 PolarHBondContact O-N 3.13Å
71	E	96.6	Very high	95.5	Very high	121 Å²	121	102.7 Å²	102.7	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-62.9	-48.7	173.1	-77.1	176.8	174.2	0	0	110.6	E67 T68 L73 K74 E75	E67-E71 WeakPolarHBondContact O-CG 3.3Å; E67-E71 PolarHBondContact O-N 2.86Å; T68-E71 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 PolarHBondContact O-N 3.41Å; E71-K74 WeakPolarHBondContact O-CB 3.4Å; E71-K74 PolarHBondContact O-N 3.11Å; E71-E75 PolarHBondContact O-N 2.92Å
72	R	95.8	Very high	95.6	Very high	127 Å²	127	100 Å²	100	48%	0.479	49%	0.485	S	S	.	.	H	α-helix	trans	-59.2	-42.4	175	-166.7	-167.8	72.2	73.2	-0.4	112.3	T68 E69 E75 S76	T68-R72 WeakPolarHBondContact O-CB 3.46Å; T68-R72 PolarHBondContact O-N 3.41Å; E69-R72 PolarHBondContact O-N 2.93Å; E69-R72 IonicContact OE1-CZ 3.91Å; E69-R72 IonicContact OE1-NE 3.58Å; E69-R72 IonicContact OE1-NH2 2.88Å; E69-R72 PolarHBondContact OE1-NH2 2.9Å; E69-R72 IonicContact OE2-CZ 3.03Å; E69-R72 IonicContact OE2-NE 3.39Å; E69-R72 PolarHBondContact OE2-NE 3.14Å; E69-R72 IonicContact OE2-NH2 3.86Å; E69-R72 PolarHBondContact OE2-NH2 3.07Å; R72-E75 PolarHBondContact O-N 2.92Å; R72-S76 WeakPolarHBondContact O-CB 3.25Å; R72-S76 PolarHBondContact O-N 3.42Å
73	L	95.9	Very high	95.7	Very high	75 Å²	75	95.5 Å²	95.5	39%	0.393	48%	0.476	S	S	.	.	H	α-helix	trans	-67.1	-40.2	176.7	-75.5	171.8	0	0	0	111.4	E69 N70 E71 S76 V77	E69-L73 HydrophobicContact CG-CD1 4.03Å; E69-L73 HydrophobicContact CG-CG 4.36Å; E69-L73 VanDerWaalsContact O-CB 3.26Å; E69-L73 WeakPolarHBondContact O-CB 3.38Å; E69-L73 WeakPolarHBondContact O-CG 3.23Å; E69-L73 PolarHBondContact O-N 2.96Å; N70-L73 PolarHBondContact O-N 3.43Å; E71-L73 VanDerWaalsContact C-N 3.33Å; E71-L73 PolarHBondContact O-N 3.41Å; L73-S76 PolarHBondContact O-N 3.3Å; L73-V77 WeakPolarHBondContact O-CB 3.47Å; L73-V77 VanDerWaalsContact O-CG2 3.24Å; L73-V77 WeakPolarHBondContact O-CG2 3.31Å; L73-V77 PolarHBondContact O-N 3.11Å
74	K	96.6	Very high	95.7	Very high	145 Å²	145	97 Å²	97	63%	0.63	49%	0.486	S	S	*	.	H	α-helix	trans	-61.8	-45.2	174.3	-77	167.9	-175.8	176.5	0	111.4	N70 E71 V77 Y78	N70-K74 WeakPolarHBondContact O-CB 3.4Å; N70-K74 WeakPolarHBondContact O-CD 3.4Å; N70-K74 WeakPolarHBondContact O-CG 3.48Å; N70-K74 PolarHBondContact O-N 3.13Å; E71-K74 WeakPolarHBondContact O-CB 3.4Å; E71-K74 PolarHBondContact O-N 3.11Å; K74-V77 PolarHBondContact O-N 3.45Å; K74-Y78 WeakPolarHBondContact O-CB 3.44Å; K74-Y78 PolarHBondContact O-N 3.47Å
75	E	95.9	Very high	95.8	Very high	144 Å²	144	92.2 Å²	92.2	67%	0.673	48%	0.475	S	S	*	.	H	α-helix	trans	-62.4	-43.2	174.9	-73.8	-177.2	176.7	0	0	111.8	E71 R72 V77 Y78 S79	E71-E75 PolarHBondContact O-N 2.92Å; R72-E75 PolarHBondContact O-N 2.92Å; E75-V77 PolarHBondContact O-N 3.34Å; E75-Y78 PolarHBondContact O-N 2.96Å; E75-S79 VanDerWaalsContact O-CB 3.31Å; E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 2.9Å
76	S	94.6	Very high	95.8	Very high	64 Å²	64	97.2 Å²	97.2	45%	0.448	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-39.1	177	-173.9	0	0	0	0	112.4	R72 L73 N80	R72-S76 WeakPolarHBondContact O-CB 3.25Å; R72-S76 PolarHBondContact O-N 3.42Å; L73-S76 PolarHBondContact O-N 3.3Å; S76-N80 VanDerWaalsContact O-CB 3.22Å; S76-N80 WeakPolarHBondContact O-CB 3.39Å; S76-N80 PolarHBondContact O-N 3.46Å
77	V	95.7	Very high	95.8	Very high	76 Å²	76	97.1 Å²	97.1	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-48.5	175	167.5	0	0	0	0	109.6	L73 K74 E75 S79 N80 E81	L73-V77 WeakPolarHBondContact O-CB 3.47Å; L73-V77 VanDerWaalsContact O-CG2 3.24Å; L73-V77 WeakPolarHBondContact O-CG2 3.31Å; L73-V77 PolarHBondContact O-N 3.11Å; K74-V77 PolarHBondContact O-N 3.45Å; E75-V77 PolarHBondContact O-N 3.34Å; V77-S79 PolarHBondContact O-N 3.43Å; V77-N80 PolarHBondContact O-N 2.96Å; V77-E81 HydrophobicContact CG1-CG 4.23Å; V77-E81 WeakPolarHBondContact O-CB 3.38Å; V77-E81 VanDerWaalsContact O-CG 3.31Å; V77-E81 WeakPolarHBondContact O-CG 3.45Å; V77-E81 PolarHBondContact O-N 3.46Å
78	Y	96.6	Very high	95.9	Very high	158 Å²	158	99.3 Å²	99.3	62%	0.62	49%	0.492	S	S	*	.	H	α-helix	trans	-58.7	-47.3	177.8	-176.7	-95.8	0	0	0	112.1	K74 E75 N80 E81 E82	K74-Y78 WeakPolarHBondContact O-CB 3.44Å; K74-Y78 PolarHBondContact O-N 3.47Å; E75-Y78 PolarHBondContact O-N 2.96Å; Y78-N80 PolarHBondContact O-N 2.88Å; Y78-E81 PolarHBondContact O-N 3.19Å; Y78-E82 WeakPolarHBondContact O-CB 3.49Å; Y78-E82 PolarHBondContact O-N 3.03Å
79	S	95.5	Very high	96	Very high	74 Å²	74	98.2 Å²	98.2	52%	0.517	48%	0.483	S	S	.	.	H	α-helix	trans	-62.5	-42.1	177.1	-175.8	0	0	0	0	112.1	E75 V77 E82 S83	E75-S79 VanDerWaalsContact O-CB 3.31Å; E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 2.9Å; V77-S79 PolarHBondContact O-N 3.43Å; S79-E82 PolarHBondContact O-N 2.89Å; S79-S83 WeakPolarHBondContact O-CB 3.4Å; S79-S83 PolarHBondContact O-N 2.87Å
80	N	95.7	Very high	96	Very high	96 Å²	96	98.1 Å²	98.1	51%	0.513	49%	0.49	S	S	.	.	H	α-helix	trans	-66.9	-45.1	177.2	-174.5	57.9	0	0	0	111.5	S76 V77 Y78 E82 S83 V84	S76-N80 VanDerWaalsContact O-CB 3.22Å; S76-N80 WeakPolarHBondContact O-CB 3.39Å; S76-N80 PolarHBondContact O-N 3.46Å; V77-N80 PolarHBondContact O-N 2.96Å; Y78-N80 PolarHBondContact O-N 2.88Å; N80-E82 VanDerWaalsContact C-N 3.32Å; N80-E82 PolarHBondContact O-N 3.08Å; N80-S83 PolarHBondContact O-N 2.87Å; N80-S83 PolarHBondContact O-OG 3.25Å; N80-V84 WeakPolarHBondContact O-CB 3.33Å; N80-V84 VanDerWaalsContact O-CG2 3.3Å; N80-V84 WeakPolarHBondContact O-CG2 3.42Å; N80-V84 PolarHBondContact O-N 3.44Å
81	E	96.8	Very high	96.1	Very high	113 Å²	113	100.2 Å²	100.2	53%	0.528	50%	0.496	S	S	.	.	H	α-helix	trans	-58.8	-42.2	174.8	-76.3	179.4	173.9	0	0	111.8	V77 Y78 V84 T85	V77-E81 HydrophobicContact CG1-CG 4.23Å; V77-E81 WeakPolarHBondContact O-CB 3.38Å; V77-E81 VanDerWaalsContact O-CG 3.31Å; V77-E81 WeakPolarHBondContact O-CG 3.45Å; V77-E81 PolarHBondContact O-N 3.46Å; Y78-E81 PolarHBondContact O-N 3.19Å; E81-V84 PolarHBondContact O-N 3.05Å; E81-T85 WeakPolarHBondContact O-CB 3.47Å; E81-T85 PolarHBondContact O-N 2.89Å; E81-T85 PolarHBondContact O-OG1 2.89Å
82	E	95.8	Very high	96.1	Very high	74 Å²	74	101.4 Å²	101.4	35%	0.346	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-43.7	175.4	-169.7	178.1	-166.7	0	0	111.3	Y78 S79 N80 T85 R86	Y78-E82 WeakPolarHBondContact O-CB 3.49Å; Y78-E82 PolarHBondContact O-N 3.03Å; S79-E82 PolarHBondContact O-N 2.89Å; N80-E82 VanDerWaalsContact C-N 3.32Å; N80-E82 PolarHBondContact O-N 3.08Å; E82-T85 PolarHBondContact O-N 3.43Å; E82-R86 VanDerWaalsContact CD-NH2 3.35Å; E82-R86 WeakPolarHBondContact O-CB 3.31Å; E82-R86 VanDerWaalsContact O-CG 3.25Å; E82-R86 WeakPolarHBondContact O-CG 3.45Å; E82-R86 PolarHBondContact O-N 3.25Å; E82-R86 IonicContact OE1-CZ 3.72Å; E82-R86 IonicContact OE1-NE 3.13Å; E82-R86 PolarHBondContact OE1-NE 3.04Å; E82-R86 IonicContact OE1-NH2 3.53Å; E82-R86 PolarHBondContact OE1-NH2 3.05Å; E82-R86 IonicContact OE2-NH2 2.68Å
83	S	95.5	Very high	96.2	Very high	55 Å²	55	101.8 Å²	101.8	39%	0.385	50%	0.502	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.4	81.8	0	0	0	0	112.7	S79 N80 R86 T87	S79-S83 WeakPolarHBondContact O-CB 3.4Å; S79-S83 PolarHBondContact O-N 2.87Å; N80-S83 PolarHBondContact O-N 2.87Å; N80-S83 PolarHBondContact O-OG 3.25Å; S83-R86 PolarHBondContact O-N 2.7Å; S83-T87 WeakPolarHBondContact O-CB 3.26Å; S83-T87 VanDerWaalsContact O-CG2 3.31Å; S83-T87 WeakPolarHBondContact O-CG2 3.36Å; S83-T87 PolarHBondContact O-N 2.92Å; S83-T87 PolarHBondContact O-OG1 3.23Å
84	V	96.7	Very high	96.2	Very high	74 Å²	74	100.6 Å²	100.6	45%	0.448	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-40.2	175.7	170.9	0	0	0	0	110	N80 E81 T87 R88	N80-V84 WeakPolarHBondContact O-CB 3.33Å; N80-V84 VanDerWaalsContact O-CG2 3.3Å; N80-V84 WeakPolarHBondContact O-CG2 3.42Å; N80-V84 PolarHBondContact O-N 3.44Å; E81-V84 PolarHBondContact O-N 3.05Å; V84-T87 WeakPolarHBondContact CA-OG1 3.1Å; V84-T87 PolarHBondContact O-OG1 2.84Å; V84-R88 WeakPolarHBondContact O-CB 3.5Å; V84-R88 PolarHBondContact O-N 3.39Å
85	T	96.2	Very high	96.3	Very high	66 Å²	66	101.1 Å²	101.1	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-65.7	-45.1	177.4	-59.7	0	0	0	0	111.2	E81 E82 R88 N89	E81-T85 WeakPolarHBondContact O-CB 3.47Å; E81-T85 PolarHBondContact O-N 2.89Å; E81-T85 PolarHBondContact O-OG1 2.89Å; E82-T85 PolarHBondContact O-N 3.43Å; T85-R88 PolarHBondContact O-N 2.91Å; T85-N89 WeakPolarHBondContact O-CB 3.43Å; T85-N89 PolarHBondContact O-N 3.25Å; T85-N89 PolarHBondContact O-ND2 2.91Å; T85-N89 PolarHBondContact O-OD1 2.88Å
86	R	96	Very high	96.4	Very high	161 Å²	161	98.2 Å²	98.2	61%	0.608	49%	0.492	S	S	*	.	H	α-helix	trans	-62.3	-47.5	176.3	-72.6	174.8	-176.2	-168	3.5	111.9	E82 S83 N89 S90	E82-R86 VanDerWaalsContact CD-NH2 3.35Å; E82-R86 WeakPolarHBondContact O-CB 3.31Å; E82-R86 VanDerWaalsContact O-CG 3.25Å; E82-R86 WeakPolarHBondContact O-CG 3.45Å; E82-R86 PolarHBondContact O-N 3.25Å; E82-R86 IonicContact OE1-CZ 3.72Å; E82-R86 IonicContact OE1-NE 3.13Å; E82-R86 PolarHBondContact OE1-NE 3.04Å; E82-R86 IonicContact OE1-NH2 3.53Å; E82-R86 PolarHBondContact OE1-NH2 3.05Å; E82-R86 IonicContact OE2-NH2 2.68Å; S83-R86 PolarHBondContact O-N 2.7Å; R86-N89 PolarHBondContact O-N 2.89Å; R86-S90 WeakPolarHBondContact O-CB 3.42Å; R86-S90 PolarHBondContact O-N 3.44Å
87	T	95.4	Very high	96.5	Very high	72 Å²	72	101.7 Å²	101.7	44%	0.442	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-43.4	178	51.8	0	0	0	0	111.6	S83 V84 N89 S90 F91	S83-T87 WeakPolarHBondContact O-CB 3.26Å; S83-T87 VanDerWaalsContact O-CG2 3.31Å; S83-T87 WeakPolarHBondContact O-CG2 3.36Å; S83-T87 PolarHBondContact O-N 2.92Å; S83-T87 PolarHBondContact O-OG1 3.23Å; V84-T87 WeakPolarHBondContact CA-OG1 3.1Å; V84-T87 PolarHBondContact O-OG1 2.84Å; T87-N89 PolarHBondContact O-N 3.27Å; T87-S90 PolarHBondContact O-N 3.42Å; T87-F91 WeakPolarHBondContact O-CD2 3.49Å; T87-F91 PolarHBondContact O-N 3.35Å
88	R	96.7	Very high	96.6	Very high	151 Å²	151	103.8 Å²	103.8	57%	0.57	50%	0.504	S	S	*	.	H	α-helix	trans	-59.2	-44.8	174.9	-172.7	-176.9	83	119.5	-2.1	111.9	V84 T85 F91 R92	V84-R88 WeakPolarHBondContact O-CB 3.5Å; V84-R88 PolarHBondContact O-N 3.39Å; T85-R88 PolarHBondContact O-N 2.91Å; R88-F91 PolarHBondContact O-N 3.21Å; R88-R92 VanDerWaalsContact O-CB 3.27Å; R88-R92 WeakPolarHBondContact O-CB 3.28Å; R88-R92 PolarHBondContact O-N 3.3Å
89	N	96.6	Very high	96.6	Very high	61 Å²	61	100.5 Å²	100.5	33%	0.326	50%	0.496	S	S	.	.	H	α-helix	trans	-65.1	-43	177.5	-69.5	-12.1	0	0	0	110.9	T85 R86 T87 F91 R92 E93	T85-N89 WeakPolarHBondContact O-CB 3.43Å; T85-N89 PolarHBondContact O-N 3.25Å; T85-N89 PolarHBondContact O-ND2 2.91Å; T85-N89 PolarHBondContact O-OD1 2.88Å; R86-N89 PolarHBondContact O-N 2.89Å; T87-N89 PolarHBondContact O-N 3.27Å; N89-F91 PolarHBondContact O-N 2.86Å; N89-R92 PolarHBondContact O-N 2.93Å; N89-E93 WeakPolarHBondContact O-CB 3.48Å; N89-E93 WeakPolarHBondContact O-CG 3.49Å; N89-E93 PolarHBondContact O-N 2.87Å
90	S	96.4	Very high	96.7	Very high	73 Å²	73	99.3 Å²	99.3	51%	0.51	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-43.9	175.1	177.5	0	0	0	0	112.7	R86 T87 A94	R86-S90 WeakPolarHBondContact O-CB 3.42Å; R86-S90 PolarHBondContact O-N 3.44Å; T87-S90 PolarHBondContact O-N 3.42Å; S90-A94 WeakPolarHBondContact O-CB 3.4Å; S90-A94 PolarHBondContact O-N 2.9Å
91	F	96.7	Very high	96.8	Very high	124 Å²	124	97.8 Å²	97.8	54%	0.544	48%	0.48	S	S	.	.	H	α-helix	trans	-65.8	-42.2	174.6	-73.7	-59	0	0	0	111.8	T87 R88 N89 A94 Y95	T87-F91 WeakPolarHBondContact O-CD2 3.49Å; T87-F91 PolarHBondContact O-N 3.35Å; R88-F91 PolarHBondContact O-N 3.21Å; N89-F91 PolarHBondContact O-N 2.86Å; F91-A94 PolarHBondContact O-N 3.36Å; F91-Y95 HydrophobicContact CB-CD2 4.36Å; F91-Y95 HydrophobicContact CB-CE2 4.23Å; F91-Y95 WeakPolarHBondContact O-CD2 3.4Å; F91-Y95 PolarHBondContact O-N 2.84Å
92	R	97.6	Very high	96.8	Very high	147 Å²	147	95.5 Å²	95.5	56%	0.555	48%	0.477	S	S	*	.	H	α-helix	trans	-59.2	-47.8	176.8	-178.6	179	-179.8	169.3	3.6	111.2	R88 N89 A94 Y95 D96	R88-R92 VanDerWaalsContact O-CB 3.27Å; R88-R92 WeakPolarHBondContact O-CB 3.28Å; R88-R92 PolarHBondContact O-N 3.3Å; N89-R92 PolarHBondContact O-N 2.93Å; R92-A94 VanDerWaalsContact C-N 3.34Å; R92-A94 PolarHBondContact O-N 3.45Å; R92-Y95 PolarHBondContact O-N 3.38Å; R92-D96 WeakPolarHBondContact CG-OD2 3.36Å; R92-D96 IonicContact NE-OD2 2.99Å; R92-D96 VanDerWaalsContact O-CB 3.3Å; R92-D96 WeakPolarHBondContact O-CB 3.28Å; R92-D96 VanDerWaalsContact O-CG 3.31Å; R92-D96 PolarHBondContact O-N 2.81Å
93	E	97.6	Very high	96.9	Very high	134 Å²	134	100.1 Å²	100.1	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-60.2	-42.3	176.7	-73.9	169.4	-165	0	0	112	N89 K97	N89-E93 WeakPolarHBondContact O-CB 3.48Å; N89-E93 WeakPolarHBondContact O-CG 3.49Å; N89-E93 PolarHBondContact O-N 2.87Å; E93-K97 VanDerWaalsContact O-CB 3.3Å; E93-K97 WeakPolarHBondContact O-CB 3.2Å; E93-K97 PolarHBondContact O-N 3.28Å
94	A	96.7	Very high	97	Very high	51 Å²	51	103.2 Å²	103.2	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-47.2	176.2	0	0	0	0	0	111.8	S90 F91 R92 K97 E98	S90-A94 WeakPolarHBondContact O-CB 3.4Å; S90-A94 PolarHBondContact O-N 2.9Å; F91-A94 PolarHBondContact O-N 3.36Å; R92-A94 VanDerWaalsContact C-N 3.34Å; R92-A94 PolarHBondContact O-N 3.45Å; A94-K97 PolarHBondContact O-N 3.47Å; A94-E98 WeakPolarHBondContact O-CG 3.45Å; A94-E98 PolarHBondContact O-N 2.75Å
95	Y	97.1	Very high	97	Very high	155 Å²	155	102.1 Å²	102.1	61%	0.608	50%	0.496	S	S	*	.	H	α-helix	trans	-66.3	-40.9	177.5	-73.5	-58.2	0	0	0	112.5	F91 R92 K97 E98 L99	F91-Y95 HydrophobicContact CB-CD2 4.36Å; F91-Y95 HydrophobicContact CB-CE2 4.23Å; F91-Y95 WeakPolarHBondContact O-CD2 3.4Å; F91-Y95 PolarHBondContact O-N 2.84Å; R92-Y95 PolarHBondContact O-N 3.38Å; Y95-K97 VanDerWaalsContact C-N 3.28Å; Y95-K97 PolarHBondContact O-N 3.22Å; Y95-E98 PolarHBondContact O-N 2.93Å; Y95-L99 WeakPolarHBondContact O-CB 3.44Å; Y95-L99 VanDerWaalsContact O-CG 3.24Å; Y95-L99 WeakPolarHBondContact O-CG 3.42Å; Y95-L99 PolarHBondContact O-N 3.37Å
96	D	97.8	Very high	97.1	Very high	84 Å²	84	102.8 Å²	102.8	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-64	-36.4	177	-77.2	-23.5	0	0	0	111	R92 S100	R92-D96 WeakPolarHBondContact CG-OD2 3.36Å; R92-D96 IonicContact NE-OD2 2.99Å; R92-D96 VanDerWaalsContact O-CB 3.3Å; R92-D96 WeakPolarHBondContact O-CB 3.28Å; R92-D96 VanDerWaalsContact O-CG 3.31Å; R92-D96 PolarHBondContact O-N 2.81Å; D96-S100 VanDerWaalsContact O-CB 3.27Å; D96-S100 WeakPolarHBondContact O-CB 3.19Å; D96-S100 PolarHBondContact O-N 3.27Å
97	K	97.5	Very high	97.1	Very high	136 Å²	136	99 Å²	99	59%	0.591	49%	0.491	S	S	*	.	H	α-helix	trans	-65.3	-51.1	172.8	-174.6	-178.9	177.2	-173.2	0	111.9	E93 A94 Y95 L99 S100 D101	E93-K97 VanDerWaalsContact O-CB 3.3Å; E93-K97 WeakPolarHBondContact O-CB 3.2Å; E93-K97 PolarHBondContact O-N 3.28Å; A94-K97 PolarHBondContact O-N 3.47Å; Y95-K97 VanDerWaalsContact C-N 3.28Å; Y95-K97 PolarHBondContact O-N 3.22Å; K97-L99 VanDerWaalsContact C-N 3.29Å; K97-L99 PolarHBondContact O-N 2.97Å; K97-S100 WeakPolarHBondContact O-CB 3.46Å; K97-S100 PolarHBondContact O-N 3.04Å; K97-S100 VanDerWaalsContact O-N 3.11Å; K97-D101 PolarHBondContact O-N 2.7Å
98	E	97.1	Very high	97.3	Very high	121 Å²	121	100.7 Å²	100.7	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-60.7	-38.1	178.1	-70.2	-64	150.9	0	0	112	A94 Y95 S102	A94-E98 WeakPolarHBondContact O-CG 3.45Å; A94-E98 PolarHBondContact O-N 2.75Å; Y95-E98 PolarHBondContact O-N 2.93Å; E98-S102 VanDerWaalsContact O-CB 3.25Å; E98-S102 WeakPolarHBondContact O-CB 3.3Å; E98-S102 PolarHBondContact O-N 2.86Å; E98-S102 PolarHBondContact O-OG 3.05Å
99	L	97.1	Very high	97.3	Very high	88 Å²	88	98.8 Å²	98.8	46%	0.461	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-42	173.6	-75.2	171.3	0	0	0	111.8	Y95 K97 R103	Y95-L99 WeakPolarHBondContact O-CB 3.44Å; Y95-L99 VanDerWaalsContact O-CG 3.24Å; Y95-L99 WeakPolarHBondContact O-CG 3.42Å; Y95-L99 PolarHBondContact O-N 3.37Å; K97-L99 VanDerWaalsContact C-N 3.29Å; K97-L99 PolarHBondContact O-N 2.97Å; L99-R103 WeakPolarHBondContact O-CB 3.31Å; L99-R103 VanDerWaalsContact O-CG 3.24Å; L99-R103 WeakPolarHBondContact O-CG 3.17Å; L99-R103 PolarHBondContact O-N 2.93Å
100	S	97.8	Very high	97.3	Very high	49 Å²	49	99.7 Å²	99.7	34%	0.343	50%	0.5	S	S	.	.	H	α-helix	trans	-63	-45.3	176	-173.5	0	0	0	0	111.6	D96 K97 R103 K104	D96-S100 VanDerWaalsContact O-CB 3.27Å; D96-S100 WeakPolarHBondContact O-CB 3.19Å; D96-S100 PolarHBondContact O-N 3.27Å; K97-S100 WeakPolarHBondContact O-CB 3.46Å; K97-S100 PolarHBondContact O-N 3.04Å; K97-S100 VanDerWaalsContact O-N 3.11Å; S100-R103 PolarHBondContact O-N 3.38Å; S100-K104 WeakPolarHBondContact O-CG 3.26Å; S100-K104 PolarHBondContact O-N 3.46Å
101	D	97.8	Very high	97.4	Very high	64 Å²	64	103.3 Å²	103.3	34%	0.342	50%	0.502	S	S	.	.	H	α-helix	trans	-70.1	-37.9	-179.7	-68.4	-19.1	0	0	0	111.5	K97 R103 K104 A105	K97-D101 PolarHBondContact O-N 2.7Å; D101-R103 PolarHBondContact O-N 2.89Å; D101-K104 PolarHBondContact O-N 3.17Å; D101-K104 IonicContact OD1-NZ 3.1Å; D101-K104 PolarHBondContact OD1-NZ 3Å; D101-K104 VanDerWaalsContact OD1-NZ 3.15Å; D101-A105 WeakPolarHBondContact O-CB 3.1Å; D101-A105 PolarHBondContact O-N 3Å
102	S	96.6	Very high	97.4	Very high	66 Å²	66	102.4 Å²	102.4	46%	0.462	50%	0.5	S	S	.	.	H	α-helix	trans	-62	-42.3	171.7	-62.7	0	0	0	0	112.2	E98 A105 V106	E98-S102 VanDerWaalsContact O-CB 3.25Å; E98-S102 WeakPolarHBondContact O-CB 3.3Å; E98-S102 PolarHBondContact O-N 2.86Å; E98-S102 PolarHBondContact O-OG 3.05Å; S102-A105 PolarHBondContact O-N 2.91Å; S102-V106 WeakPolarHBondContact O-CG2 3.2Å; S102-V106 PolarHBondContact O-N 3.49Å
103	R	97.5	Very high	97.4	Very high	171 Å²	171	102.2 Å²	102.2	65%	0.645	50%	0.503	S	S	*	.	H	α-helix	trans	-62.9	-45.4	175.9	-76.1	170.8	-178.9	169.4	2.2	111.6	L99 S100 D101 A105 V106 D107	L99-R103 WeakPolarHBondContact O-CB 3.31Å; L99-R103 VanDerWaalsContact O-CG 3.24Å; L99-R103 WeakPolarHBondContact O-CG 3.17Å; L99-R103 PolarHBondContact O-N 2.93Å; S100-R103 PolarHBondContact O-N 3.38Å; D101-R103 PolarHBondContact O-N 2.89Å; R103-A105 VanDerWaalsContact C-N 3.31Å; R103-A105 PolarHBondContact O-N 2.95Å; R103-V106 PolarHBondContact O-N 3.46Å; R103-D107 PolarHBondContact O-N 3.37Å
104	K	97.8	Very high	97.4	Very high	119 Å²	119	99.3 Å²	99.3	52%	0.517	50%	0.497	S	S	.	.	H	α-helix	trans	-59.2	-42.4	175.1	-69.8	170.4	-166.2	160.3	0	111.9	S100 D101 D107 E108	S100-K104 WeakPolarHBondContact O-CG 3.26Å; S100-K104 PolarHBondContact O-N 3.46Å; D101-K104 PolarHBondContact O-N 3.17Å; D101-K104 IonicContact OD1-NZ 3.1Å; D101-K104 PolarHBondContact OD1-NZ 3Å; D101-K104 VanDerWaalsContact OD1-NZ 3.15Å; K104-D107 PolarHBondContact O-N 3.27Å; K104-E108 WeakPolarHBondContact O-CB 3.3Å; K104-E108 PolarHBondContact O-N 3.05Å
105	A	97.2	Very high	97.5	Very high	52 Å²	52	105.5 Å²	105.5	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-62.9	-41.6	177.3	0	0	0	0	0	112	D101 S102 R103 E108 L109	D101-A105 WeakPolarHBondContact O-CB 3.1Å; D101-A105 PolarHBondContact O-N 3Å; S102-A105 PolarHBondContact O-N 2.91Å; R103-A105 VanDerWaalsContact C-N 3.31Å; R103-A105 PolarHBondContact O-N 2.95Å; A105-E108 PolarHBondContact O-N 3.01Å; A105-L109 WeakPolarHBondContact O-CB 3.36Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.44Å; A105-L109 PolarHBondContact O-N 2.56Å
106	V	97.6	Very high	97.5	Very high	79 Å²	79	102.6 Å²	102.6	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-63	-44.2	174.9	169.7	0	0	0	0	111.5	S102 R103 E108 L109 N110	S102-V106 WeakPolarHBondContact O-CG2 3.2Å; S102-V106 PolarHBondContact O-N 3.49Å; R103-V106 PolarHBondContact O-N 3.46Å; V106-E108 VanDerWaalsContact C-N 3.33Å; V106-E108 PolarHBondContact O-N 2.92Å; V106-L109 PolarHBondContact O-N 3.49Å; V106-N110 WeakPolarHBondContact O-CB 3.25Å; V106-N110 PolarHBondContact O-N 3.36Å; V106-N110 PolarHBondContact O-ND2 2.9Å; V106-N110 VanDerWaalsContact O-ND2 3.17Å
107	D	97.5	Very high	97.5	Very high	81 Å²	81	106.5 Å²	106.5	43%	0.433	52%	0.517	S	S	.	.	H	α-helix	trans	-62.6	-41	177.8	-72.1	-21.8	0	0	0	111.8	R103 K104 N110 R111	R103-D107 PolarHBondContact O-N 3.37Å; K104-D107 PolarHBondContact O-N 3.27Å; D107-N110 PolarHBondContact O-N 2.89Å; D107-R111 WeakPolarHBondContact O-CG 3.34Å; D107-R111 PolarHBondContact O-N 2.78Å
108	E	97.7	Very high	97.4	Very high	109 Å²	109	105.9 Å²	105.9	51%	0.509	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-44.9	177.7	-162.5	60.9	-163	0	0	112	K104 A105 V106 N110 R111 E112	K104-E108 WeakPolarHBondContact O-CB 3.3Å; K104-E108 PolarHBondContact O-N 3.05Å; A105-E108 PolarHBondContact O-N 3.01Å; V106-E108 VanDerWaalsContact C-N 3.33Å; V106-E108 PolarHBondContact O-N 2.92Å; E108-N110 VanDerWaalsContact C-N 3.28Å; E108-N110 PolarHBondContact O-N 2.88Å; E108-R111 WeakPolarHBondContact O-CB 3.46Å; E108-R111 PolarHBondContact O-N 3.49Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-R111 IonicContact OE2-CZ 3.39Å; E108-R111 IonicContact OE2-NH1 3.04Å; E108-R111 PolarHBondContact OE2-NH1 2.9Å; E108-E112 PolarHBondContact O-N 2.85Å
109	L	96.9	Very high	97.5	Very high	110 Å²	110	104.6 Å²	104.6	58%	0.576	51%	0.514	S	S	*	.	H	α-helix	trans	-60.5	-37.1	174	-73.4	173	0	0	0	112.1	A105 V106 K113	A105-L109 WeakPolarHBondContact O-CB 3.36Å; A105-L109 VanDerWaalsContact O-CG 3.29Å; A105-L109 WeakPolarHBondContact O-CG 3.44Å; A105-L109 PolarHBondContact O-N 2.56Å; V106-L109 PolarHBondContact O-N 3.49Å; L109-K113 WeakPolarHBondContact O-CB 3.39Å; L109-K113 PolarHBondContact O-N 2.89Å
110	N	97.7	Very high	97.4	Very high	81 Å²	81	104.9 Å²	104.9	43%	0.433	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-37.1	176.4	-78.3	-36	0	0	0	112.5	V106 D107 E108 S114	V106-N110 WeakPolarHBondContact O-CB 3.25Å; V106-N110 PolarHBondContact O-N 3.36Å; V106-N110 PolarHBondContact O-ND2 2.9Å; V106-N110 VanDerWaalsContact O-ND2 3.17Å; D107-N110 PolarHBondContact O-N 2.89Å; E108-N110 VanDerWaalsContact C-N 3.28Å; E108-N110 PolarHBondContact O-N 2.88Å; N110-S114 WeakPolarHBondContact O-CB 3.39Å; N110-S114 PolarHBondContact O-N 2.8Å; N110-S114 PolarHBondContact O-OG 3.38Å
111	R	97.6	Very high	97.4	Very high	148 Å²	148	104.1 Å²	104.1	56%	0.558	52%	0.516	S	S	*	.	H	α-helix	trans	-65.2	-47.2	173	-70.7	176.4	-167.6	121.3	8.2	111.3	D107 E108 S114 R115	D107-R111 WeakPolarHBondContact O-CG 3.34Å; D107-R111 PolarHBondContact O-N 2.78Å; E108-R111 WeakPolarHBondContact O-CB 3.46Å; E108-R111 PolarHBondContact O-N 3.49Å; E108-R111 VanDerWaalsContact O-N 3.16Å; E108-R111 IonicContact OE2-CZ 3.39Å; E108-R111 IonicContact OE2-NH1 3.04Å; E108-R111 PolarHBondContact OE2-NH1 2.9Å; R111-S114 PolarHBondContact O-N 2.88Å; R111-R115 WeakPolarHBondContact O-CB 3.44Å; R111-R115 PolarHBondContact O-N 3.48Å
112	E	97.8	Very high	97.3	Very high	105 Å²	105	108.3 Å²	108.3	49%	0.491	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-46.3	178	-173.1	176.9	-170.2	0	0	111.3	E108 S114 R115 L116	E108-E112 PolarHBondContact O-N 2.85Å; E112-S114 VanDerWaalsContact C-N 3.29Å; E112-S114 PolarHBondContact O-N 3.44Å; E112-R115 WeakPolarHBondContact O-CB 3.28Å; E112-R115 PolarHBondContact O-N 3.29Å; E112-R115 VanDerWaalsContact O-N 3.16Å; E112-L116 HydrophobicContact CG-CD1 4.05Å; E112-L116 HydrophobicContact CG-CG 4.39Å; E112-L116 WeakPolarHBondContact O-CB 3.32Å; E112-L116 WeakPolarHBondContact O-CG 3.23Å; E112-L116 PolarHBondContact O-N 3.45Å
113	K	97.1	Very high	97.3	Very high	144 Å²	144	110 Å²	110	63%	0.626	53%	0.534	S	S	*	.	H	α-helix	trans	-56.5	-42.7	173.9	-179.9	177.2	179.9	-179.9	0	112.2	L109 K117	L109-K113 WeakPolarHBondContact O-CB 3.39Å; L109-K113 PolarHBondContact O-N 2.89Å; K113-K117 VanDerWaalsContact O-CB 3.29Å; K113-K117 WeakPolarHBondContact O-CB 3.28Å; K113-K117 PolarHBondContact O-N 2.69Å
114	S	97.8	Very high	97.3	Very high	72 Å²	72	106.4 Å²	106.4	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-67.3	-40.2	178.3	-59.4	0	0	0	0	111.8	N110 R111 E112 K117 L118	N110-S114 WeakPolarHBondContact O-CB 3.39Å; N110-S114 PolarHBondContact O-N 2.8Å; N110-S114 PolarHBondContact O-OG 3.38Å; R111-S114 PolarHBondContact O-N 2.88Å; E112-S114 VanDerWaalsContact C-N 3.29Å; E112-S114 PolarHBondContact O-N 3.44Å; S114-K117 PolarHBondContact O-N 2.96Å; S114-L118 PolarHBondContact O-N 3.38Å; S114-L118 VanDerWaalsContact O-N 3.1Å
115	R	97.9	Very high	97.2	Very high	182 Å²	182	104.4 Å²	104.4	69%	0.687	53%	0.525	S	S	*	.	H	α-helix	trans	-62.8	-51	174.9	179.6	-178.4	172.8	162.9	-0.5	111.6	R111 E112 K117 L118 E119	R111-R115 WeakPolarHBondContact O-CB 3.44Å; R111-R115 PolarHBondContact O-N 3.48Å; E112-R115 WeakPolarHBondContact O-CB 3.28Å; E112-R115 PolarHBondContact O-N 3.29Å; E112-R115 VanDerWaalsContact O-N 3.16Å; R115-K117 VanDerWaalsContact C-N 3.27Å; R115-K117 PolarHBondContact O-N 3.28Å; R115-L118 PolarHBondContact O-N 2.85Å; R115-L118 VanDerWaalsContact O-N 3.16Å; R115-E119 PolarHBondContact O-N 2.92Å
116	L	97.3	Very high	97.2	Very high	94 Å²	94	104.4 Å²	104.4	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-36.6	178.2	-72.1	173.5	0	0	0	111.8	E112 E119 N120	E112-L116 HydrophobicContact CG-CD1 4.05Å; E112-L116 HydrophobicContact CG-CG 4.39Å; E112-L116 WeakPolarHBondContact O-CB 3.32Å; E112-L116 WeakPolarHBondContact O-CG 3.23Å; E112-L116 PolarHBondContact O-N 3.45Å; L116-E119 PolarHBondContact O-N 3.43Å; L116-N120 VanDerWaalsContact O-CB 3.28Å; L116-N120 WeakPolarHBondContact O-CB 3.37Å; L116-N120 PolarHBondContact O-N 2.81Å
117	K	97.9	Very high	97.2	Very high	166 Å²	166	104 Å²	104	72%	0.722	52%	0.52	S	S	*	.	H	α-helix	trans	-63.6	-42.6	174.8	-172.8	177.2	179.6	-177.4	0	112.2	K113 S114 R115 G121	K113-K117 VanDerWaalsContact O-CB 3.29Å; K113-K117 WeakPolarHBondContact O-CB 3.28Å; K113-K117 PolarHBondContact O-N 2.69Å; S114-K117 PolarHBondContact O-N 2.96Å; R115-K117 VanDerWaalsContact C-N 3.27Å; R115-K117 PolarHBondContact O-N 3.28Å; K117-G121 PolarHBondContact O-N 2.91Å
118	L	96.7	Very high	97.2	Very high	123 Å²	123	104.5 Å²	104.5	64%	0.644	52%	0.522	S	S	*	.	H	α-helix	trans	-66.2	-42.3	175.8	-75.3	168.5	0	0	0	112	S114 R115 G121 K122	S114-L118 PolarHBondContact O-N 3.38Å; S114-L118 VanDerWaalsContact O-N 3.1Å; R115-L118 PolarHBondContact O-N 2.85Å; R115-L118 VanDerWaalsContact O-N 3.16Å; L118-G121 PolarHBondContact O-N 3.45Å; L118-K122 WeakPolarHBondContact O-CG 3.45Å; L118-K122 PolarHBondContact O-N 3.2Å
119	E	97.4	Very high	97.1	Very high	93 Å²	93	104.3 Å²	104.3	44%	0.435	52%	0.521	S	S	.	.	H	α-helix	trans	-63.5	-45.8	177	-175.8	171	-178.7	0	0	111.7	R115 L116 G121 K122 L123	R115-E119 PolarHBondContact O-N 2.92Å; L116-E119 PolarHBondContact O-N 3.43Å; E119-G121 VanDerWaalsContact C-N 3.28Å; E119-G121 PolarHBondContact O-N 3.07Å; E119-K122 PolarHBondContact O-N 3.32Å; E119-K122 VanDerWaalsContact O-N 3.13Å; E119-L123 HydrophobicContact CG-CD1 4.26Å; E119-L123 WeakPolarHBondContact O-CG 3.46Å; E119-L123 PolarHBondContact O-N 3.25Å
120	N	96	Very high	97.1	Very high	94 Å²	94	103.7 Å²	103.7	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-59.7	-40.8	174.3	-165.6	11.4	0	0	0	111.3	L116 K122 L123 L124	L116-N120 VanDerWaalsContact O-CB 3.28Å; L116-N120 WeakPolarHBondContact O-CB 3.37Å; L116-N120 PolarHBondContact O-N 2.81Å; N120-K122 PolarHBondContact O-N 2.66Å; N120-L123 PolarHBondContact O-N 2.73Å; N120-L124 WeakPolarHBondContact O-CB 3.22Å; N120-L124 VanDerWaalsContact O-CG 3.28Å; N120-L124 WeakPolarHBondContact O-CG 3.35Å; N120-L124 PolarHBondContact O-N 2.94Å
121	G	97.4	Very high	97	Very high	33 Å²	33	105.2 Å²	105.2	34%	0.34	52%	0.518	S	S	.	.	H	α-helix	trans	-57.7	-46.2	172.7	0	0	0	0	0	113.2	K117 L118 E119 L124 T125	K117-G121 PolarHBondContact O-N 2.91Å; L118-G121 PolarHBondContact O-N 3.45Å; E119-G121 VanDerWaalsContact C-N 3.28Å; E119-G121 PolarHBondContact O-N 3.07Å; G121-L124 PolarHBondContact O-N 3.11Å; G121-T125 PolarHBondContact O-N 3.47Å; G121-T125 PolarHBondContact O-OG1 2.93Å
122	K	96.5	Very high	96.9	Very high	152 Å²	152	101 Å²	101	66%	0.661	52%	0.516	S	S	*	.	H	α-helix	trans	-65	-39.4	176.7	-69.4	175.9	-178.1	-177.3	0	112.8	L118 E119 N120 T125 S126	L118-K122 WeakPolarHBondContact O-CG 3.45Å; L118-K122 PolarHBondContact O-N 3.2Å; E119-K122 PolarHBondContact O-N 3.32Å; E119-K122 VanDerWaalsContact O-N 3.13Å; N120-K122 PolarHBondContact O-N 2.66Å; K122-T125 WeakPolarHBondContact CA-OG1 3.32Å; K122-T125 PolarHBondContact O-OG1 3.1Å; K122-S126 WeakPolarHBondContact O-CB 3.47Å; K122-S126 PolarHBondContact O-N 3.4Å
123	L	96.1	Very high	96.9	Very high	102 Å²	102	103.4 Å²	103.4	53%	0.534	52%	0.52	S	S	.	.	H	α-helix	trans	-66.9	-41.1	177.1	-71.8	174.1	0	0	0	111.1	E119 N120 S126 V127	E119-L123 HydrophobicContact CG-CD1 4.26Å; E119-L123 WeakPolarHBondContact O-CG 3.46Å; E119-L123 PolarHBondContact O-N 3.25Å; N120-L123 PolarHBondContact O-N 2.73Å; L123-S126 PolarHBondContact O-N 2.82Å; L123-V127 VanDerWaalsContact O-CG2 3.3Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 3.24Å
124	L	97.2	Very high	96.8	Very high	95 Å²	95	101.3 Å²	101.3	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-61.5	-47.3	175.2	-73.8	170.5	0	0	0	111.9	N120 G121 S126 V127 D128	N120-L124 WeakPolarHBondContact O-CB 3.22Å; N120-L124 VanDerWaalsContact O-CG 3.28Å; N120-L124 WeakPolarHBondContact O-CG 3.35Å; N120-L124 PolarHBondContact O-N 2.94Å; G121-L124 PolarHBondContact O-N 3.11Å; L124-S126 VanDerWaalsContact C-N 3.29Å; L124-S126 PolarHBondContact O-N 2.92Å; L124-V127 PolarHBondContact O-N 2.82Å; L124-D128 PolarHBondContact O-N 3.34Å
125	T	96.8	Very high	96.8	Very high	78 Å²	78	102 Å²	102	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-61.6	-39.4	175.9	53.8	0	0	0	0	111.8	G121 K122 D128 E129	G121-T125 PolarHBondContact O-N 3.47Å; G121-T125 PolarHBondContact O-OG1 2.93Å; K122-T125 WeakPolarHBondContact CA-OG1 3.32Å; K122-T125 PolarHBondContact O-OG1 3.1Å; T125-D128 PolarHBondContact O-N 3.24Å; T125-E129 WeakPolarHBondContact O-CG 3.46Å; T125-E129 PolarHBondContact O-N 2.94Å
126	S	97.1	Very high	96.7	Very high	52 Å²	52	100 Å²	100	36%	0.364	51%	0.509	S	S	.	.	H	α-helix	trans	-64.4	-40.9	175.9	-170	0	0	0	0	112	K122 L123 L124 E129 Q130	K122-S126 WeakPolarHBondContact O-CB 3.47Å; K122-S126 PolarHBondContact O-N 3.4Å; L123-S126 PolarHBondContact O-N 2.82Å; L124-S126 VanDerWaalsContact C-N 3.29Å; L124-S126 PolarHBondContact O-N 2.92Å; S126-E129 PolarHBondContact O-N 3.36Å; S126-Q130 WeakPolarHBondContact O-CG 3.16Å; S126-Q130 PolarHBondContact O-N 2.84Å
127	V	96.6	Very high	96.6	Very high	71 Å²	71	98.2 Å²	98.2	43%	0.43	51%	0.509	S	S	.	.	H	α-helix	trans	-61.7	-44.1	174.8	166.3	0	0	0	0	111	L123 L124 Q130 K131	L123-V127 VanDerWaalsContact O-CG2 3.3Å; L123-V127 WeakPolarHBondContact O-CG2 3.44Å; L123-V127 PolarHBondContact O-N 3.24Å; L124-V127 PolarHBondContact O-N 2.82Å; V127-Q130 PolarHBondContact O-N 3.42Å; V127-K131 HydrophobicContact CG1-CD 4.19Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 2.92Å
128	D	97.2	Very high	96.5	Very high	90 Å²	90	95.2 Å²	95.2	48%	0.481	50%	0.497	S	S	.	.	H	α-helix	trans	-67.1	-37.9	179	-68.4	-23.3	0	0	0	111.9	L124 T125 K131 A132	L124-D128 PolarHBondContact O-N 3.34Å; T125-D128 PolarHBondContact O-N 3.24Å; D128-K131 PolarHBondContact O-N 2.84Å; D128-K131 IonicContact OD1-NZ 2.73Å; D128-A132 WeakPolarHBondContact O-CB 3.42Å; D128-A132 PolarHBondContact O-N 3.32Å
129	E	96.4	Very high	96.5	Very high	105 Å²	105	93.7 Å²	93.7	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-43	171.1	-74.8	174.4	-165.2	0	0	112.4	T125 S126 A132 R133	T125-E129 WeakPolarHBondContact O-CG 3.46Å; T125-E129 PolarHBondContact O-N 2.94Å; S126-E129 PolarHBondContact O-N 3.36Å; E129-A132 PolarHBondContact O-N 3.16Å; E129-R133 WeakPolarHBondContact O-CG 3.37Å; E129-R133 PolarHBondContact O-N 3.48Å
130	Q	95.6	Very high	96.4	Very high	97 Å²	97	92.6 Å²	92.6	45%	0.453	49%	0.487	S	S	.	.	H	α-helix	trans	-67.4	-39	177.4	-67.5	-53.4	-34.6	0	0	111.9	S126 V127 R133 L134	S126-Q130 WeakPolarHBondContact O-CG 3.16Å; S126-Q130 PolarHBondContact O-N 2.84Å; V127-Q130 PolarHBondContact O-N 3.42Å; Q130-R133 PolarHBondContact O-N 2.86Å; Q130-L134 WeakPolarHBondContact O-CB 3.34Å; Q130-L134 PolarHBondContact O-N 2.87Å
131	K	96.4	Very high	96.4	Very high	113 Å²	113	92.9 Å²	92.9	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-60.9	-47.7	173.1	-74.4	173.5	-177.8	168.7	0	111.3	V127 D128 R133 L134 D135	V127-K131 HydrophobicContact CG1-CD 4.19Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 2.92Å; D128-K131 PolarHBondContact O-N 2.84Å; D128-K131 IonicContact OD1-NZ 2.73Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.48Å; K131-L134 WeakPolarHBondContact O-CB 3.42Å; K131-L134 PolarHBondContact O-N 3.29Å; K131-L134 VanDerWaalsContact O-N 3.08Å; K131-D135 VanDerWaalsContact O-CG 3.31Å; K131-D135 PolarHBondContact O-N 2.73Å
132	A	96.4	Very high	96.3	Very high	61 Å²	61	94.3 Å²	94.3	50%	0.504	49%	0.49	S	S	.	.	H	α-helix	trans	-60.7	-37.2	177.3	0	0	0	0	0	112.6	D128 E129 K136	D128-A132 WeakPolarHBondContact O-CB 3.42Å; D128-A132 PolarHBondContact O-N 3.32Å; E129-A132 PolarHBondContact O-N 3.16Å; A132-K136 WeakPolarHBondContact O-CB 3.45Å; A132-K136 PolarHBondContact O-N 3.32Å
133	R	96.7	Very high	96.3	Very high	155 Å²	155	93 Å²	93	59%	0.585	48%	0.484	S	S	*	.	H	α-helix	trans	-66.2	-41.7	173.1	-73.6	176.7	-172.5	-175	5.4	112.2	E129 Q130 K131 K136 A137	E129-R133 WeakPolarHBondContact O-CG 3.37Å; E129-R133 PolarHBondContact O-N 3.48Å; Q130-R133 PolarHBondContact O-N 2.86Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.48Å; R133-K136 PolarHBondContact O-N 3.04Å; R133-A137 WeakPolarHBondContact O-CB 3.5Å; R133-A137 PolarHBondContact O-N 3.26Å
134	L	95.4	Very high	96.3	Very high	100 Å²	100	94.8 Å²	94.8	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-47	177.1	-175.8	67.3	0	0	0	111.1	Q130 K131 K136 A137 Q138	Q130-L134 WeakPolarHBondContact O-CB 3.34Å; Q130-L134 PolarHBondContact O-N 2.87Å; K131-L134 WeakPolarHBondContact O-CB 3.42Å; K131-L134 PolarHBondContact O-N 3.29Å; K131-L134 VanDerWaalsContact O-N 3.08Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 3.41Å; L134-A137 PolarHBondContact O-N 3.36Å; L134-A137 VanDerWaalsContact O-N 3.16Å; L134-Q138 WeakPolarHBondContact O-CG 3.37Å; L134-Q138 PolarHBondContact O-N 3.39Å
135	D	97	Very high	96.2	Very high	85 Å²	85	95 Å²	95	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-61.4	-41.3	178.2	-66.8	-19.4	0	0	0	111	K131 Q138 N139	K131-D135 VanDerWaalsContact O-CG 3.31Å; K131-D135 PolarHBondContact O-N 2.73Å; D135-Q138 PolarHBondContact O-N 2.95Å; D135-N139 WeakPolarHBondContact O-CB 3.38Å; D135-N139 VanDerWaalsContact O-CG 3.25Å; D135-N139 PolarHBondContact O-N 3.49Å; D135-N139 PolarHBondContact O-ND2 3Å
136	K	96.3	Very high	96.2	Very high	140 Å²	140	96.7 Å²	96.7	61%	0.609	49%	0.492	S	S	*	.	H	α-helix	trans	-62.7	-45.9	173.8	-172.6	179.3	178.5	-177.1	0	111.6	A132 R133 L134 Q138 N139 D140	A132-K136 WeakPolarHBondContact O-CB 3.45Å; A132-K136 PolarHBondContact O-N 3.32Å; R133-K136 PolarHBondContact O-N 3.04Å; L134-K136 VanDerWaalsContact C-N 3.31Å; L134-K136 PolarHBondContact O-N 3.41Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 2.87Å; K136-N139 PolarHBondContact O-N 3.18Å; K136-D140 WeakPolarHBondContact O-CB 3.47Å; K136-D140 PolarHBondContact O-N 2.84Å
137	A	95.8	Very high	96.1	Very high	58 Å²	58	97.6 Å²	97.6	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-63.7	-38.5	178.3	0	0	0	0	0	112.4	R133 L134 D140 L141	R133-A137 WeakPolarHBondContact O-CB 3.5Å; R133-A137 PolarHBondContact O-N 3.26Å; L134-A137 PolarHBondContact O-N 3.36Å; L134-A137 VanDerWaalsContact O-N 3.16Å; A137-D140 PolarHBondContact O-N 2.94Å; A137-L141 WeakPolarHBondContact O-CB 3.38Å; A137-L141 PolarHBondContact O-N 2.95Å
138	Q	96.3	Very high	96.1	Very high	102 Å²	102	98.4 Å²	98.4	48%	0.477	50%	0.497	S	S	.	.	H	α-helix	trans	-65.9	-42.7	174.2	-74.4	177.3	-19.6	0	0	111.9	L134 D135 K136 D140 L141 T142	L134-Q138 WeakPolarHBondContact O-CG 3.37Å; L134-Q138 PolarHBondContact O-N 3.39Å; D135-Q138 PolarHBondContact O-N 2.95Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 2.87Å; Q138-D140 VanDerWaalsContact C-N 3.31Å; Q138-D140 PolarHBondContact O-N 3.28Å; Q138-L141 PolarHBondContact O-N 2.9Å; Q138-T142 WeakPolarHBondContact O-CG2 3.35Å; Q138-T142 PolarHBondContact O-N 2.95Å; Q138-T142 PolarHBondContact O-OG1 3.05Å
139	N	96.1	Very high	96	Very high	92 Å²	92	96.7 Å²	96.7	49%	0.492	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-35.9	174.8	-74.7	-38.7	0	0	0	112.4	D135 K136 T142 K143	D135-N139 WeakPolarHBondContact O-CB 3.38Å; D135-N139 VanDerWaalsContact O-CG 3.25Å; D135-N139 PolarHBondContact O-N 3.49Å; D135-N139 PolarHBondContact O-ND2 3Å; K136-N139 PolarHBondContact O-N 3.18Å; N139-T142 WeakPolarHBondContact CA-OG1 3.5Å; N139-T142 PolarHBondContact O-OG1 2.94Å; N139-K143 WeakPolarHBondContact O-CD 3.33Å; N139-K143 VanDerWaalsContact O-CG 3.23Å; N139-K143 WeakPolarHBondContact O-CG 3.35Å; N139-K143 PolarHBondContact O-N 3.46Å
140	D	96	Very high	96	Very high	70 Å²	70	98.6 Å²	98.6	37%	0.374	50%	0.498	S	S	.	.	H	α-helix	trans	-74.4	-37.2	176.2	-70.8	-21.2	0	0	0	111.4	K136 A137 Q138 K143 K144	K136-D140 WeakPolarHBondContact O-CB 3.47Å; K136-D140 PolarHBondContact O-N 2.84Å; A137-D140 PolarHBondContact O-N 2.94Å; Q138-D140 VanDerWaalsContact C-N 3.31Å; Q138-D140 PolarHBondContact O-N 3.28Å; D140-K143 PolarHBondContact O-N 2.93Å; D140-K143 IonicContact OD1-NZ 3.46Å; D140-K144 VanDerWaalsContact O-CG 3.26Å; D140-K144 WeakPolarHBondContact O-CG 3.43Å; D140-K144 PolarHBondContact O-N 3.33Å
141	L	95.3	Very high	95.9	Very high	100 Å²	100	98.8 Å²	98.8	52%	0.524	50%	0.502	S	S	.	.	H	α-helix	trans	-60.5	-51	173.5	-179.9	63.6	0	0	0	111.4	A137 Q138 K143 K144 E145	A137-L141 WeakPolarHBondContact O-CB 3.38Å; A137-L141 PolarHBondContact O-N 2.95Å; Q138-L141 PolarHBondContact O-N 2.9Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 3.34Å; L141-K144 CarbonylContact O-C 3.55Å; L141-K144 WeakPolarHBondContact O-CA 3.39Å; L141-K144 WeakPolarHBondContact O-CB 3.5Å; L141-K144 PolarHBondContact O-N 2.97Å; L141-E145 HydrophobicContact CD1-CG 4.36Å; L141-E145 HydrophobicContact CG-CG 4.41Å; L141-E145 WeakPolarHBondContact O-CG 3.33Å; L141-E145 PolarHBondContact O-N 3.09Å
142	T	96	Very high	95.9	Very high	62 Å²	62	99.3 Å²	99.3	38%	0.38	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-38.6	178.3	50.8	0	0	0	0	112.3	Q138 N139 E145 N146	Q138-T142 WeakPolarHBondContact O-CG2 3.35Å; Q138-T142 PolarHBondContact O-N 2.95Å; Q138-T142 PolarHBondContact O-OG1 3.05Å; N139-T142 WeakPolarHBondContact CA-OG1 3.5Å; N139-T142 PolarHBondContact O-OG1 2.94Å; T142-E145 PolarHBondContact O-N 3.23Å; T142-N146 WeakPolarHBondContact O-CB 3.48Å; T142-N146 PolarHBondContact O-N 3.29Å; T142-N146 PolarHBondContact O-ND2 3.36Å; T142-N146 VanDerWaalsContact O-ND2 3.1Å
143	K	96.4	Very high	95.9	Very high	124 Å²	124	103 Å²	103	54%	0.539	51%	0.511	S	S	.	.	H	α-helix	trans	-61.3	-44	171.3	-73.1	169.1	-167.5	165.9	0	111.8	N139 D140 L141 N146 T147	N139-K143 WeakPolarHBondContact O-CD 3.33Å; N139-K143 VanDerWaalsContact O-CG 3.23Å; N139-K143 WeakPolarHBondContact O-CG 3.35Å; N139-K143 PolarHBondContact O-N 3.46Å; D140-K143 PolarHBondContact O-N 2.93Å; D140-K143 IonicContact OD1-NZ 3.46Å; L141-K143 VanDerWaalsContact C-N 3.31Å; L141-K143 PolarHBondContact O-N 3.34Å; K143-N146 PolarHBondContact O-N 3.26Å; K143-T147 WeakPolarHBondContact O-CG2 3.43Å; K143-T147 PolarHBondContact O-N 2.88Å; K143-T147 PolarHBondContact O-OG1 3.38Å
144	K	94.9	Very high	95.9	Very high	140 Å²	140	100 Å²	100	61%	0.609	50%	0.504	S	S	*	.	H	α-helix	trans	-65.9	-43.2	178.9	-67.5	-66.2	179.2	-175.4	0	111.7	D140 L141 N146 T147 I148	D140-K144 VanDerWaalsContact O-CG 3.26Å; D140-K144 WeakPolarHBondContact O-CG 3.43Å; D140-K144 PolarHBondContact O-N 3.33Å; L141-K144 CarbonylContact O-C 3.55Å; L141-K144 WeakPolarHBondContact O-CA 3.39Å; L141-K144 WeakPolarHBondContact O-CB 3.5Å; L141-K144 PolarHBondContact O-N 2.97Å; K144-N146 VanDerWaalsContact C-N 3.34Å; K144-N146 PolarHBondContact O-N 2.83Å; K144-T147 WeakPolarHBondContact CA-OG1 3.22Å; K144-T147 PolarHBondContact O-N 3.11Å; K144-T147 VanDerWaalsContact O-N 3.14Å; K144-T147 PolarHBondContact O-OG1 3.14Å; K144-I148 VanDerWaalsContact O-CG1 3.31Å; K144-I148 WeakPolarHBondContact O-CG1 3.38Å; K144-I148 PolarHBondContact O-N 2.95Å
145	E	96.5	Very high	95.7	Very high	100 Å²	100	99.8 Å²	99.8	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-57.2	-46.5	173.9	-71.5	171.6	160.5	0	0	111.4	L141 T142 T147 I148 A149	L141-E145 HydrophobicContact CD1-CG 4.36Å; L141-E145 HydrophobicContact CG-CG 4.41Å; L141-E145 WeakPolarHBondContact O-CG 3.33Å; L141-E145 PolarHBondContact O-N 3.09Å; T142-E145 PolarHBondContact O-N 3.23Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 2.69Å; E145-I148 PolarHBondContact O-N 2.99Å; E145-A149 WeakPolarHBondContact O-CB 3.28Å; E145-A149 PolarHBondContact O-N 3.32Å
146	N	95.5	Very high	95.6	Very high	114 Å²	114	98.4 Å²	98.4	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-39.7	175.6	-71.4	-31.2	0	0	0	112.5	T142 K143 K144 Y150	T142-N146 WeakPolarHBondContact O-CB 3.48Å; T142-N146 PolarHBondContact O-N 3.29Å; T142-N146 PolarHBondContact O-ND2 3.36Å; T142-N146 VanDerWaalsContact O-ND2 3.1Å; K143-N146 PolarHBondContact O-N 3.26Å; K144-N146 VanDerWaalsContact C-N 3.34Å; K144-N146 PolarHBondContact O-N 2.83Å; N146-Y150 WeakPolarHBondContact O-CB 3.31Å; N146-Y150 PolarHBondContact O-N 3.03Å
147	T	96	Very high	95.5	Very high	70 Å²	70	95.4 Å²	95.4	43%	0.429	49%	0.494	S	S	.	.	H	α-helix	trans	-68.3	-36.8	175.3	57.5	0	0	0	0	112.7	K143 K144 E145 Y150 L151	K143-T147 WeakPolarHBondContact O-CG2 3.43Å; K143-T147 PolarHBondContact O-N 2.88Å; K143-T147 PolarHBondContact O-OG1 3.38Å; K144-T147 WeakPolarHBondContact CA-OG1 3.22Å; K144-T147 PolarHBondContact O-N 3.11Å; K144-T147 VanDerWaalsContact O-N 3.14Å; K144-T147 PolarHBondContact O-OG1 3.14Å; E145-T147 VanDerWaalsContact C-N 3.34Å; E145-T147 PolarHBondContact O-N 2.69Å; T147-Y150 PolarHBondContact O-N 3Å; T147-L151 WeakPolarHBondContact O-CB 3.38Å; T147-L151 VanDerWaalsContact O-CG 3.27Å; T147-L151 WeakPolarHBondContact O-CG 3.4Å; T147-L151 PolarHBondContact O-N 2.82Å
148	I	95.3	Very high	95.5	Very high	89 Å²	89	95.3 Å²	95.3	46%	0.456	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-50.6	175.9	-71.6	164.2	0	0	0	109.3	K144 E145 Y150 L151 E152	K144-I148 VanDerWaalsContact O-CG1 3.31Å; K144-I148 WeakPolarHBondContact O-CG1 3.38Å; K144-I148 PolarHBondContact O-N 2.95Å; E145-I148 PolarHBondContact O-N 2.99Å; I148-Y150 VanDerWaalsContact C-N 3.26Å; I148-Y150 PolarHBondContact O-N 3.18Å; I148-L151 PolarHBondContact O-N 3.41Å; I148-E152 HydrophobicContact CG2-CG 4.16Å; I148-E152 WeakPolarHBondContact O-CB 3.46Å; I148-E152 WeakPolarHBondContact O-CG 3.15Å; I148-E152 PolarHBondContact O-N 3.16Å
149	A	96.1	Very high	95.4	Very high	54 Å²	54	96 Å²	96	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-57.6	-39	177.8	0	0	0	0	0	112.4	E145 K153	E145-A149 WeakPolarHBondContact O-CB 3.28Å; E145-A149 PolarHBondContact O-N 3.32Å; A149-K153 WeakPolarHBondContact O-CB 3.48Å; A149-K153 PolarHBondContact O-N 2.87Å
150	Y	95.4	Very high	95.4	Very high	144 Å²	144	98.9 Å²	98.9	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-64.4	-45.5	174.2	178	-105	0	0	0	112.6	N146 T147 I148 K153 Q154	N146-Y150 WeakPolarHBondContact O-CB 3.31Å; N146-Y150 PolarHBondContact O-N 3.03Å; T147-Y150 PolarHBondContact O-N 3Å; I148-Y150 VanDerWaalsContact C-N 3.26Å; I148-Y150 PolarHBondContact O-N 3.18Å; Y150-K153 PolarHBondContact O-N 3.47Å; Y150-Q154 HydrophobicContact CE1-CG 4.28Å; Y150-Q154 WeakPolarHBondContact O-CG 3.35Å; Y150-Q154 PolarHBondContact O-N 3.37Å; Y150-Q154 PolarHBondContact OH-NE2 3.32Å
151	L	94.7	Very high	95.3	Very high	101 Å²	101	102.4 Å²	102.4	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-37.2	178.3	-70.7	172.5	0	0	0	112.3	T147 I148 K153 Q154 L155	T147-L151 WeakPolarHBondContact O-CB 3.38Å; T147-L151 VanDerWaalsContact O-CG 3.27Å; T147-L151 WeakPolarHBondContact O-CG 3.4Å; T147-L151 PolarHBondContact O-N 2.82Å; I148-L151 PolarHBondContact O-N 3.41Å; L151-K153 VanDerWaalsContact C-N 3.35Å; L151-Q154 PolarHBondContact O-N 3.38Å; L151-L155 VanDerWaalsContact O-CB 3.27Å; L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 PolarHBondContact O-N 2.89Å
152	E	96.2	Very high	95.2	Very high	125 Å²	125	103.5 Å²	103.5	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-61.8	-43.1	173.8	-75.1	178.4	161.2	0	0	111.2	I148 L155 A156	I148-E152 HydrophobicContact CG2-CG 4.16Å; I148-E152 WeakPolarHBondContact O-CB 3.46Å; I148-E152 WeakPolarHBondContact O-CG 3.15Å; I148-E152 PolarHBondContact O-N 3.16Å; E152-L155 PolarHBondContact O-N 2.85Å; E152-A156 WeakPolarHBondContact O-CB 3.41Å; E152-A156 PolarHBondContact O-N 3.48Å
153	K	95.4	Very high	95.2	Very high	139 Å²	139	106.1 Å²	106.1	60%	0.604	52%	0.521	S	S	*	.	H	α-helix	trans	-60.9	-47.8	173.2	-176.3	-179	177.2	-179.3	0	111.7	A149 Y150 L151 L155 A156 D157	A149-K153 WeakPolarHBondContact O-CB 3.48Å; A149-K153 PolarHBondContact O-N 2.87Å; Y150-K153 PolarHBondContact O-N 3.47Å; L151-K153 VanDerWaalsContact C-N 3.35Å; K153-L155 VanDerWaalsContact C-N 3.3Å; K153-L155 PolarHBondContact O-N 2.82Å; K153-A156 PolarHBondContact O-N 3.17Å; K153-D157 PolarHBondContact O-N 3.34Å
154	Q	96.6	Very high	95.1	Very high	91 Å²	91	103.9 Å²	103.9	43%	0.425	51%	0.512	S	S	.	.	H	α-helix	trans	-61.1	-39.5	177.4	-73.7	-165.4	-10	0	0	112.5	Y150 L151 D157 A158	Y150-Q154 HydrophobicContact CE1-CG 4.28Å; Y150-Q154 WeakPolarHBondContact O-CG 3.35Å; Y150-Q154 PolarHBondContact O-N 3.37Å; Y150-Q154 PolarHBondContact OH-NE2 3.32Å; L151-Q154 PolarHBondContact O-N 3.38Å; Q154-D157 PolarHBondContact O-N 2.85Å; Q154-A158 VanDerWaalsContact O-CB 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.39Å; Q154-A158 PolarHBondContact O-N 2.84Å
155	L	93	Very high	95	Very high	96 Å²	96	100 Å²	100	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-68.7	-37.9	178.5	-175.6	144.9	0	0	0	111.5	L151 E152 K153 K159	L151-L155 VanDerWaalsContact O-CB 3.27Å; L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 PolarHBondContact O-N 2.89Å; E152-L155 PolarHBondContact O-N 2.85Å; K153-L155 VanDerWaalsContact C-N 3.3Å; K153-L155 PolarHBondContact O-N 2.82Å; L155-K159 HydrophobicContact CD2-CD 3.74Å; L155-K159 VanDerWaalsContact CD2-CE 3.43Å; L155-K159 HydrophobicContact CD2-CG 4.38Å; L155-K159 WeakPolarHBondContact O-CB 3.37Å; L155-K159 VanDerWaalsContact O-CG 3.31Å; L155-K159 WeakPolarHBondContact O-CG 3.42Å; L155-K159 PolarHBondContact O-N 3.16Å
156	A	94.7	Very high	94.9	Very high	56 Å²	56	100.3 Å²	100.3	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-63.9	-45.5	172.5	0	0	0	0	0	111.8	E152 K153 A158 K159 R160	E152-A156 WeakPolarHBondContact O-CB 3.41Å; E152-A156 PolarHBondContact O-N 3.48Å; K153-A156 PolarHBondContact O-N 3.17Å; A156-A158 PolarHBondContact O-N 3.42Å; A156-K159 PolarHBondContact O-N 3Å; A156-R160 PolarHBondContact O-N 3.12Å
157	D	93.9	Very high	94.9	Very high	77 Å²	77	102.3 Å²	102.3	41%	0.412	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-41.6	176.5	-73.8	-23.1	0	0	0	111.8	K153 Q154 R160 K161	K153-D157 PolarHBondContact O-N 3.34Å; Q154-D157 PolarHBondContact O-N 2.85Å; D157-R160 PolarHBondContact O-N 3Å; D157-K161 WeakPolarHBondContact O-CG 3.44Å; D157-K161 PolarHBondContact O-N 3.02Å
158	A	94.4	Very high	94.9	Very high	56 Å²	56	105.6 Å²	105.6	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-64	-46.4	175.9	0	0	0	0	0	111.8	Q154 A156 R160 K161 E162	Q154-A158 VanDerWaalsContact O-CB 3.29Å; Q154-A158 WeakPolarHBondContact O-CB 3.39Å; Q154-A158 PolarHBondContact O-N 2.84Å; A156-A158 PolarHBondContact O-N 3.42Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.27Å; A158-K161 PolarHBondContact O-N 3.14Å; A158-E162 WeakPolarHBondContact O-CB 3.43Å; A158-E162 PolarHBondContact O-N 3.38Å
159	K	95.3	Very high	94.8	Very high	116 Å²	116	107.6 Å²	107.6	50%	0.504	53%	0.529	S	S	.	.	H	α-helix	trans	-59.7	-39.6	174.7	-80.2	-180	175.5	177.5	0	112.2	L155 A156 E162 Q163	L155-K159 HydrophobicContact CD2-CD 3.74Å; L155-K159 VanDerWaalsContact CD2-CE 3.43Å; L155-K159 HydrophobicContact CD2-CG 4.38Å; L155-K159 WeakPolarHBondContact O-CB 3.37Å; L155-K159 VanDerWaalsContact O-CG 3.31Å; L155-K159 WeakPolarHBondContact O-CG 3.42Å; L155-K159 PolarHBondContact O-N 3.16Å; A156-K159 PolarHBondContact O-N 3Å; K159-E162 PolarHBondContact O-N 3.3Å; K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 2.97Å
160	R	95.1	Very high	94.7	Very high	153 Å²	153	112.2 Å²	112.2	58%	0.577	54%	0.541	S	S	*	.	H	α-helix	trans	-63.8	-46.1	176.8	-157.9	-169.3	92.2	173.3	4.4	111.4	A156 D157 A158 E162 Q163 E164	A156-R160 PolarHBondContact O-N 3.12Å; D157-R160 PolarHBondContact O-N 3Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.27Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 2.98Å; R160-Q163 PolarHBondContact O-N 2.91Å; R160-E164 IonicContact CZ-OE1 3.57Å; R160-E164 VanDerWaalsContact CZ-OE1 3.32Å; R160-E164 IonicContact NE-OE1 3.43Å; R160-E164 PolarHBondContact NE-OE1 3.28Å; R160-E164 IonicContact NH2-OE1 2.91Å; R160-E164 PolarHBondContact NH2-OE1 2.91Å; R160-E164 VanDerWaalsContact NH2-OE1 3.07Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 3.47Å
161	K	94.8	Very high	94.7	Very high	144 Å²	144	108.3 Å²	108.3	63%	0.626	54%	0.535	S	S	*	.	H	α-helix	trans	-62	-40.6	176.1	-72.3	173.6	-178	176.5	0	112	D157 A158 E164 A165	D157-K161 WeakPolarHBondContact O-CG 3.44Å; D157-K161 PolarHBondContact O-N 3.02Å; A158-K161 PolarHBondContact O-N 3.14Å; K161-E164 PolarHBondContact O-N 3.36Å; K161-A165 WeakPolarHBondContact O-CB 3.45Å; K161-A165 PolarHBondContact O-N 2.94Å
162	E	94.1	Very high	94.7	Very high	122 Å²	122	108 Å²	108	57%	0.57	53%	0.532	S	S	*	.	H	α-helix	trans	-61.1	-48	174.8	-175.4	-175.1	-178.9	0	0	111.4	A158 K159 R160 E164 A165 L166	A158-E162 WeakPolarHBondContact O-CB 3.43Å; A158-E162 PolarHBondContact O-N 3.38Å; K159-E162 PolarHBondContact O-N 3.3Å; R160-E162 VanDerWaalsContact C-N 3.34Å; R160-E162 PolarHBondContact O-N 2.98Å; E162-E164 PolarHBondContact O-N 2.86Å; E162-A165 PolarHBondContact O-N 3.23Å; E162-L166 HydrophobicContact CG-CD1 4.31Å; E162-L166 WeakPolarHBondContact O-CG 3.26Å; E162-L166 PolarHBondContact O-N 3.45Å
163	Q	94.5	Very high	94.6	Very high	118 Å²	118	103.8 Å²	103.8	55%	0.551	52%	0.52	S	S	*	.	H	α-helix	trans	-62.2	-41	176.7	-73.1	178.8	-0.3	0	0	112.5	K159 R160 L166 K167	K159-Q163 WeakPolarHBondContact O-CG 3.49Å; K159-Q163 PolarHBondContact O-N 2.97Å; R160-Q163 PolarHBondContact O-N 2.91Å; Q163-L166 PolarHBondContact O-N 2.92Å; Q163-K167 WeakPolarHBondContact O-CG 3.47Å; Q163-K167 PolarHBondContact O-N 3.42Å
164	E	94	Very high	94.6	Very high	77 Å²	77	98.5 Å²	98.5	36%	0.36	50%	0.504	S	S	.	.	H	α-helix	trans	-62.8	-42.1	174.3	-73.7	172.9	-156.6	0	0	111.5	R160 K161 E162 K167 K168	R160-E164 IonicContact CZ-OE1 3.57Å; R160-E164 VanDerWaalsContact CZ-OE1 3.32Å; R160-E164 IonicContact NE-OE1 3.43Å; R160-E164 PolarHBondContact NE-OE1 3.28Å; R160-E164 IonicContact NH2-OE1 2.91Å; R160-E164 PolarHBondContact NH2-OE1 2.91Å; R160-E164 VanDerWaalsContact NH2-OE1 3.07Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 3.47Å; K161-E164 PolarHBondContact O-N 3.36Å; E162-E164 PolarHBondContact O-N 2.86Å; E164-K167 PolarHBondContact O-N 3.26Å; E164-K168 WeakPolarHBondContact O-CG 3.32Å; E164-K168 PolarHBondContact O-N 2.92Å; E164-K168 VanDerWaalsContact O-N 3.1Å
165	A	93.4	Very high	94.5	Very high	57 Å²	57	99 Å²	99	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-41.5	176.4	0	0	0	0	0	112.2	K161 E162 K168 H169	K161-A165 WeakPolarHBondContact O-CB 3.45Å; K161-A165 PolarHBondContact O-N 2.94Å; E162-A165 PolarHBondContact O-N 3.23Å; A165-K168 PolarHBondContact O-N 2.92Å; A165-H169 WeakPolarHBondContact O-CB 3.46Å; A165-H169 PolarHBondContact O-N 3.49Å
166	L	94.9	Very high	94.5	Very high	107 Å²	107	98.2 Å²	98.2	56%	0.56	50%	0.503	S	S	*	.	H	α-helix	trans	-62.7	-42.4	176.1	-76.1	172.2	0	0	0	112.2	E162 Q163 H169 H170	E162-L166 HydrophobicContact CG-CD1 4.31Å; E162-L166 WeakPolarHBondContact O-CG 3.26Å; E162-L166 PolarHBondContact O-N 3.45Å; Q163-L166 PolarHBondContact O-N 2.92Å; L166-H169 PolarHBondContact O-N 3.32Å; L166-H170 WeakPolarHBondContact O-CB 3.37Å; L166-H170 PolarHBondContact O-N 2.84Å
167	K	95.2	Very high	94.5	Very high	157 Å²	157	99.1 Å²	99.1	68%	0.683	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-44.8	175.1	-73.1	177.3	-177.8	-179.1	0	111.8	Q163 E164 H170 S171	Q163-K167 WeakPolarHBondContact O-CG 3.47Å; Q163-K167 PolarHBondContact O-N 3.42Å; E164-K167 PolarHBondContact O-N 3.26Å; K167-H170 PolarHBondContact O-N 3.5Å; K167-S171 PolarHBondContact O-N 3.05Å
168	K	95.4	Very high	94.5	Very high	138 Å²	138	102 Å²	102	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-62.4	-44.5	175.8	-72.1	176.6	-177.8	178.1	0	111.7	E164 A165 H170 S171 I172	E164-K168 WeakPolarHBondContact O-CG 3.32Å; E164-K168 PolarHBondContact O-N 2.92Å; E164-K168 VanDerWaalsContact O-N 3.1Å; A165-K168 PolarHBondContact O-N 2.92Å; K168-H170 VanDerWaalsContact C-N 3.3Å; K168-H170 PolarHBondContact O-N 3.44Å; K168-S171 PolarHBondContact O-N 3.34Å; K168-I172 WeakPolarHBondContact O-CB 3.41Å; K168-I172 VanDerWaalsContact O-CG1 3.32Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.4Å
169	H	94.2	Very high	94.5	Very high	132 Å²	132	103.6 Å²	103.6	61%	0.611	51%	0.512	S	S	*	.	H	α-helix	trans	-58.6	-43.2	175.2	178.8	-84.6	0	0	0	111.3	A165 L166 I172 A173	A165-H169 WeakPolarHBondContact O-CB 3.46Å; A165-H169 PolarHBondContact O-N 3.49Å; L166-H169 PolarHBondContact O-N 3.32Å; H169-I172 PolarHBondContact O-N 2.94Å; H169-A173 WeakPolarHBondContact O-CB 3.4Å; H169-A173 PolarHBondContact O-N 2.87Å
170	H	94.6	Very high	94.4	Very high	150 Å²	150	104.8 Å²	104.8	69%	0.694	52%	0.517	S	S	*	.	H	α-helix	trans	-64.8	-41	178	-159.2	74.8	0	0	0	112.5	L166 K167 K168 G174	L166-H170 WeakPolarHBondContact O-CB 3.37Å; L166-H170 PolarHBondContact O-N 2.84Å; K167-H170 PolarHBondContact O-N 3.5Å; K168-H170 VanDerWaalsContact C-N 3.3Å; K168-H170 PolarHBondContact O-N 3.44Å; H170-G174 PolarHBondContact O-N 2.87Å
171	S	95.2	Very high	94.4	Very high	63 Å²	63	103.9 Å²	103.9	44%	0.441	52%	0.519	S	S	.	.	H	α-helix	trans	-61.8	-52	174.1	-163.8	0	0	0	0	111.7	K167 K168 A173 G174 E175	K167-S171 PolarHBondContact O-N 3.05Å; K168-S171 PolarHBondContact O-N 3.34Å; S171-A173 VanDerWaalsContact C-N 3.31Å; S171-A173 PolarHBondContact O-N 3.1Å; S171-G174 PolarHBondContact O-N 3.47Å; S171-G174 VanDerWaalsContact O-N 3.14Å; S171-E175 WeakPolarHBondContact O-CG 3.39Å; S171-E175 PolarHBondContact O-N 3.47Å; S171-E175 PolarHBondContact OG-OE1 3.35Å
172	I	94	Very high	94.4	Very high	93 Å²	93	101.8 Å²	101.8	48%	0.477	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-38.6	-179.5	-68	168.4	0	0	0	110.8	K168 H169 E175 N176	K168-I172 WeakPolarHBondContact O-CB 3.41Å; K168-I172 VanDerWaalsContact O-CG1 3.32Å; K168-I172 WeakPolarHBondContact O-CG1 3.39Å; K168-I172 PolarHBondContact O-N 3.4Å; H169-I172 PolarHBondContact O-N 2.94Å; I172-E175 PolarHBondContact O-N 3.49Å; I172-N176 WeakPolarHBondContact CG2-ND2 3.31Å; I172-N176 WeakPolarHBondContact O-CB 3.45Å; I172-N176 PolarHBondContact O-N 3.3Å; I172-N176 PolarHBondContact O-ND2 3.4Å
173	A	94.3	Very high	94.3	Very high	38 Å²	38	101 Å²	101	31%	0.314	51%	0.512	S	S	.	.	H	α-helix	trans	-63.5	-44.2	175.1	0	0	0	0	0	111.2	H169 S171 N176 T177	H169-A173 WeakPolarHBondContact O-CB 3.4Å; H169-A173 PolarHBondContact O-N 2.87Å; S171-A173 VanDerWaalsContact C-N 3.31Å; S171-A173 PolarHBondContact O-N 3.1Å; A173-N176 PolarHBondContact O-N 2.86Å; A173-T177 PolarHBondContact O-N 2.95Å; A173-T177 PolarHBondContact O-OG1 3.42Å
174	G	94.6	Very high	94.3	Very high	28 Å²	28	100.4 Å²	100.4	29%	0.289	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-41.2	175.5	0	0	0	0	0	113.5	H170 S171 T177 K178	H170-G174 PolarHBondContact O-N 2.87Å; S171-G174 PolarHBondContact O-N 3.47Å; S171-G174 VanDerWaalsContact O-N 3.14Å; G174-T177 VanDerWaalsContact C-OG1 3.3Å; G174-T177 WeakPolarHBondContact CA-OG1 3.43Å; G174-T177 PolarHBondContact O-N 3.26Å; G174-T177 PolarHBondContact O-OG1 3.45Å; G174-K178 WeakPolarHBondContact O-CG 3.35Å; G174-K178 PolarHBondContact O-N 3.31Å; G174-K178 VanDerWaalsContact O-N 3.14Å
175	E	95	Very high	94.4	Very high	102 Å²	102	99.4 Å²	99.4	48%	0.477	52%	0.521	S	S	.	.	H	α-helix	trans	-64.5	-43.7	173.6	-72.4	163.9	-144.5	0	0	111.5	S171 I172 T177 K178 L179	S171-E175 WeakPolarHBondContact O-CG 3.39Å; S171-E175 PolarHBondContact O-N 3.47Å; S171-E175 PolarHBondContact OG-OE1 3.35Å; I172-E175 PolarHBondContact O-N 3.49Å; E175-T177 VanDerWaalsContact C-N 3.3Å; E175-T177 PolarHBondContact O-N 2.9Å; E175-K178 PolarHBondContact O-N 3.48Å; E175-L179 WeakPolarHBondContact O-CB 3.36Å; E175-L179 WeakPolarHBondContact O-CG 3.37Å; E175-L179 PolarHBondContact O-N 3.21Å
176	N	92.5	Very high	94.3	Very high	78 Å²	78	102.8 Å²	102.8	42%	0.417	53%	0.525	S	S	.	.	H	α-helix	trans	-61.5	-36.7	175.2	-86.1	-66.5	0	0	0	112.5	I172 A173 K180	I172-N176 WeakPolarHBondContact CG2-ND2 3.31Å; I172-N176 WeakPolarHBondContact O-CB 3.45Å; I172-N176 PolarHBondContact O-N 3.3Å; I172-N176 PolarHBondContact O-ND2 3.4Å; A173-N176 PolarHBondContact O-N 2.86Å; N176-K180 WeakPolarHBondContact O-CB 3.31Å; N176-K180 WeakPolarHBondContact O-CG 3.35Å; N176-K180 PolarHBondContact O-N 2.85Å
177	T	94.7	Very high	94.3	Very high	76 Å²	76	100.5 Å²	100.5	47%	0.466	52%	0.518	S	S	.	.	H	α-helix	trans	-65.1	-44.9	174.7	45.8	0	0	0	0	111.8	A173 G174 E175 K180 E181	A173-T177 PolarHBondContact O-N 2.95Å; A173-T177 PolarHBondContact O-OG1 3.42Å; G174-T177 VanDerWaalsContact C-OG1 3.3Å; G174-T177 WeakPolarHBondContact CA-OG1 3.43Å; G174-T177 PolarHBondContact O-N 3.26Å; G174-T177 PolarHBondContact O-OG1 3.45Å; E175-T177 VanDerWaalsContact C-N 3.3Å; E175-T177 PolarHBondContact O-N 2.9Å; T177-K180 PolarHBondContact O-N 2.93Å; T177-E181 WeakPolarHBondContact O-CG 3.49Å; T177-E181 PolarHBondContact O-N 3.5Å
178	K	94.4	Very high	94.3	Very high	136 Å²	136	100.8 Å²	100.8	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-45.6	177.1	-68.2	176.2	-178.1	-177.9	0	112	G174 E175 K180 E181 E182	G174-K178 WeakPolarHBondContact O-CG 3.35Å; G174-K178 PolarHBondContact O-N 3.31Å; G174-K178 VanDerWaalsContact O-N 3.14Å; E175-K178 PolarHBondContact O-N 3.48Å; K178-K180 VanDerWaalsContact C-N 3.29Å; K178-K180 PolarHBondContact O-N 2.9Å; K178-E181 WeakPolarHBondContact O-CB 3.46Å; K178-E181 PolarHBondContact O-N 2.93Å; K178-E182 WeakPolarHBondContact O-CG 3.35Å; K178-E182 PolarHBondContact O-N 2.94Å
179	L	93.8	Very high	94.2	Very high	90 Å²	90	98.1 Å²	98.1	47%	0.471	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-34.6	177.3	-73.4	172.2	0	0	0	112.3	E175 N183	E175-L179 WeakPolarHBondContact O-CB 3.36Å; E175-L179 WeakPolarHBondContact O-CG 3.37Å; E175-L179 PolarHBondContact O-N 3.21Å; L179-N183 WeakPolarHBondContact O-CB 3.27Å; L179-N183 PolarHBondContact O-N 3Å; L179-N183 PolarHBondContact O-ND2 2.89Å
180	K	94.2	Very high	94.1	Very high	141 Å²	141	96.8 Å²	96.8	61%	0.613	51%	0.506	S	S	*	.	H	α-helix	trans	-65.8	-44.9	172.7	-78.2	174.7	-178.6	-177.5	0	111.5	N176 T177 K178 N183 V184	N176-K180 WeakPolarHBondContact O-CB 3.31Å; N176-K180 WeakPolarHBondContact O-CG 3.35Å; N176-K180 PolarHBondContact O-N 2.85Å; T177-K180 PolarHBondContact O-N 2.93Å; K178-K180 VanDerWaalsContact C-N 3.29Å; K178-K180 PolarHBondContact O-N 2.9Å; K180-N183 PolarHBondContact O-N 2.93Å; K180-V184 WeakPolarHBondContact O-CG2 3.29Å; K180-V184 PolarHBondContact O-N 3.36Å
181	E	94.2	Very high	94.1	Very high	134 Å²	134	96.7 Å²	96.7	63%	0.626	50%	0.503	S	S	*	.	H	α-helix	trans	-61.4	-45	176.2	-71.5	169.8	-175.9	0	0	111.7	T177 K178 N183 V184 A185	T177-E181 WeakPolarHBondContact O-CG 3.49Å; T177-E181 PolarHBondContact O-N 3.5Å; K178-E181 WeakPolarHBondContact O-CB 3.46Å; K178-E181 PolarHBondContact O-N 2.93Å; E181-N183 PolarHBondContact O-N 3.23Å; E181-V184 PolarHBondContact O-N 3.46Å; E181-A185 WeakPolarHBondContact O-CB 3.35Å; E181-A185 PolarHBondContact O-N 3.37Å
182	E	94.8	Very high	94	Very high	100 Å²	100	98.7 Å²	98.7	47%	0.467	50%	0.501	S	S	.	.	H	α-helix	trans	-62	-41.8	175.2	-74.3	-179.3	-161.3	0	0	112.5	K178 A185 K186	K178-E182 WeakPolarHBondContact O-CG 3.35Å; K178-E182 PolarHBondContact O-N 2.94Å; E182-A185 PolarHBondContact O-N 3.4Å; E182-K186 WeakPolarHBondContact O-CB 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.4Å; E182-K186 PolarHBondContact O-N 3.37Å
183	N	92.2	Very high	93.9	Very high	107 Å²	107	98.1 Å²	98.1	57%	0.572	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-39.8	176.1	-84.7	-35.6	0	0	0	112	L179 K180 E181 S187	L179-N183 WeakPolarHBondContact O-CB 3.27Å; L179-N183 PolarHBondContact O-N 3Å; L179-N183 PolarHBondContact O-ND2 2.89Å; K180-N183 PolarHBondContact O-N 2.93Å; E181-N183 PolarHBondContact O-N 3.23Å; N183-S187 WeakPolarHBondContact O-CB 3.42Å; N183-S187 PolarHBondContact O-N 3.49Å
184	V	95.6	Very high	93.9	Very high	104 Å²	104	101.6 Å²	101.6	63%	0.63	51%	0.508	S	S	*	.	H	α-helix	trans	-64.7	-43.9	174.5	171.2	0	0	0	0	110.6	K180 E181 S187 K188	K180-V184 WeakPolarHBondContact O-CG2 3.29Å; K180-V184 PolarHBondContact O-N 3.36Å; E181-V184 PolarHBondContact O-N 3.46Å; V184-S187 PolarHBondContact O-N 3.05Å; V184-K188 WeakPolarHBondContact O-CB 3.42Å; V184-K188 PolarHBondContact O-N 2.81Å
185	A	94.5	Very high	93.9	Very high	57 Å²	57	101.7 Å²	101.7	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-63	-48.6	177.9	0	0	0	0	0	112	E181 E182 S187 K188 E189	E181-A185 WeakPolarHBondContact O-CB 3.35Å; E181-A185 PolarHBondContact O-N 3.37Å; E182-A185 PolarHBondContact O-N 3.4Å; A185-S187 PolarHBondContact O-N 3.25Å; A185-K188 PolarHBondContact O-N 3.07Å; A185-E189 WeakPolarHBondContact O-CB 3.36Å; A185-E189 PolarHBondContact O-N 3.4Å
186	K	93.1	Very high	93.9	Very high	128 Å²	128	100.8 Å²	100.8	56%	0.557	51%	0.505	S	S	*	.	H	α-helix	trans	-63.5	-39.2	176.3	-73.7	177.4	179.8	169.2	0	112.1	E182 K188 E189 L190	E182-K186 WeakPolarHBondContact O-CB 3.24Å; E182-K186 WeakPolarHBondContact O-CG 3.4Å; E182-K186 PolarHBondContact O-N 3.37Å; K186-K188 VanDerWaalsContact C-N 3.35Å; K186-E189 PolarHBondContact O-N 3.43Å; K186-L190 WeakPolarHBondContact O-CB 3.46Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 3.28Å
187	S	94.9	Very high	93.9	Very high	59 Å²	59	102.6 Å²	102.6	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-39.2	175.2	-179.5	0	0	0	0	112	N183 V184 A185 K191	N183-S187 WeakPolarHBondContact O-CB 3.42Å; N183-S187 PolarHBondContact O-N 3.49Å; V184-S187 PolarHBondContact O-N 3.05Å; A185-S187 PolarHBondContact O-N 3.25Å; S187-K191 WeakPolarHBondContact O-CG 3.43Å; S187-K191 PolarHBondContact O-N 2.89Å; S187-K191 VanDerWaalsContact O-N 3.11Å
188	K	94	Very high	93.9	Very high	162 Å²	162	105.4 Å²	105.4	70%	0.704	52%	0.522	S	S	*	.	H	α-helix	trans	-65.1	-41.5	174.3	-172	-178.9	179.6	-175.1	0	111.6	V184 A185 K186 K191 R192	V184-K188 WeakPolarHBondContact O-CB 3.42Å; V184-K188 PolarHBondContact O-N 2.81Å; A185-K188 PolarHBondContact O-N 3.07Å; K186-K188 VanDerWaalsContact C-N 3.35Å; K188-K191 PolarHBondContact O-N 2.91Å; K188-R192 PolarHBondContact O-N 3.36Å
189	E	93.5	Very high	93.9	Very high	83 Å²	83	104 Å²	104	39%	0.388	52%	0.518	S	S	.	.	H	α-helix	trans	-66.8	-41.2	178	-177.3	61.4	-175.3	0	0	112.3	A185 K186 K191 R192 L193	A185-E189 WeakPolarHBondContact O-CB 3.36Å; A185-E189 PolarHBondContact O-N 3.4Å; K186-E189 PolarHBondContact O-N 3.43Å; E189-K191 PolarHBondContact O-N 2.95Å; E189-R192 WeakPolarHBondContact O-CB 3.36Å; E189-R192 PolarHBondContact O-N 3.43Å; E189-R192 IonicContact OE1-CZ 2.75Å; E189-R192 IonicContact OE1-NE 2.8Å; E189-R192 PolarHBondContact OE1-NE 2.72Å; E189-R192 IonicContact OE1-NH2 3.65Å; E189-R192 PolarHBondContact OE1-NH2 3Å; E189-R192 IonicContact OE2-CZ 2.7Å; E189-R192 IonicContact OE2-NE 2.69Å; E189-R192 PolarHBondContact OE2-NE 2.86Å; E189-R192 IonicContact OE2-NH2 3.6Å; E189-L193 HydrophobicContact CG-CD1 4.27Å; E189-L193 WeakPolarHBondContact O-CG 3.27Å; E189-L193 PolarHBondContact O-N 3.48Å
190	L	91.8	Very high	93.8	Very high	104 Å²	104	104.9 Å²	104.9	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-58.2	-47.3	172.6	-77.5	171.6	0	0	0	111.3	K186 R192 L193 E194	K186-L190 WeakPolarHBondContact O-CB 3.46Å; K186-L190 WeakPolarHBondContact O-CG 3.48Å; K186-L190 PolarHBondContact O-N 3.28Å; L190-R192 VanDerWaalsContact C-N 3.28Å; L190-R192 PolarHBondContact O-N 3.19Å; L190-L193 PolarHBondContact O-N 3.4Å; L190-E194 WeakPolarHBondContact O-CB 3.37Å; L190-E194 VanDerWaalsContact O-CG 3.28Å; L190-E194 WeakPolarHBondContact O-CG 3.37Å; L190-E194 PolarHBondContact O-N 3Å
191	K	94.3	Very high	93.7	Very high	147 Å²	147	101.3 Å²	101.3	64%	0.639	51%	0.51	S	S	*	.	H	α-helix	trans	-60.9	-35.5	176.7	-73.5	-177.9	178.9	-173.6	0	113.2	S187 K188 E189 G195	S187-K191 WeakPolarHBondContact O-CG 3.43Å; S187-K191 PolarHBondContact O-N 2.89Å; S187-K191 VanDerWaalsContact O-N 3.11Å; K188-K191 PolarHBondContact O-N 2.91Å; E189-K191 PolarHBondContact O-N 2.95Å; K191-G195 PolarHBondContact O-N 2.87Å; K191-G195 VanDerWaalsContact O-N 3.1Å
192	R	93.7	Very high	93.7	Very high	106 Å²	106	100.2 Å²	100.2	40%	0.4	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-49.1	175.9	-174	-170.4	69.6	78.4	9	110.7	K188 E189 L190 G195 E196	K188-R192 PolarHBondContact O-N 3.36Å; E189-R192 WeakPolarHBondContact O-CB 3.36Å; E189-R192 PolarHBondContact O-N 3.43Å; E189-R192 IonicContact OE1-CZ 2.75Å; E189-R192 IonicContact OE1-NE 2.8Å; E189-R192 PolarHBondContact OE1-NE 2.72Å; E189-R192 IonicContact OE1-NH2 3.65Å; E189-R192 PolarHBondContact OE1-NH2 3Å; E189-R192 IonicContact OE2-CZ 2.7Å; E189-R192 IonicContact OE2-NE 2.69Å; E189-R192 PolarHBondContact OE2-NE 2.86Å; E189-R192 IonicContact OE2-NH2 3.6Å; L190-R192 VanDerWaalsContact C-N 3.28Å; L190-R192 PolarHBondContact O-N 3.19Å; R192-G195 PolarHBondContact O-N 3.37Å; R192-E196 IonicContact CZ-OE1 3.92Å; R192-E196 IonicContact CZ-OE2 2.93Å; R192-E196 IonicContact NH1-OE1 3.15Å; R192-E196 PolarHBondContact NH1-OE1 3.4Å; R192-E196 IonicContact NH1-OE2 3.08Å; R192-E196 PolarHBondContact NH1-OE2 3.35Å; R192-E196 IonicContact NH2-OE2 2.56Å; R192-E196 WeakPolarHBondContact O-CG 3.49Å; R192-E196 PolarHBondContact O-N 3.31Å
193	L	92.1	Very high	93.7	Very high	80 Å²	80	99.3 Å²	99.3	42%	0.419	50%	0.502	S	S	.	.	H	α-helix	trans	-65.5	-36.8	179.1	-71.8	172.4	0	0	0	112.5	E189 L190 E196 L197	E189-L193 HydrophobicContact CG-CD1 4.27Å; E189-L193 WeakPolarHBondContact O-CG 3.27Å; E189-L193 PolarHBondContact O-N 3.48Å; L190-L193 PolarHBondContact O-N 3.4Å; L193-E196 PolarHBondContact O-N 3.3Å; L193-L197 VanDerWaalsContact O-CB 3.28Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 3.34Å
194	E	94.3	Very high	93.8	Very high	111 Å²	111	101.5 Å²	101.5	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-59.7	-48.2	171.5	-75.8	170	168	0	0	110.7	L190 E196 L197 E198	L190-E194 WeakPolarHBondContact O-CB 3.37Å; L190-E194 VanDerWaalsContact O-CG 3.28Å; L190-E194 WeakPolarHBondContact O-CG 3.37Å; L190-E194 PolarHBondContact O-N 3Å; E194-E196 PolarHBondContact O-N 3.07Å; E194-L197 PolarHBondContact O-N 2.8Å; E194-E198 WeakPolarHBondContact O-CG 3.48Å; E194-E198 PolarHBondContact O-N 3.02Å
195	G	94.6	Very high	93.7	Very high	31 Å²	31	99.9 Å²	99.9	32%	0.32	49%	0.492	S	S	.	.	H	α-helix	trans	-63.9	-39	176.7	0	0	0	0	0	113.9	K191 R192 E198 E199	K191-G195 PolarHBondContact O-N 2.87Å; K191-G195 VanDerWaalsContact O-N 3.1Å; R192-G195 PolarHBondContact O-N 3.37Å; G195-E198 PolarHBondContact O-N 2.98Å; G195-E199 WeakPolarHBondContact O-CB 3.35Å; G195-E199 PolarHBondContact O-N 2.86Å
196	E	94.4	Very high	93.7	Very high	82 Å²	82	101.5 Å²	101.5	38%	0.383	49%	0.493	S	S	.	.	H	α-helix	trans	-67.2	-37.8	175.1	-75.8	173.8	-175	0	0	112.1	R192 L193 E194 E199 E200	R192-E196 IonicContact CZ-OE1 3.92Å; R192-E196 IonicContact CZ-OE2 2.93Å; R192-E196 IonicContact NH1-OE1 3.15Å; R192-E196 PolarHBondContact NH1-OE1 3.4Å; R192-E196 IonicContact NH1-OE2 3.08Å; R192-E196 PolarHBondContact NH1-OE2 3.35Å; R192-E196 IonicContact NH2-OE2 2.56Å; R192-E196 WeakPolarHBondContact O-CG 3.49Å; R192-E196 PolarHBondContact O-N 3.31Å; L193-E196 PolarHBondContact O-N 3.3Å; E194-E196 PolarHBondContact O-N 3.07Å; E196-E199 PolarHBondContact O-N 3.07Å; E196-E200 WeakPolarHBondContact O-CB 2.94Å; E196-E200 PolarHBondContact O-N 3.4Å
197	L	92.8	Very high	93.6	Very high	117 Å²	117	100.8 Å²	100.8	61%	0.613	50%	0.495	S	S	*	.	H	α-helix	trans	-65.8	-42.6	173.5	-179.4	64.6	0	0	0	111	L193 E194 E199 E200 T201	L193-L197 VanDerWaalsContact O-CB 3.28Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 3.34Å; E194-L197 PolarHBondContact O-N 2.8Å; L197-E199 VanDerWaalsContact C-N 3.32Å; L197-E199 PolarHBondContact O-N 3.26Å; L197-E200 PolarHBondContact O-N 2.91Å; L197-T201 HydrophobicContact CD1-CG2 4.13Å; L197-T201 HydrophobicContact CG-CG2 4.36Å; L197-T201 VanDerWaalsContact O-CB 3.3Å; L197-T201 WeakPolarHBondContact O-CB 3.46Å; L197-T201 WeakPolarHBondContact O-CG2 3.49Å; L197-T201 PolarHBondContact O-N 3.4Å; L197-T201 PolarHBondContact O-OG1 2.85Å
198	E	94.4	Very high	93.6	Very high	135 Å²	135	101.8 Å²	101.8	63%	0.631	49%	0.493	S	S	*	.	H	α-helix	trans	-59.5	-42.2	173.1	-74.3	174.4	-175.8	0	0	111.5	E194 G195 T201 L202	E194-E198 WeakPolarHBondContact O-CG 3.48Å; E194-E198 PolarHBondContact O-N 3.02Å; G195-E198 PolarHBondContact O-N 2.98Å; E198-T201 VanDerWaalsContact CA-OG1 3.31Å; E198-T201 WeakPolarHBondContact CA-OG1 3.3Å; E198-T201 PolarHBondContact O-OG1 3.3Å; E198-L202 WeakPolarHBondContact O-CB 3.45Å; E198-L202 PolarHBondContact O-N 2.98Å
199	E	94.7	Very high	93.5	Very high	107 Å²	107	98.6 Å²	98.6	50%	0.5	48%	0.484	S	S	.	.	H	α-helix	trans	-67.9	-45.6	178.4	-164.7	-171.7	147.8	0	0	112.3	G195 E196 L197 L202 K203	G195-E199 WeakPolarHBondContact O-CB 3.35Å; G195-E199 PolarHBondContact O-N 2.86Å; E196-E199 PolarHBondContact O-N 3.07Å; L197-E199 VanDerWaalsContact C-N 3.32Å; L197-E199 PolarHBondContact O-N 3.26Å; E199-L202 PolarHBondContact O-N 2.84Å; E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.27Å; E199-K203 WeakPolarHBondContact OE1-CE 3.48Å; E199-K203 IonicContact OE1-NZ 3.38Å; E199-K203 PolarHBondContact OE1-NZ 3.19Å
200	E	91.4	Very high	93.5	Very high	108 Å²	108	100.1 Å²	100.1	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-68.7	-34.9	178	-76.1	-56	134.4	0	0	112.3	E196 L197 L202 K203 R204	E196-E200 WeakPolarHBondContact O-CB 2.94Å; E196-E200 PolarHBondContact O-N 3.4Å; L197-E200 PolarHBondContact O-N 2.91Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-K203 WeakPolarHBondContact OE1-CD 2.72Å; E200-K203 IonicContact OE1-NZ 3.13Å; E200-K203 PolarHBondContact OE1-NZ 2.86Å; E200-R204 VanDerWaalsContact O-CB 3.26Å; E200-R204 WeakPolarHBondContact O-CB 3.15Å; E200-R204 PolarHBondContact O-N 3.33Å
201	T	92.7	Very high	93.5	Very high	66 Å²	66	99.3 Å²	99.3	41%	0.405	48%	0.484	S	S	.	.	H	α-helix	trans	-65.5	-38.4	172.3	52	0	0	0	0	111.6	L197 E198 R204 V205	L197-T201 HydrophobicContact CD1-CG2 4.13Å; L197-T201 HydrophobicContact CG-CG2 4.36Å; L197-T201 VanDerWaalsContact O-CB 3.3Å; L197-T201 WeakPolarHBondContact O-CB 3.46Å; L197-T201 WeakPolarHBondContact O-CG2 3.49Å; L197-T201 PolarHBondContact O-N 3.4Å; L197-T201 PolarHBondContact O-OG1 2.85Å; E198-T201 VanDerWaalsContact CA-OG1 3.31Å; E198-T201 WeakPolarHBondContact CA-OG1 3.3Å; E198-T201 PolarHBondContact O-OG1 3.3Å; T201-R204 PolarHBondContact O-N 3.34Å; T201-V205 VanDerWaalsContact O-CG2 3.28Å; T201-V205 WeakPolarHBondContact O-CG2 3.28Å; T201-V205 PolarHBondContact O-N 3.47Å
202	L	93.8	Very high	93.5	Very high	110 Å²	110	95.6 Å²	95.6	58%	0.576	47%	0.474	S	S	*	.	H	α-helix	trans	-65.3	-48	174.7	-163.3	122.1	0	0	0	112	E198 E199 E200 R204 V205 D206	E198-L202 WeakPolarHBondContact O-CB 3.45Å; E198-L202 PolarHBondContact O-N 2.98Å; E199-L202 PolarHBondContact O-N 2.84Å; E200-L202 VanDerWaalsContact C-N 3.34Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.8Å; L202-V205 PolarHBondContact O-N 3.43Å; L202-D206 PolarHBondContact O-N 2.99Å
203	K	94.6	Very high	93.4	Very high	81 Å²	81	93.3 Å²	93.3	35%	0.352	48%	0.475	S	S	.	.	H	α-helix	trans	-58.9	-42	175	-71.9	173.7	-168.5	157	0	112.1	E199 E200 D206 L207	E199-K203 WeakPolarHBondContact O-CG 3.37Å; E199-K203 PolarHBondContact O-N 3.27Å; E199-K203 WeakPolarHBondContact OE1-CE 3.48Å; E199-K203 IonicContact OE1-NZ 3.38Å; E199-K203 PolarHBondContact OE1-NZ 3.19Å; E200-K203 WeakPolarHBondContact OE1-CD 2.72Å; E200-K203 IonicContact OE1-NZ 3.13Å; E200-K203 PolarHBondContact OE1-NZ 2.86Å; K203-D206 PolarHBondContact O-N 3.11Å; K203-L207 WeakPolarHBondContact O-CB 3.39Å; K203-L207 VanDerWaalsContact O-CG 3.31Å; K203-L207 WeakPolarHBondContact O-CG 3.38Å; K203-L207 PolarHBondContact O-N 3.34Å
204	R	94	Very high	93.4	Very high	153 Å²	153	94.1 Å²	94.1	58%	0.577	48%	0.479	S	S	*	.	H	α-helix	trans	-61	-46.2	176.3	179.1	-179.6	162.4	-118.4	-13.3	110.9	E200 T201 L202 L207 E208	E200-R204 VanDerWaalsContact O-CB 3.26Å; E200-R204 WeakPolarHBondContact O-CB 3.15Å; E200-R204 PolarHBondContact O-N 3.33Å; T201-R204 PolarHBondContact O-N 3.34Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.8Å; R204-L207 PolarHBondContact O-N 3.01Å; R204-E208 HydrophobicContact CG-CG 4.42Å; R204-E208 IonicContact CZ-OE1 3.81Å; R204-E208 IonicContact NE-OE1 3.71Å; R204-E208 PolarHBondContact NE-OE1 3.12Å; R204-E208 IonicContact NH2-OE1 3.43Å; R204-E208 PolarHBondContact NH2-OE1 3.5Å; R204-E208 IonicContact NH2-OE2 3.99Å; R204-E208 WeakPolarHBondContact O-CB 3.43Å; R204-E208 VanDerWaalsContact O-CG 3.28Å; R204-E208 WeakPolarHBondContact O-CG 3.42Å; R204-E208 PolarHBondContact O-N 2.8Å
205	V	95.2	Very high	93.3	Very high	70 Å²	70	95.2 Å²	95.2	42%	0.424	48%	0.482	S	S	.	.	H	α-helix	trans	-62	-42.9	177.2	169.7	0	0	0	0	111.1	T201 L202 E208 N209	T201-V205 VanDerWaalsContact O-CG2 3.28Å; T201-V205 WeakPolarHBondContact O-CG2 3.28Å; T201-V205 PolarHBondContact O-N 3.47Å; L202-V205 PolarHBondContact O-N 3.43Å; V205-E208 PolarHBondContact O-N 3.15Å; V205-N209 WeakPolarHBondContact O-CB 3.48Å; V205-N209 PolarHBondContact O-N 3.03Å; V205-N209 PolarHBondContact O-ND2 3.42Å
206	D	92.8	Very high	93.1	Very high	91 Å²	91	98.7 Å²	98.7	49%	0.487	49%	0.493	S	S	.	.	H	α-helix	trans	-63.5	-42.7	177.3	-74.3	-21.5	0	0	0	112.6	L202 K203 N209 K210	L202-D206 PolarHBondContact O-N 2.99Å; K203-D206 PolarHBondContact O-N 3.11Å; D206-N209 PolarHBondContact O-N 3.47Å; D206-K210 WeakPolarHBondContact O-CB 3.31Å; D206-K210 PolarHBondContact O-N 2.89Å
207	L	92	Very high	93	Very high	114 Å²	114	99.1 Å²	99.1	60%	0.597	50%	0.495	S	S	*	.	H	α-helix	trans	-67.5	-39.5	175.9	-72.3	173.9	0	0	0	111.9	K203 R204 K210 I211	K203-L207 WeakPolarHBondContact O-CB 3.39Å; K203-L207 VanDerWaalsContact O-CG 3.31Å; K203-L207 WeakPolarHBondContact O-CG 3.38Å; K203-L207 PolarHBondContact O-N 3.34Å; R204-L207 PolarHBondContact O-N 3.01Å; L207-K210 PolarHBondContact O-N 2.92Å; L207-I211 WeakPolarHBondContact O-CB 3.49Å; L207-I211 VanDerWaalsContact O-CG1 3.23Å; L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 3.44Å
208	E	93.8	Very high	92.8	Very high	80 Å²	80	97.6 Å²	97.6	37%	0.374	49%	0.487	S	S	.	.	H	α-helix	trans	-61.5	-44.7	174	-77.4	176.8	178.3	0	0	111	R204 V205 K210 I211 T212	R204-E208 HydrophobicContact CG-CG 4.42Å; R204-E208 IonicContact CZ-OE1 3.81Å; R204-E208 IonicContact NE-OE1 3.71Å; R204-E208 PolarHBondContact NE-OE1 3.12Å; R204-E208 IonicContact NH2-OE1 3.43Å; R204-E208 PolarHBondContact NH2-OE1 3.5Å; R204-E208 IonicContact NH2-OE2 3.99Å; R204-E208 WeakPolarHBondContact O-CB 3.43Å; R204-E208 VanDerWaalsContact O-CG 3.28Å; R204-E208 WeakPolarHBondContact O-CG 3.42Å; R204-E208 PolarHBondContact O-N 2.8Å; V205-E208 PolarHBondContact O-N 3.15Å; E208-K210 VanDerWaalsContact C-N 3.32Å; E208-K210 PolarHBondContact O-N 3.04Å; E208-I211 PolarHBondContact O-N 2.9Å; E208-T212 WeakPolarHBondContact O-CG2 3.35Å; E208-T212 PolarHBondContact O-N 3.24Å; E208-T212 PolarHBondContact O-OG1 3.4Å
209	N	92	Very high	92.7	Very high	95 Å²	95	93.7 Å²	93.7	51%	0.508	47%	0.474	S	S	.	.	H	α-helix	trans	-62.9	-36.5	173.9	-71.3	-27.5	0	0	0	112.4	V205 D206 T212 S213	V205-N209 WeakPolarHBondContact O-CB 3.48Å; V205-N209 PolarHBondContact O-N 3.03Å; V205-N209 PolarHBondContact O-ND2 3.42Å; D206-N209 PolarHBondContact O-N 3.47Å; N209-T212 WeakPolarHBondContact CA-OG1 3.49Å; N209-T212 PolarHBondContact O-OG1 2.64Å; N209-S213 WeakPolarHBondContact O-CB 3.39Å; N209-S213 PolarHBondContact O-N 2.93Å
210	K	94	Very high	92.6	Very high	115 Å²	115	94.2 Å²	94.2	50%	0.5	48%	0.475	S	S	.	.	H	α-helix	trans	-70.2	-38.7	175.7	-172.2	58.6	178.7	175.4	0	111.7	D206 L207 E208 S213 L214	D206-K210 WeakPolarHBondContact O-CB 3.31Å; D206-K210 PolarHBondContact O-N 2.89Å; L207-K210 PolarHBondContact O-N 2.92Å; E208-K210 VanDerWaalsContact C-N 3.32Å; E208-K210 PolarHBondContact O-N 3.04Å; K210-S213 PolarHBondContact O-N 3.34Å; K210-L214 HydrophobicContact CD-CG 4.42Å; K210-L214 HydrophobicContact CG-CD1 4.13Å; K210-L214 HydrophobicContact CG-CG 4.47Å; K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 VanDerWaalsContact O-CG 3.28Å; K210-L214 WeakPolarHBondContact O-CG 3.42Å; K210-L214 PolarHBondContact O-N 3.29Å
211	I	92.4	Very high	92.6	Very high	86 Å²	86	92.8 Å²	92.8	44%	0.441	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-43.2	175.8	-73	165.7	0	0	0	110.6	L207 E208 L214 K215	L207-I211 WeakPolarHBondContact O-CB 3.49Å; L207-I211 VanDerWaalsContact O-CG1 3.23Å; L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 3.44Å; E208-I211 PolarHBondContact O-N 2.9Å; I211-L214 PolarHBondContact O-N 3.3Å; I211-K215 HydrophobicContact CG2-CD 4Å; I211-K215 HydrophobicContact CG2-CG 4.41Å; I211-K215 WeakPolarHBondContact O-CB 3.42Å; I211-K215 VanDerWaalsContact O-CG 3.25Å; I211-K215 WeakPolarHBondContact O-CG 3.26Å; I211-K215 PolarHBondContact O-N 3.14Å
212	T	93.4	Very high	92.4	Very high	69 Å²	69	95.7 Å²	95.7	42%	0.423	48%	0.476	S	S	.	.	H	α-helix	trans	-64.1	-48	176.2	52.1	0	0	0	0	110.9	E208 N209 L214 K215 D216	E208-T212 WeakPolarHBondContact O-CG2 3.35Å; E208-T212 PolarHBondContact O-N 3.24Å; E208-T212 PolarHBondContact O-OG1 3.4Å; N209-T212 WeakPolarHBondContact CA-OG1 3.49Å; N209-T212 PolarHBondContact O-OG1 2.64Å; T212-L214 VanDerWaalsContact C-N 3.31Å; T212-L214 PolarHBondContact O-N 2.87Å; T212-K215 WeakPolarHBondContact O-CB 3.29Å; T212-K215 PolarHBondContact O-N 3.33Å; T212-K215 VanDerWaalsContact O-N 3.08Å; T212-D216 VanDerWaalsContact O-CG 3.26Å; T212-D216 PolarHBondContact O-N 3.31Å
213	S	92.5	Very high	92.1	Very high	59 Å²	59	96.3 Å²	96.3	41%	0.413	48%	0.476	S	S	.	.	H	α-helix	trans	-56.1	-42.1	174.7	172	0	0	0	0	113	N209 K210 D216 E217	N209-S213 WeakPolarHBondContact O-CB 3.39Å; N209-S213 PolarHBondContact O-N 2.93Å; K210-S213 PolarHBondContact O-N 3.34Å; S213-D216 PolarHBondContact O-N 3Å; S213-E217 WeakPolarHBondContact O-CB 3.46Å; S213-E217 PolarHBondContact O-N 2.99Å
214	L	92.4	Very high	91.8	Very high	96 Å²	96	95.8 Å²	95.8	50%	0.503	48%	0.476	S	S	.	.	H	α-helix	trans	-71.6	-33	177	-73.3	173.3	0	0	0	112.9	K210 I211 T212 L218	K210-L214 HydrophobicContact CD-CG 4.42Å; K210-L214 HydrophobicContact CG-CD1 4.13Å; K210-L214 HydrophobicContact CG-CG 4.47Å; K210-L214 WeakPolarHBondContact O-CB 3.45Å; K210-L214 VanDerWaalsContact O-CG 3.28Å; K210-L214 WeakPolarHBondContact O-CG 3.42Å; K210-L214 PolarHBondContact O-N 3.29Å; I211-L214 PolarHBondContact O-N 3.3Å; T212-L214 VanDerWaalsContact C-N 3.31Å; T212-L214 PolarHBondContact O-N 2.87Å; L214-L218 VanDerWaalsContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CB 3.42Å; L214-L218 PolarHBondContact O-N 2.89Å
215	K	91.7	Very high	91.2	Very high	135 Å²	135	93.7 Å²	93.7	59%	0.587	47%	0.472	S	S	*	.	H	α-helix	trans	-66	-41.8	172.9	-79.1	173.5	178.3	177.4	0	110.9	I211 T212 L218 S219	I211-K215 HydrophobicContact CG2-CD 4Å; I211-K215 HydrophobicContact CG2-CG 4.41Å; I211-K215 WeakPolarHBondContact O-CB 3.42Å; I211-K215 VanDerWaalsContact O-CG 3.25Å; I211-K215 WeakPolarHBondContact O-CG 3.26Å; I211-K215 PolarHBondContact O-N 3.14Å; T212-K215 WeakPolarHBondContact O-CB 3.29Å; T212-K215 PolarHBondContact O-N 3.33Å; T212-K215 VanDerWaalsContact O-N 3.08Å; K215-L218 PolarHBondContact O-N 3.22Å; K215-S219 WeakPolarHBondContact O-CB 3.42Å; K215-S219 PolarHBondContact O-N 3.02Å
216	D	89.7	Confident	90.9	Very high	103 Å²	103	96.4 Å²	96.4	55%	0.551	48%	0.48	S	S	*	.	H	α-helix	trans	-64.9	-46.3	177.1	-64.9	-19.2	0	0	0	110.2	T212 S213 L218 S219 F220	T212-D216 VanDerWaalsContact O-CG 3.26Å; T212-D216 PolarHBondContact O-N 3.31Å; S213-D216 PolarHBondContact O-N 3Å; D216-L218 PolarHBondContact O-N 2.84Å; D216-S219 PolarHBondContact O-N 3.41Å; D216-S219 PolarHBondContact O-OG 2.7Å; D216-F220 WeakPolarHBondContact O-CB 3.32Å; D216-F220 PolarHBondContact O-N 3.14Å
217	E	92	Very high	90.1	Very high	91 Å²	91	98 Å²	98	43%	0.425	48%	0.484	S	S	.	.	H	α-helix	trans	-59.4	-45.5	174.4	-178	60.3	-147.3	0	0	112.2	S213 S219 F220 Q221	S213-E217 WeakPolarHBondContact O-CB 3.46Å; S213-E217 PolarHBondContact O-N 2.99Å; E217-S219 VanDerWaalsContact C-N 3.31Å; E217-S219 PolarHBondContact O-N 2.94Å; E217-F220 WeakPolarHBondContact O-CB 3.16Å; E217-F220 PolarHBondContact O-N 3.34Å; E217-Q221 WeakPolarHBondContact O-CG 3.35Å; E217-Q221 PolarHBondContact O-N 3.1Å; E217-Q221 PolarHBondContact OE1-NE2 2.99Å
218	L	89.7	Confident	89.4	Confident	85 Å²	85	97 Å²	97	45%	0.445	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-39.4	176.8	-175.3	73	0	0	0	111.4	L214 K215 D216 F220 K222	L214-L218 VanDerWaalsContact O-CB 3.27Å; L214-L218 WeakPolarHBondContact O-CB 3.42Å; L214-L218 PolarHBondContact O-N 2.89Å; K215-L218 PolarHBondContact O-N 3.22Å; D216-L218 PolarHBondContact O-N 2.84Å; L218-F220 VanDerWaalsContact C-N 3.32Å; L218-K222 HydrophobicContact CG-CD 4.33Å; L218-K222 WeakPolarHBondContact O-CB 3.29Å; L218-K222 VanDerWaalsContact O-CG 3.24Å; L218-K222 WeakPolarHBondContact O-CG 3.44Å; L218-K222 PolarHBondContact O-N 3.41Å
219	S	92.7	Very high	88.6	Confident	53 Å²	53	97.2 Å²	97.2	37%	0.371	48%	0.48	S	S	.	.	H	α-helix	trans	-65	-39	177	81.1	0	0	0	0	111.5	K215 D216 E217 Q223	K215-S219 WeakPolarHBondContact O-CB 3.42Å; K215-S219 PolarHBondContact O-N 3.02Å; D216-S219 PolarHBondContact O-N 3.41Å; D216-S219 PolarHBondContact O-OG 2.7Å; E217-S219 VanDerWaalsContact C-N 3.31Å; E217-S219 PolarHBondContact O-N 2.94Å; S219-Q223 WeakPolarHBondContact O-CG 3.21Å; S219-Q223 PolarHBondContact O-N 3.45Å; S219-Q223 VanDerWaalsContact O-N 3.07Å
220	F	91.2	Very high	87.8	Confident	119 Å²	119	96.7 Å²	96.7	52%	0.522	48%	0.48	S	S	.	.	H	α-helix	trans	-66.3	-48.4	175.7	178	-103.4	0	0	0	111.5	D216 E217 L218 K222 Q223 L224	D216-F220 WeakPolarHBondContact O-CB 3.32Å; D216-F220 PolarHBondContact O-N 3.14Å; E217-F220 WeakPolarHBondContact O-CB 3.16Å; E217-F220 PolarHBondContact O-N 3.34Å; L218-F220 VanDerWaalsContact C-N 3.32Å; F220-K222 VanDerWaalsContact C-N 3.33Å; F220-K222 PolarHBondContact O-N 3.39Å; F220-Q223 WeakPolarHBondContact O-CB 3.38Å; F220-Q223 PolarHBondContact O-N 2.98Å; F220-Q223 VanDerWaalsContact O-N 3.14Å; F220-L224 PolarHBondContact O-N 3.11Å
221	Q	91.8	Very high	86.5	Confident	78 Å²	78	96.8 Å²	96.8	36%	0.364	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-40.5	176.8	-72.6	-180	6.5	0	0	112.3	E217 Q223 L224 F225	E217-Q221 WeakPolarHBondContact O-CG 3.35Å; E217-Q221 PolarHBondContact O-N 3.1Å; E217-Q221 PolarHBondContact OE1-NE2 2.99Å; Q221-Q223 VanDerWaalsContact C-N 3.33Å; Q221-Q223 PolarHBondContact O-N 3.44Å; Q221-L224 PolarHBondContact O-N 3.05Å; Q221-F225 HydrophobicContact CB-CD2 4.5Å; Q221-F225 HydrophobicContact CB-CE2 4.22Å; Q221-F225 WeakPolarHBondContact O-CD2 3.46Å; Q221-F225 WeakPolarHBondContact O-CG 3.25Å; Q221-F225 PolarHBondContact O-N 2.91Å
222	K	88.8	Confident	85.3	Confident	127 Å²	127	96 Å²	96	55%	0.552	48%	0.481	S	S	*	.	H	α-helix	trans	-59.2	-45.1	174	-78.9	175.1	178	-178.9	0	111.4	L218 F220 F225 E226	L218-K222 HydrophobicContact CG-CD 4.33Å; L218-K222 WeakPolarHBondContact O-CB 3.29Å; L218-K222 VanDerWaalsContact O-CG 3.24Å; L218-K222 WeakPolarHBondContact O-CG 3.44Å; L218-K222 PolarHBondContact O-N 3.41Å; F220-K222 VanDerWaalsContact C-N 3.33Å; F220-K222 PolarHBondContact O-N 3.39Å; K222-F225 PolarHBondContact O-N 2.93Å; K222-E226 WeakPolarHBondContact O-CB 3.48Å; K222-E226 PolarHBondContact O-N 3.16Å
223	Q	86.5	Confident	84.3	Confident	123 Å²	123	100.7 Å²	100.7	58%	0.575	49%	0.491	S	S	*	.	H	α-helix	trans	-64.1	-40.3	177.2	-72.7	174.5	7.8	0	0	112.1	S219 F220 Q221 E226 Q227	S219-Q223 WeakPolarHBondContact O-CG 3.21Å; S219-Q223 PolarHBondContact O-N 3.45Å; S219-Q223 VanDerWaalsContact O-N 3.07Å; F220-Q223 WeakPolarHBondContact O-CB 3.38Å; F220-Q223 PolarHBondContact O-N 2.98Å; F220-Q223 VanDerWaalsContact O-N 3.14Å; Q221-Q223 VanDerWaalsContact C-N 3.33Å; Q221-Q223 PolarHBondContact O-N 3.44Å; Q223-E226 PolarHBondContact O-N 3.46Å; Q223-Q227 WeakPolarHBondContact O-CG 3.37Å; Q223-Q227 PolarHBondContact O-N 2.89Å
224	L	89	Confident	82.7	Confident	70 Å²	70	102 Å²	102	37%	0.366	50%	0.5	S	S	.	.	H	α-helix	trans	-61.9	-49.7	176.2	-172.1	73.7	0	0	0	111.1	F220 Q221 E226 Q227 E228	F220-L224 PolarHBondContact O-N 3.11Å; Q221-L224 PolarHBondContact O-N 3.05Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 2.97Å; L224-Q227 WeakPolarHBondContact O-CB 3.46Å; L224-Q227 PolarHBondContact O-N 2.82Å; L224-E228 WeakPolarHBondContact O-CG 3.47Å; L224-E228 PolarHBondContact O-N 2.56Å
225	F	81.4	Confident	80.9	Confident	109 Å²	109	104.4 Å²	104.4	48%	0.478	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-35.3	178.7	-67.8	-45.2	0	0	0	112.7	Q221 K222 Q227 E228 L229	Q221-F225 HydrophobicContact CB-CD2 4.5Å; Q221-F225 HydrophobicContact CB-CE2 4.22Å; Q221-F225 WeakPolarHBondContact O-CD2 3.46Å; Q221-F225 WeakPolarHBondContact O-CG 3.25Å; Q221-F225 PolarHBondContact O-N 2.91Å; K222-F225 PolarHBondContact O-N 2.93Å; F225-Q227 VanDerWaalsContact C-N 3.31Å; F225-Q227 PolarHBondContact O-N 2.87Å; F225-E228 WeakPolarHBondContact CD1-OE2 3.48Å; F225-E228 PolarHBondContact O-N 2.97Å; F225-L229 WeakPolarHBondContact O-CB 3.48Å; F225-L229 WeakPolarHBondContact O-CG 3.33Å; F225-L229 PolarHBondContact O-N 2.76Å
226	E	88.4	Confident	78.9	Confident	127 Å²	127	106.8 Å²	106.8	59%	0.593	51%	0.512	S	S	*	.	H	α-helix	trans	-62.1	-41.4	174.1	-158.2	89.3	-136	0	0	111	K222 Q223 L224 T230	K222-E226 WeakPolarHBondContact O-CB 3.48Å; K222-E226 PolarHBondContact O-N 3.16Å; Q223-E226 PolarHBondContact O-N 3.46Å; L224-E226 VanDerWaalsContact C-N 3.33Å; L224-E226 PolarHBondContact O-N 2.97Å; E226-T230 VanDerWaalsContact O-CG2 3.31Å; E226-T230 WeakPolarHBondContact O-CG2 3.38Å; E226-T230 PolarHBondContact O-N 2.9Å; E226-T230 PolarHBondContact O-OG1 2.78Å
227	Q	76.4	Confident	76.9	Confident	124 Å²	124	110 Å²	110	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-66.8	-45.2	174.6	-72.6	-179	-3.5	0	0	112	Q223 L224 F225 L229 T230 E231	Q223-Q227 WeakPolarHBondContact O-CG 3.37Å; Q223-Q227 PolarHBondContact O-N 2.89Å; L224-Q227 WeakPolarHBondContact O-CB 3.46Å; L224-Q227 PolarHBondContact O-N 2.82Å; F225-Q227 VanDerWaalsContact C-N 3.31Å; F225-Q227 PolarHBondContact O-N 2.87Å; Q227-L229 VanDerWaalsContact C-N 3.35Å; Q227-L229 PolarHBondContact O-N 2.85Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.45Å; Q227-T230 PolarHBondContact O-N 3.26Å; Q227-T230 PolarHBondContact O-OG1 3.11Å; Q227-E231 PolarHBondContact O-N 3.02Å; Q227-E231 VanDerWaalsContact O-N 3.08Å
228	E	77.4	Confident	74.7	Confident	93 Å²	93	111.8 Å²	111.8	44%	0.435	54%	0.541	S	S	.	.	H	α-helix	trans	-63.7	-40.8	177.3	-71	179.7	168.1	0	0	112	L224 F225 E231 V232	L224-E228 WeakPolarHBondContact O-CG 3.47Å; L224-E228 PolarHBondContact O-N 2.56Å; F225-E228 WeakPolarHBondContact CD1-OE2 3.48Å; F225-E228 PolarHBondContact O-N 2.97Å; E228-E231 PolarHBondContact O-N 2.92Å; E228-V232 WeakPolarHBondContact O-CB 3.49Å; E228-V232 VanDerWaalsContact O-CG2 3.3Å; E228-V232 WeakPolarHBondContact O-CG2 3.36Å; E228-V232 PolarHBondContact O-N 3.04Å
229	L	76.3	Confident	72.4	Confident	84 Å²	84	113.9 Å²	113.9	44%	0.44	56%	0.557	S	S	.	*	H	α-helix	trans	-66.9	-38.1	177.7	-75	172.2	0	0	0	112	F225 Q227 E231 V232 R233	F225-L229 WeakPolarHBondContact O-CB 3.48Å; F225-L229 WeakPolarHBondContact O-CG 3.33Å; F225-L229 PolarHBondContact O-N 2.76Å; Q227-L229 VanDerWaalsContact C-N 3.35Å; Q227-L229 PolarHBondContact O-N 2.85Å; L229-E231 VanDerWaalsContact C-N 3.34Å; L229-V232 PolarHBondContact O-N 3.27Å; L229-R233 VanDerWaalsContact O-CB 3.29Å; L229-R233 WeakPolarHBondContact O-CB 3.48Å; L229-R233 WeakPolarHBondContact O-CG 3.46Å; L229-R233 PolarHBondContact O-N 3.49Å
230	T	75.7	Confident	70.3	Confident	84 Å²	84	114.2 Å²	114.2	52%	0.515	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-38	174.8	48.7	0	0	0	0	111.5	E226 Q227 S234	E226-T230 VanDerWaalsContact O-CG2 3.31Å; E226-T230 WeakPolarHBondContact O-CG2 3.38Å; E226-T230 PolarHBondContact O-N 2.9Å; E226-T230 PolarHBondContact O-OG1 2.78Å; Q227-T230 WeakPolarHBondContact CA-OG1 3.45Å; Q227-T230 PolarHBondContact O-N 3.26Å; Q227-T230 PolarHBondContact O-OG1 3.11Å; T230-S234 PolarHBondContact O-N 3.32Å
231	E	67.7	Low	68.2	Low	118 Å²	118	113.5 Å²	113.5	55%	0.551	57%	0.573	S	S	*	*	H	α-helix	trans	-68	-41.1	174.5	-71.7	-169.4	-174.2	0	0	113.6	Q227 E228 L229 K235	Q227-E231 PolarHBondContact O-N 3.02Å; Q227-E231 VanDerWaalsContact O-N 3.08Å; E228-E231 PolarHBondContact O-N 2.92Å; L229-E231 VanDerWaalsContact C-N 3.34Å; E231-K235 PolarHBondContact O-N 2.95Å
232	V	66.6	Low	65.9	Low	69 Å²	69	118.1 Å²	118.1	42%	0.418	59%	0.594	S	S	.	*	H	α-helix	trans	-72.2	-36.8	-179.6	172.2	0	0	0	0	111.6	E228 L229 S234 K235 R236	E228-V232 WeakPolarHBondContact O-CB 3.49Å; E228-V232 VanDerWaalsContact O-CG2 3.3Å; E228-V232 WeakPolarHBondContact O-CG2 3.36Å; E228-V232 PolarHBondContact O-N 3.04Å; L229-V232 PolarHBondContact O-N 3.27Å; V232-S234 VanDerWaalsContact C-N 3.35Å; V232-K235 PolarHBondContact O-N 3.42Å; V232-R236 PolarHBondContact O-N 3.35Å
233	R	72.4	Confident	64	Low	167 Å²	167	118.7 Å²	118.7	63%	0.63	61%	0.608	S	S	*	*	H	α-helix	trans	-62.5	-42.3	174.7	-75.2	172.8	-176.2	-179.7	4.5	111.2	L229 K235 R236 E237	L229-R233 VanDerWaalsContact O-CB 3.29Å; L229-R233 WeakPolarHBondContact O-CB 3.48Å; L229-R233 WeakPolarHBondContact O-CG 3.46Å; L229-R233 PolarHBondContact O-N 3.49Å; R233-K235 VanDerWaalsContact C-N 3.3Å; R233-K235 PolarHBondContact O-N 3.17Å; R233-R236 PolarHBondContact O-N 3.49Å; R233-E237 PolarHBondContact O-N 3.44Å
234	S	59	Low	62.5	Low	87 Å²	87	115.8 Å²	115.8	61%	0.608	60%	0.601	S	S	*	*	H	α-helix	trans	-57.7	-39.2	173.1	165.3	0	0	0	0	112.8	T230 V232	T230-S234 PolarHBondContact O-N 3.32Å; V232-S234 VanDerWaalsContact C-N 3.35Å
235	K	54.5	Low	60.9	Low	146 Å²	146	118.3 Å²	118.3	64%	0.635	61%	0.611	S	S	*	*	H	α-helix	trans	-77.5	-27.4	-179.2	-70.3	170.3	-176.3	161.7	0	114	E231 V232 R233	E231-K235 PolarHBondContact O-N 2.95Å; V232-K235 PolarHBondContact O-N 3.42Å; R233-K235 VanDerWaalsContact C-N 3.3Å; R233-K235 PolarHBondContact O-N 3.17Å
236	R	49.6	Very low	59.8	Low	185 Å²	185	121.7 Å²	121.7	70%	0.698	63%	0.626	S	S	*	*	H	α-helix	trans	-90.2	-19.3	-175.1	-83.5	-172.1	173.6	-168	0.1	115.2	V232 R233 V238 V239	V232-R236 PolarHBondContact O-N 3.35Å; R233-R236 PolarHBondContact O-N 3.49Å; R236-V238 PolarHBondContact O-N 3.49Å; R236-V238 VanDerWaalsContact O-N 3.14Å; R236-V239 PolarHBondContact O-N 3.45Å
237	E	47.1	Very low	58.6	Low	172 Å²	172	120.8 Å²	120.8	80%	0.804	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-20.6	-179.9	-167.6	165.7	-175.2	0	0	113.2	R233	R233-E237 PolarHBondContact O-N 3.44Å
238	V	46	Very low	58.3	Low	128 Å²	128	117.8 Å²	117.8	78%	0.776	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-20.7	-176.3	178.5	0	0	0	0	114.8	R236	R236-V238 PolarHBondContact O-N 3.49Å; R236-V238 VanDerWaalsContact O-N 3.14Å
239	V	42.3	Very low	57.9	Low	128 Å²	128	116.9 Å²	116.9	78%	0.776	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.3	-15.5	-165.8	-177.1	0	0	0	0	115.1	R236	R236-V239 PolarHBondContact O-N 3.45Å
240	A	47.5	Very low	57.9	Low	61 Å²	61	119 Å²	119	50%	0.504	62%	0.621	S	S	.	*			trans	-104.2	15	-167.2	0	0	0	0	0	116.2
241	S	47.5	Very low	57.9	Low	104 Å²	104	122.8 Å²	122.8	73%	0.727	63%	0.626	S	S	*	*	S	Bend	trans	-72	-29	-171.5	-173.4	0	0	0	0	115.5
242	E	44.8	Very low	58.6	Low	174 Å²	174	123.8 Å²	123.8	81%	0.813	63%	0.629	S	S	*	*	S	Bend	trans	-128.2	-12.6	-161.9	-65.3	-170.4	163.1	0	0	118.3
243	V	47.5	Very low	59.4	Low	139 Å²	139	126.4 Å²	126.4	84%	0.842	64%	0.637	S	S	*	*	S	Bend	trans	-118.5	-12.8	-179.1	-172.6	0	0	0	0	114.1
244	S	54.6	Low	60.1	Low	63 Å²	63	125.6 Å²	125.6	44%	0.441	64%	0.638	S	S	.	*	S	Bend	trans	-76.2	-24.6	-179.9	-166.4	0	0	0	0	114.1	K246 T248	S244-K246 PolarHBondContact O-N 2.94Å; S244-T248 VanDerWaalsContact O-CB 3.26Å; S244-T248 WeakPolarHBondContact O-CB 3.2Å; S244-T248 PolarHBondContact O-N 3.42Å; S244-T248 VanDerWaalsContact O-N 3.11Å; S244-T248 PolarHBondContact O-OG1 3.2Å; S244-T248 PolarHBondContact OG-OG1 3.41Å
245	Q	56.9	Low	61.5	Low	123 Å²	123	126.6 Å²	126.6	58%	0.575	64%	0.636	S	S	*	*	H	α-helix	trans	-62.9	-47.5	-164.2	-163.2	65.8	31.9	0	0	113.3	L247 T248 D249	Q245-L247 PolarHBondContact O-N 3Å; Q245-T248 PolarHBondContact O-N 3.5Å; Q245-D249 PolarHBondContact O-N 3.1Å; Q245-D249 VanDerWaalsContact O-OD2 3.12Å
246	K	57	Low	63.2	Low	180 Å²	180	123.6 Å²	123.6	78%	0.783	62%	0.624	S	S	*	*	H	α-helix	trans	-72.9	-31.5	-171.2	-66.5	-176.9	-179.6	177.6	0	114.7	S244	S244-K246 PolarHBondContact O-N 2.94Å
247	L	63	Low	65.1	Low	107 Å²	107	119.6 Å²	119.6	56%	0.56	61%	0.613	S	S	*	*	H	α-helix	trans	-81.5	-33.1	175.3	-169.5	62.5	0	0	0	111	Q245 D249 Q250 Y251	Q245-L247 PolarHBondContact O-N 3Å; L247-D249 VanDerWaalsContact C-N 3.27Å; L247-D249 PolarHBondContact O-N 2.83Å; L247-Q250 PolarHBondContact O-N 3.34Å; L247-Y251 HydrophobicContact CD1-CD2 4.26Å; L247-Y251 HydrophobicContact CD1-CE2 3.83Å; L247-Y251 HydrophobicContact CD2-CE2 4.39Å; L247-Y251 HydrophobicContact CG-CD2 4.08Å; L247-Y251 HydrophobicContact CG-CE2 3.88Å; L247-Y251 WeakPolarHBondContact O-CD2 3.24Å; L247-Y251 PolarHBondContact O-N 3Å
248	T	70.3	Confident	67.3	Low	62 Å²	62	116.3 Å²	116.3	38%	0.38	60%	0.598	S	S	.	*	H	α-helix	trans	-59.4	-40.9	172.8	-56.9	0	0	0	0	110.9	S244 Q245 Q250 Y251 K252	S244-T248 VanDerWaalsContact O-CB 3.26Å; S244-T248 WeakPolarHBondContact O-CB 3.2Å; S244-T248 PolarHBondContact O-N 3.42Å; S244-T248 VanDerWaalsContact O-N 3.11Å; S244-T248 PolarHBondContact O-OG1 3.2Å; S244-T248 PolarHBondContact OG-OG1 3.41Å; Q245-T248 PolarHBondContact O-N 3.5Å; T248-Q250 PolarHBondContact O-N 2.85Å; T248-Y251 PolarHBondContact O-N 2.98Å; T248-K252 WeakPolarHBondContact O-CB 3.34Å; T248-K252 PolarHBondContact O-N 2.8Å
249	D	70.7	Confident	69.5	Low	73 Å²	73	113.6 Å²	113.6	39%	0.39	58%	0.579	S	S	.	*	H	α-helix	trans	-63.8	-38.1	-177.5	-66.1	-26.8	0	0	0	113.1	Q245 L247 K252 Q253	Q245-D249 PolarHBondContact O-N 3.1Å; Q245-D249 VanDerWaalsContact O-OD2 3.12Å; L247-D249 VanDerWaalsContact C-N 3.27Å; L247-D249 PolarHBondContact O-N 2.83Å; D249-K252 PolarHBondContact O-N 2.76Å; D249-Q253 PolarHBondContact O-N 2.68Å
250	Q	74.7	Confident	71.9	Confident	130 Å²	130	110.4 Å²	110.4	61%	0.607	56%	0.557	S	S	*	*	H	α-helix	trans	-71.7	-42.2	178.4	-67.9	-174.4	7.6	0	0	113.1	L247 T248 K252 Q253 K254	L247-Q250 PolarHBondContact O-N 3.34Å; T248-Q250 PolarHBondContact O-N 2.85Å; Q250-K252 VanDerWaalsContact C-N 3.3Å; Q250-Q253 PolarHBondContact O-N 2.82Å; Q250-K254 PolarHBondContact O-N 2.84Å
251	Y	75.8	Confident	74.2	Confident	162 Å²	162	112.7 Å²	112.7	64%	0.635	56%	0.556	S	S	*	*	H	α-helix	trans	-67.3	-34.7	174.5	-78.3	-72.5	0	0	0	111.5	L247 T248 K254 L255	L247-Y251 HydrophobicContact CD1-CD2 4.26Å; L247-Y251 HydrophobicContact CD1-CE2 3.83Å; L247-Y251 HydrophobicContact CD2-CE2 4.39Å; L247-Y251 HydrophobicContact CG-CD2 4.08Å; L247-Y251 HydrophobicContact CG-CE2 3.88Å; L247-Y251 WeakPolarHBondContact O-CD2 3.24Å; L247-Y251 PolarHBondContact O-N 3Å; T248-Y251 PolarHBondContact O-N 2.98Å; Y251-K254 PolarHBondContact O-N 2.78Å; Y251-L255 VanDerWaalsContact O-CB 3.22Å; Y251-L255 WeakPolarHBondContact O-CB 2.99Å; Y251-L255 PolarHBondContact O-N 3.13Å
252	K	83.6	Confident	76.3	Confident	140 Å²	140	112.7 Å²	112.7	61%	0.609	55%	0.546	S	S	*	.	H	α-helix	trans	-62.2	-41.7	174.3	-172.6	178.9	-178.5	-176.8	0	111.6	T248 D249 Q250 Q256	T248-K252 WeakPolarHBondContact O-CB 3.34Å; T248-K252 PolarHBondContact O-N 2.8Å; D249-K252 PolarHBondContact O-N 2.76Å; Q250-K252 VanDerWaalsContact C-N 3.3Å; K252-Q256 VanDerWaalsContact O-CB 3.23Å; K252-Q256 WeakPolarHBondContact O-CB 3.14Å; K252-Q256 PolarHBondContact O-N 2.82Å
253	Q	82.6	Confident	78.6	Confident	123 Å²	123	111.3 Å²	111.3	58%	0.575	53%	0.533	S	S	*	.	H	α-helix	trans	-65.7	-48.5	177.4	-171.9	176.2	0.5	0	0	112.2	D249 Q250 L255 Q256 E257	D249-Q253 PolarHBondContact O-N 2.68Å; Q250-Q253 PolarHBondContact O-N 2.82Å; Q253-L255 VanDerWaalsContact C-N 3.33Å; Q253-L255 PolarHBondContact O-N 2.94Å; Q253-Q256 WeakPolarHBondContact O-CB 3.38Å; Q253-Q256 PolarHBondContact O-N 3.19Å; Q253-Q256 VanDerWaalsContact O-N 3.15Å; Q253-E257 PolarHBondContact O-N 2.81Å
254	K	86.7	Confident	80.9	Confident	150 Å²	150	109.7 Å²	109.7	65%	0.652	52%	0.519	S	S	*	.	H	α-helix	trans	-61.9	-40.3	177.8	-73.2	-175.2	177	179.6	0	112.7	Q250 Y251 Q256 E257 E258	Q250-K254 PolarHBondContact O-N 2.84Å; Y251-K254 PolarHBondContact O-N 2.78Å; K254-Q256 VanDerWaalsContact C-N 3.33Å; K254-E257 PolarHBondContact O-N 2.86Å; K254-E258 PolarHBondContact O-N 3.3Å
255	L	88.3	Confident	82.7	Confident	108 Å²	108	111.6 Å²	111.6	57%	0.565	53%	0.525	S	S	*	.	H	α-helix	trans	-64.3	-40.8	174.9	179.6	62.1	0	0	0	111.2	Y251 Q253 E258 L259	Y251-L255 VanDerWaalsContact O-CB 3.22Å; Y251-L255 WeakPolarHBondContact O-CB 2.99Å; Y251-L255 PolarHBondContact O-N 3.13Å; Q253-L255 VanDerWaalsContact C-N 3.33Å; Q253-L255 PolarHBondContact O-N 2.94Å; L255-E258 PolarHBondContact O-N 2.9Å; L255-L259 HydrophobicContact CD1-CD1 4.27Å; L255-L259 HydrophobicContact CD1-CG 4.22Å; L255-L259 HydrophobicContact CG-CD1 3.99Å; L255-L259 HydrophobicContact CG-CG 4.37Å; L255-L259 WeakPolarHBondContact O-CB 3.31Å; L255-L259 VanDerWaalsContact O-CG 3.24Å; L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 3.45Å
256	Q	90.7	Very high	84.4	Confident	83 Å²	83	110.9 Å²	110.9	39%	0.388	52%	0.524	S	S	.	.	H	α-helix	trans	-62.2	-45.8	177.7	-174.3	60	35.9	0	0	111.4	K252 Q253 K254 E258 L259 D260	K252-Q256 VanDerWaalsContact O-CB 3.23Å; K252-Q256 WeakPolarHBondContact O-CB 3.14Å; K252-Q256 PolarHBondContact O-N 2.82Å; Q253-Q256 WeakPolarHBondContact O-CB 3.38Å; Q253-Q256 PolarHBondContact O-N 3.19Å; Q253-Q256 VanDerWaalsContact O-N 3.15Å; K254-Q256 VanDerWaalsContact C-N 3.33Å; Q256-E258 VanDerWaalsContact C-N 3.34Å; Q256-E258 PolarHBondContact O-N 3.38Å; Q256-L259 PolarHBondContact O-N 3.26Å; Q256-D260 PolarHBondContact NE2-OD1 3.32Å; Q256-D260 VanDerWaalsContact NE2-OD1 3.11Å; Q256-D260 PolarHBondContact NE2-OD2 2.72Å; Q256-D260 WeakPolarHBondContact O-CB 3.2Å; Q256-D260 VanDerWaalsContact O-CG 3.29Å; Q256-D260 PolarHBondContact O-N 3.48Å
257	E	89.9	Confident	86.2	Confident	102 Å²	102	105.5 Å²	105.5	48%	0.477	50%	0.504	S	S	.	.	H	α-helix	trans	-59.6	-42.5	177.1	-74.6	173.8	-169.7	0	0	112.3	Q253 K254 D260 K261	Q253-E257 PolarHBondContact O-N 2.81Å; K254-E257 PolarHBondContact O-N 2.86Å; E257-D260 PolarHBondContact O-N 2.91Å; E257-K261 WeakPolarHBondContact O-CG 3.29Å; E257-K261 PolarHBondContact O-N 3.27Å; E257-K261 VanDerWaalsContact O-N 3.11Å
258	E	93.4	Very high	87.7	Confident	102 Å²	102	104.1 Å²	104.1	48%	0.477	50%	0.5	S	S	.	.	H	α-helix	trans	-73.9	-35.3	179.9	-156.8	61.9	-162	0	0	112.5	K254 L255 Q256 D260 K261 M262	K254-E258 PolarHBondContact O-N 3.3Å; L255-E258 PolarHBondContact O-N 2.9Å; Q256-E258 VanDerWaalsContact C-N 3.34Å; Q256-E258 PolarHBondContact O-N 3.38Å; E258-D260 VanDerWaalsContact C-N 3.33Å; E258-K261 PolarHBondContact O-N 3.02Å; E258-K261 IonicContact OE2-NZ 3.05Å; E258-K261 PolarHBondContact OE2-NZ 3.44Å; E258-M262 WeakPolarHBondContact O-CB 3.46Å; E258-M262 WeakPolarHBondContact O-CG 3.28Å; E258-M262 PolarHBondContact O-N 3.42Å
259	L	91.9	Very high	88.9	Confident	72 Å²	72	105.6 Å²	105.6	38%	0.377	50%	0.503	S	S	.	.	H	α-helix	trans	-63.5	-39.4	171.9	-75.6	174.2	0	0	0	111.8	L255 Q256 M262 R263	L255-L259 HydrophobicContact CD1-CD1 4.27Å; L255-L259 HydrophobicContact CD1-CG 4.22Å; L255-L259 HydrophobicContact CG-CD1 3.99Å; L255-L259 HydrophobicContact CG-CG 4.37Å; L255-L259 WeakPolarHBondContact O-CB 3.31Å; L255-L259 VanDerWaalsContact O-CG 3.24Å; L255-L259 WeakPolarHBondContact O-CG 3.49Å; L255-L259 PolarHBondContact O-N 3.45Å; Q256-L259 PolarHBondContact O-N 3.26Å; L259-M262 PolarHBondContact O-N 2.97Å; L259-R263 WeakPolarHBondContact O-CB 3.45Å; L259-R263 WeakPolarHBondContact O-CD 3.38Å; L259-R263 WeakPolarHBondContact O-CG 3.24Å; L259-R263 PolarHBondContact O-N 2.78Å
260	D	93.1	Very high	90	Very high	60 Å²	60	107.8 Å²	107.8	32%	0.321	51%	0.512	S	S	.	.	H	α-helix	trans	-70.2	-35.1	179	-70.8	-24.7	0	0	0	111.6	Q256 E257 E258 R263 N264	Q256-D260 PolarHBondContact NE2-OD1 3.32Å; Q256-D260 VanDerWaalsContact NE2-OD1 3.11Å; Q256-D260 PolarHBondContact NE2-OD2 2.72Å; Q256-D260 WeakPolarHBondContact O-CB 3.2Å; Q256-D260 VanDerWaalsContact O-CG 3.29Å; Q256-D260 PolarHBondContact O-N 3.48Å; E257-D260 PolarHBondContact O-N 2.91Å; E258-D260 VanDerWaalsContact C-N 3.33Å; D260-R263 IonicContact OD1-NH1 3.95Å; D260-R263 PolarHBondContact OD1-NH1 3.32Å; D260-R263 VanDerWaalsContact OD1-NH1 3.13Å; D260-N264 PolarHBondContact O-N 3.03Å; D260-N264 PolarHBondContact O-ND2 2.9Å
261	K	94.5	Very high	91	Very high	110 Å²	110	107.7 Å²	107.7	48%	0.478	51%	0.509	S	S	.	.	H	α-helix	trans	-63	-50.3	168.7	-70.5	176.5	-165.3	161.2	0	112.3	E257 E258 R263 N264 D265	E257-K261 WeakPolarHBondContact O-CG 3.29Å; E257-K261 PolarHBondContact O-N 3.27Å; E257-K261 VanDerWaalsContact O-N 3.11Å; E258-K261 PolarHBondContact O-N 3.02Å; E258-K261 IonicContact OE2-NZ 3.05Å; E258-K261 PolarHBondContact OE2-NZ 3.44Å; K261-R263 PolarHBondContact O-N 3.02Å; K261-N264 WeakPolarHBondContact O-CB 3.45Å; K261-N264 PolarHBondContact O-N 2.95Å; K261-D265 PolarHBondContact O-N 3.08Å
262	M	92.7	Very high	91.9	Very high	104 Å²	104	103.3 Å²	103.3	51%	0.512	50%	0.496	S	S	.	.	H	α-helix	trans	-58.5	-37.8	178.6	-75.4	-68.8	-64.5	0	0	112.2	E258 L259 L266	E258-M262 WeakPolarHBondContact O-CB 3.46Å; E258-M262 WeakPolarHBondContact O-CG 3.28Å; E258-M262 PolarHBondContact O-N 3.42Å; L259-M262 PolarHBondContact O-N 2.97Å; M262-L266 WeakPolarHBondContact O-CB 3.43Å; M262-L266 VanDerWaalsContact O-CG 3.3Å; M262-L266 WeakPolarHBondContact O-CG 3.27Å; M262-L266 PolarHBondContact O-N 3.48Å
263	R	93.7	Very high	92.4	Very high	145 Å²	145	99.9 Å²	99.9	55%	0.547	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-44.2	173.9	-76.2	166.6	175.6	174.2	-4.7	111.9	L259 D260 K261 L266 D267	L259-R263 WeakPolarHBondContact O-CB 3.45Å; L259-R263 WeakPolarHBondContact O-CD 3.38Å; L259-R263 WeakPolarHBondContact O-CG 3.24Å; L259-R263 PolarHBondContact O-N 2.78Å; D260-R263 IonicContact OD1-NH1 3.95Å; D260-R263 PolarHBondContact OD1-NH1 3.32Å; D260-R263 VanDerWaalsContact OD1-NH1 3.13Å; K261-R263 PolarHBondContact O-N 3.02Å; R263-L266 PolarHBondContact O-N 3.39Å; R263-D267 WeakPolarHBondContact O-CB 3.48Å; R263-D267 PolarHBondContact O-N 3.4Å
264	N	94	Very high	93	Very high	104 Å²	104	102.1 Å²	102.1	56%	0.556	49%	0.488	S	S	*	.	H	α-helix	trans	-64.2	-42.1	177.6	-70.9	-23.4	0	0	0	111.7	D260 K261 D267 V268	D260-N264 PolarHBondContact O-N 3.03Å; D260-N264 PolarHBondContact O-ND2 2.9Å; K261-N264 WeakPolarHBondContact O-CB 3.45Å; K261-N264 PolarHBondContact O-N 2.95Å; N264-D267 PolarHBondContact O-N 3.46Å; N264-V268 WeakPolarHBondContact O-CG2 3.39Å; N264-V268 PolarHBondContact O-N 3.35Å
265	D	94.2	Very high	93.4	Very high	104 Å²	104	101 Å²	101	56%	0.556	48%	0.483	S	S	*	.	H	α-helix	trans	-63.2	-43.3	177.5	-69.9	-15.3	0	0	0	111.5	K261 V268 Q269	K261-D265 PolarHBondContact O-N 3.08Å; D265-V268 PolarHBondContact O-N 2.84Å; D265-Q269 WeakPolarHBondContact O-CB 3.48Å; D265-Q269 PolarHBondContact O-N 3.45Å
266	L	92.6	Very high	93.8	Very high	107 Å²	107	101.2 Å²	101.2	56%	0.56	48%	0.481	S	S	*	.	H	α-helix	trans	-64.3	-39.9	174.4	-72.7	173.1	0	0	0	112.1	M262 R263 Q269 M270	M262-L266 WeakPolarHBondContact O-CB 3.43Å; M262-L266 VanDerWaalsContact O-CG 3.3Å; M262-L266 WeakPolarHBondContact O-CG 3.27Å; M262-L266 PolarHBondContact O-N 3.48Å; R263-L266 PolarHBondContact O-N 3.39Å; L266-Q269 PolarHBondContact O-N 3.3Å; L266-M270 WeakPolarHBondContact O-CB 3.23Å; L266-M270 VanDerWaalsContact O-CG 3.26Å; L266-M270 WeakPolarHBondContact O-CG 3.34Å; L266-M270 PolarHBondContact O-N 2.83Å
267	D	94.4	Very high	94	Very high	67 Å²	67	101.9 Å²	101.9	36%	0.358	49%	0.486	S	S	.	.	H	α-helix	trans	-66.8	-39.7	178	-166.2	49.9	0	0	0	111.9	R263 N264 K271	R263-D267 WeakPolarHBondContact O-CB 3.48Å; R263-D267 PolarHBondContact O-N 3.4Å; N264-D267 PolarHBondContact O-N 3.46Å; D267-K271 VanDerWaalsContact O-CG 3.31Å; D267-K271 WeakPolarHBondContact O-CG 3.37Å; D267-K271 PolarHBondContact O-N 3.16Å; D267-K271 WeakPolarHBondContact OD2-CE 3.42Å; D267-K271 IonicContact OD2-NZ 2.84Å; D267-K271 PolarHBondContact OD2-NZ 2.93Å
268	V	94.9	Very high	94.3	Very high	78 Å²	78	101.6 Å²	101.6	47%	0.473	49%	0.485	S	S	.	.	H	α-helix	trans	-63.8	-46.5	172.5	171.7	0	0	0	0	110.8	N264 D265 M270 K271 I272	N264-V268 WeakPolarHBondContact O-CG2 3.39Å; N264-V268 PolarHBondContact O-N 3.35Å; D265-V268 PolarHBondContact O-N 2.84Å; V268-M270 PolarHBondContact O-N 2.94Å; V268-K271 WeakPolarHBondContact O-CB 3.36Å; V268-K271 PolarHBondContact O-N 3.41Å; V268-I272 HydrophobicContact CG1-CD1 3.94Å; V268-I272 WeakPolarHBondContact O-CG1 3.37Å; V268-I272 PolarHBondContact O-N 2.9Å
269	Q	94.7	Very high	94.4	Very high	94 Å²	94	101.5 Å²	101.5	44%	0.439	48%	0.484	S	S	.	.	H	α-helix	trans	-64.4	-40.3	178.7	-170.1	63.4	41	0	0	112.1	D265 L266 K271 I272 N273	D265-Q269 WeakPolarHBondContact O-CB 3.48Å; D265-Q269 PolarHBondContact O-N 3.45Å; L266-Q269 PolarHBondContact O-N 3.3Å; Q269-K271 VanDerWaalsContact C-N 3.31Å; Q269-K271 PolarHBondContact O-N 2.95Å; Q269-I272 PolarHBondContact O-N 3.13Å; Q269-N273 PolarHBondContact NE2-OD1 3.09Å; Q269-N273 WeakPolarHBondContact O-CB 3.48Å; Q269-N273 PolarHBondContact O-N 2.89Å; Q269-N273 PolarHBondContact O-OD1 3.21Å
270	M	93.5	Very high	94.6	Very high	119 Å²	119	104.3 Å²	104.3	59%	0.586	49%	0.494	S	S	*	.	H	α-helix	trans	-61.9	-39.9	175	-77.4	-167.9	-61.2	0	0	111.6	L266 V268 R274	L266-M270 WeakPolarHBondContact O-CB 3.23Å; L266-M270 VanDerWaalsContact O-CG 3.26Å; L266-M270 WeakPolarHBondContact O-CG 3.34Å; L266-M270 PolarHBondContact O-N 2.83Å; V268-M270 PolarHBondContact O-N 2.94Å; M270-R274 WeakPolarHBondContact O-CB 3.39Å; M270-R274 PolarHBondContact O-N 2.9Å
271	K	95.9	Very high	94.7	Very high	127 Å²	127	108.3 Å²	108.3	55%	0.552	51%	0.506	S	S	*	.	H	α-helix	trans	-64.2	-42.7	174.8	-76.1	165.4	177.2	156.4	0	112.1	D267 V268 Q269 K275	D267-K271 VanDerWaalsContact O-CG 3.31Å; D267-K271 WeakPolarHBondContact O-CG 3.37Å; D267-K271 PolarHBondContact O-N 3.16Å; D267-K271 WeakPolarHBondContact OD2-CE 3.42Å; D267-K271 IonicContact OD2-NZ 2.84Å; D267-K271 PolarHBondContact OD2-NZ 2.93Å; V268-K271 WeakPolarHBondContact O-CB 3.36Å; V268-K271 PolarHBondContact O-N 3.41Å; Q269-K271 VanDerWaalsContact C-N 3.31Å; Q269-K271 PolarHBondContact O-N 2.95Å; K271-K275 WeakPolarHBondContact O-CB 3.4Å; K271-K275 PolarHBondContact O-N 3.18Å
272	I	95.5	Very high	94.8	Very high	71 Å²	71	109.5 Å²	109.5	36%	0.364	51%	0.513	S	S	.	.	H	α-helix	trans	-63.5	-53.4	176.7	-67.7	168.1	0	0	0	110.4	V268 Q269 R274 K275 E276	V268-I272 HydrophobicContact CG1-CD1 3.94Å; V268-I272 WeakPolarHBondContact O-CG1 3.37Å; V268-I272 PolarHBondContact O-N 2.9Å; Q269-I272 PolarHBondContact O-N 3.13Å; I272-R274 VanDerWaalsContact C-N 3.27Å; I272-R274 PolarHBondContact O-N 3.17Å; I272-K275 WeakPolarHBondContact O-CB 3.44Å; I272-K275 PolarHBondContact O-N 2.87Å; I272-E276 HydrophobicContact CG2-CG 4.33Å; I272-E276 WeakPolarHBondContact O-CG 3.44Å; I272-E276 PolarHBondContact O-N 2.99Å
273	N	92.7	Very high	95	Very high	68 Å²	68	107.3 Å²	107.3	36%	0.364	51%	0.511	S	S	.	.	H	α-helix	trans	-57.5	-41.9	179.8	-69.3	-1.4	0	0	0	111.7	Q269 E276 I277	Q269-N273 PolarHBondContact NE2-OD1 3.09Å; Q269-N273 WeakPolarHBondContact O-CB 3.48Å; Q269-N273 PolarHBondContact O-N 2.89Å; Q269-N273 PolarHBondContact O-OD1 3.21Å; N273-E276 PolarHBondContact O-N 2.81Å; N273-I277 WeakPolarHBondContact O-CB 3.37Å; N273-I277 WeakPolarHBondContact O-CD1 3.33Å; N273-I277 WeakPolarHBondContact O-CG1 3.46Å; N273-I277 PolarHBondContact O-N 3.02Å
274	R	95.9	Very high	95.1	Very high	169 Å²	169	105.7 Å²	105.7	64%	0.638	51%	0.508	S	S	*	.	H	α-helix	trans	-60.8	-46.2	176.3	179.2	176.2	173.9	178.2	0.5	111.4	M270 I272 I277 E278	M270-R274 WeakPolarHBondContact O-CB 3.39Å; M270-R274 PolarHBondContact O-N 2.9Å; I272-R274 VanDerWaalsContact C-N 3.27Å; I272-R274 PolarHBondContact O-N 3.17Å; R274-I277 PolarHBondContact O-N 2.8Å; R274-E278 HydrophobicContact CG-CG 4.48Å; R274-E278 WeakPolarHBondContact CG-OE1 3.47Å; R274-E278 IonicContact CZ-OE1 2.72Å; R274-E278 IonicContact NE-OE1 2.76Å; R274-E278 PolarHBondContact NE-OE1 2.79Å; R274-E278 IonicContact NH2-OE1 3.85Å; R274-E278 PolarHBondContact NH2-OE1 3.01Å; R274-E278 WeakPolarHBondContact O-CB 3.34Å; R274-E278 VanDerWaalsContact O-CG 3.3Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 2.84Å
275	K	95.8	Very high	95.2	Very high	126 Å²	126	105.2 Å²	105.2	55%	0.548	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-43.9	179.3	-169.1	-177.7	-178.7	-152.8	0	112	K271 I272 I277 E278 E279	K271-K275 WeakPolarHBondContact O-CB 3.4Å; K271-K275 PolarHBondContact O-N 3.18Å; I272-K275 WeakPolarHBondContact O-CB 3.44Å; I272-K275 PolarHBondContact O-N 2.87Å; K275-I277 VanDerWaalsContact C-N 3.33Å; K275-I277 PolarHBondContact O-N 2.7Å; K275-E278 PolarHBondContact O-N 2.84Å; K275-E279 WeakPolarHBondContact CE-OE1 3.2Å; K275-E279 IonicContact NZ-OE1 3.83Å; K275-E279 WeakPolarHBondContact O-CB 3.44Å; K275-E279 WeakPolarHBondContact O-CG 3.43Å; K275-E279 PolarHBondContact O-N 2.78Å
276	E	95.8	Very high	95.3	Very high	114 Å²	114	105.5 Å²	105.5	53%	0.533	50%	0.503	S	S	.	.	H	α-helix	trans	-62.4	-40	177.1	-70.9	177	172.9	0	0	112.1	I272 N273 F280	I272-E276 HydrophobicContact CG2-CG 4.33Å; I272-E276 WeakPolarHBondContact O-CG 3.44Å; I272-E276 PolarHBondContact O-N 2.99Å; N273-E276 PolarHBondContact O-N 2.81Å; E276-F280 VanDerWaalsContact O-CB 3.25Å; E276-F280 WeakPolarHBondContact O-CB 3.33Å; E276-F280 PolarHBondContact O-N 2.89Å
277	I	94.6	Very high	95.4	Very high	96 Å²	96	102.8 Å²	102.8	49%	0.492	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-44.5	175.5	-70.7	168	0	0	0	110.8	N273 R274 K275 F280 Y281	N273-I277 WeakPolarHBondContact O-CB 3.37Å; N273-I277 WeakPolarHBondContact O-CD1 3.33Å; N273-I277 WeakPolarHBondContact O-CG1 3.46Å; N273-I277 PolarHBondContact O-N 3.02Å; R274-I277 PolarHBondContact O-N 2.8Å; K275-I277 VanDerWaalsContact C-N 3.33Å; K275-I277 PolarHBondContact O-N 2.7Å; I277-F280 PolarHBondContact O-N 3.5Å; I277-Y281 HydrophobicContact CG2-CD2 3.53Å; I277-Y281 HydrophobicContact CG2-CE2 3.51Å; I277-Y281 WeakPolarHBondContact O-CD2 3.35Å; I277-Y281 PolarHBondContact O-N 2.96Å
278	E	96.3	Very high	95.4	Very high	96 Å²	96	104.2 Å²	104.2	45%	0.449	50%	0.5	S	S	.	.	H	α-helix	trans	-59.1	-49.7	175.6	-75.2	170.5	-177.2	0	0	110.6	R274 K275 F280 Y281 E282	R274-E278 HydrophobicContact CG-CG 4.48Å; R274-E278 WeakPolarHBondContact CG-OE1 3.47Å; R274-E278 IonicContact CZ-OE1 2.72Å; R274-E278 IonicContact NE-OE1 2.76Å; R274-E278 PolarHBondContact NE-OE1 2.79Å; R274-E278 IonicContact NH2-OE1 3.85Å; R274-E278 PolarHBondContact NH2-OE1 3.01Å; R274-E278 WeakPolarHBondContact O-CB 3.34Å; R274-E278 VanDerWaalsContact O-CG 3.3Å; R274-E278 WeakPolarHBondContact O-CG 3.34Å; R274-E278 PolarHBondContact O-N 2.84Å; K275-E278 PolarHBondContact O-N 2.84Å; E278-F280 PolarHBondContact O-N 2.85Å; E278-Y281 PolarHBondContact O-N 2.69Å; E278-E282 VanDerWaalsContact O-CB 3.23Å; E278-E282 WeakPolarHBondContact O-CB 3.33Å; E278-E282 PolarHBondContact O-N 2.91Å
279	E	96.5	Very high	95.4	Very high	100 Å²	100	108.7 Å²	108.7	47%	0.467	51%	0.509	S	S	.	.	H	α-helix	trans	-61.1	-41.4	176.8	-73.5	176.2	-177.4	0	0	112.2	K275 E282 A283	K275-E279 WeakPolarHBondContact CE-OE1 3.2Å; K275-E279 IonicContact NZ-OE1 3.83Å; K275-E279 WeakPolarHBondContact O-CB 3.44Å; K275-E279 WeakPolarHBondContact O-CG 3.43Å; K275-E279 PolarHBondContact O-N 2.78Å; E279-E282 PolarHBondContact O-N 2.82Å; E279-A283 WeakPolarHBondContact O-CB 3.46Å; E279-A283 PolarHBondContact O-N 3.16Å
280	F	95.7	Very high	95.5	Very high	132 Å²	132	109.2 Å²	109.2	58%	0.579	51%	0.511	S	S	*	.	H	α-helix	trans	-62.2	-48.2	176.8	175.1	-97.4	0	0	0	112.1	E276 I277 E278 K284	E276-F280 VanDerWaalsContact O-CB 3.25Å; E276-F280 WeakPolarHBondContact O-CB 3.33Å; E276-F280 PolarHBondContact O-N 2.89Å; I277-F280 PolarHBondContact O-N 3.5Å; E278-F280 PolarHBondContact O-N 2.85Å; F280-K284 WeakPolarHBondContact O-CB 3.41Å; F280-K284 PolarHBondContact O-N 3.03Å
281	Y	94.8	Very high	95.5	Very high	144 Å²	144	106.2 Å²	106.2	57%	0.565	51%	0.505	S	S	*	.	H	α-helix	trans	-71.8	-32.9	179.7	-77.1	-61.5	0	0	0	112.2	I277 E278 K284 L285	I277-Y281 HydrophobicContact CG2-CD2 3.53Å; I277-Y281 HydrophobicContact CG2-CE2 3.51Å; I277-Y281 WeakPolarHBondContact O-CD2 3.35Å; I277-Y281 PolarHBondContact O-N 2.96Å; E278-Y281 PolarHBondContact O-N 2.69Å; Y281-K284 PolarHBondContact O-N 3.49Å; Y281-L285 WeakPolarHBondContact O-CB 3.27Å; Y281-L285 WeakPolarHBondContact O-CG 3.27Å; Y281-L285 PolarHBondContact O-N 2.93Å
282	E	96.9	Very high	95.4	Very high	134 Å²	134	103 Å²	103	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-65.1	-46.8	174.2	-171.8	155.7	-151.2	0	0	111.3	E278 E279 K284 L285 Q286	E278-E282 VanDerWaalsContact O-CB 3.23Å; E278-E282 WeakPolarHBondContact O-CB 3.33Å; E278-E282 PolarHBondContact O-N 2.91Å; E279-E282 PolarHBondContact O-N 2.82Å; E282-K284 VanDerWaalsContact C-N 3.32Å; E282-K284 PolarHBondContact O-N 3.03Å; E282-L285 PolarHBondContact O-N 2.85Å; E282-Q286 WeakPolarHBondContact O-CB 3.37Å; E282-Q286 PolarHBondContact O-N 3.26Å
283	A	96.1	Very high	95.4	Very high	58 Å²	58	104.2 Å²	104.2	48%	0.479	51%	0.509	S	S	.	.	H	α-helix	trans	-60.6	-40.9	172.8	0	0	0	0	0	111.9	E279 Q286 S287	E279-A283 WeakPolarHBondContact O-CB 3.46Å; E279-A283 PolarHBondContact O-N 3.16Å; A283-Q286 PolarHBondContact O-N 3.25Å; A283-S287 PolarHBondContact O-N 2.89Å
284	K	96.9	Very high	95.5	Very high	111 Å²	111	106.6 Å²	106.6	48%	0.483	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-44.5	177.2	-171.5	62.3	177.4	178.2	0	111.7	F280 Y281 E282 Q286 S287 L288	F280-K284 WeakPolarHBondContact O-CB 3.41Å; F280-K284 PolarHBondContact O-N 3.03Å; Y281-K284 PolarHBondContact O-N 3.49Å; E282-K284 VanDerWaalsContact C-N 3.32Å; E282-K284 PolarHBondContact O-N 3.03Å; K284-Q286 VanDerWaalsContact C-N 3.34Å; K284-S287 PolarHBondContact O-N 3.43Å; K284-S287 PolarHBondContact O-OG 3.04Å; K284-L288 HydrophobicContact CG-CD1 4.4Å; K284-L288 WeakPolarHBondContact O-CG 3.48Å; K284-L288 PolarHBondContact O-N 3.45Å
285	L	95.3	Very high	95.4	Very high	94 Å²	94	102.7 Å²	102.7	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-62.6	-40.8	176.1	-76.4	169.3	0	0	0	111.6	Y281 E282 L288 R289	Y281-L285 WeakPolarHBondContact O-CB 3.27Å; Y281-L285 WeakPolarHBondContact O-CG 3.27Å; Y281-L285 PolarHBondContact O-N 2.93Å; E282-L285 PolarHBondContact O-N 2.85Å; L285-L288 PolarHBondContact O-N 2.86Å; L285-R289 WeakPolarHBondContact O-CG 3.45Å; L285-R289 PolarHBondContact O-N 2.97Å
286	Q	96.4	Very high	95.3	Very high	110 Å²	110	101.3 Å²	101.3	51%	0.514	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-47.9	175.5	-175.1	172.8	-5.3	0	0	111.4	E282 A283 K284 L288 R289 E290	E282-Q286 WeakPolarHBondContact O-CB 3.37Å; E282-Q286 PolarHBondContact O-N 3.26Å; A283-Q286 PolarHBondContact O-N 3.25Å; K284-Q286 VanDerWaalsContact C-N 3.34Å; Q286-L288 PolarHBondContact O-N 3.32Å; Q286-R289 WeakPolarHBondContact O-CB 3.44Å; Q286-R289 PolarHBondContact O-N 3Å; Q286-R289 VanDerWaalsContact O-N 3.11Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.33Å; Q286-E290 PolarHBondContact NE2-OE1 3.01Å; Q286-E290 VanDerWaalsContact NE2-OE1 3.16Å; Q286-E290 WeakPolarHBondContact O-CG 3.26Å; Q286-E290 PolarHBondContact O-N 2.95Å
287	S	95.3	Very high	95.2	Very high	50 Å²	50	101 Å²	101	35%	0.35	51%	0.514	S	S	.	.	H	α-helix	trans	-60.2	-34.2	176.9	73.3	0	0	0	0	113.1	A283 K284 A291	A283-S287 PolarHBondContact O-N 2.89Å; K284-S287 PolarHBondContact O-N 3.43Å; K284-S287 PolarHBondContact O-OG 3.04Å; S287-A291 WeakPolarHBondContact O-CB 3.5Å; S287-A291 PolarHBondContact O-N 3.39Å
288	L	94.3	Very high	95.2	Very high	97 Å²	97	98 Å²	98	51%	0.508	51%	0.507	S	S	.	.	H	α-helix	trans	-72.8	-36.9	176.5	-72.9	172.3	0	0	0	112.1	K284 L285 Q286 A292	K284-L288 HydrophobicContact CG-CD1 4.4Å; K284-L288 WeakPolarHBondContact O-CG 3.48Å; K284-L288 PolarHBondContact O-N 3.45Å; L285-L288 PolarHBondContact O-N 2.86Å; Q286-L288 PolarHBondContact O-N 3.32Å; L288-A292 WeakPolarHBondContact O-CB 3.45Å; L288-A292 PolarHBondContact O-N 3.33Å
289	R	95.5	Very high	95	Very high	173 Å²	173	95.6 Å²	95.6	65%	0.653	50%	0.5	S	S	*	.	H	α-helix	trans	-64.2	-48.5	173.4	-74.2	174.4	-179	167.2	1.9	110.9	L285 Q286 A291 A292 D293	L285-R289 WeakPolarHBondContact O-CG 3.45Å; L285-R289 PolarHBondContact O-N 2.97Å; Q286-R289 WeakPolarHBondContact O-CB 3.44Å; Q286-R289 PolarHBondContact O-N 3Å; Q286-R289 VanDerWaalsContact O-N 3.11Å; R289-A291 VanDerWaalsContact C-N 3.32Å; R289-A291 PolarHBondContact O-N 2.9Å; R289-A292 WeakPolarHBondContact O-CB 3.33Å; R289-A292 PolarHBondContact O-N 3.28Å; R289-A292 VanDerWaalsContact O-N 3.09Å; R289-D293 WeakPolarHBondContact O-CB 3.45Å; R289-D293 VanDerWaalsContact O-CG 3.31Å; R289-D293 PolarHBondContact O-N 3.39Å
290	E	96	Very high	94.9	Very high	105 Å²	105	94 Å²	94	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-59.3	-42	177.1	-70.5	171.7	-169.6	0	0	111.8	Q286 D293 L294	Q286-E290 WeakPolarHBondContact CG-OE1 3.33Å; Q286-E290 PolarHBondContact NE2-OE1 3.01Å; Q286-E290 VanDerWaalsContact NE2-OE1 3.16Å; Q286-E290 WeakPolarHBondContact O-CG 3.26Å; Q286-E290 PolarHBondContact O-N 2.95Å; E290-D293 PolarHBondContact O-N 3.43Å; E290-L294 WeakPolarHBondContact O-CB 3.39Å; E290-L294 VanDerWaalsContact O-CG 3.28Å; E290-L294 WeakPolarHBondContact O-CG 3.33Å; E290-L294 PolarHBondContact O-N 2.93Å
291	A	94.2	Very high	94.9	Very high	56 Å²	56	93.7 Å²	93.7	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-65.3	-38.5	174.8	0	0	0	0	0	112.9	S287 R289 S295	S287-A291 WeakPolarHBondContact O-CB 3.5Å; S287-A291 PolarHBondContact O-N 3.39Å; R289-A291 VanDerWaalsContact C-N 3.32Å; R289-A291 PolarHBondContact O-N 2.9Å; A291-S295 WeakPolarHBondContact O-CB 3.34Å; A291-S295 PolarHBondContact O-N 2.52Å
292	A	94.1	Very high	94.9	Very high	58 Å²	58	90.8 Å²	90.8	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-67	-43.1	176	0	0	0	0	0	111.6	L288 R289 S295 Q296	L288-A292 WeakPolarHBondContact O-CB 3.45Å; L288-A292 PolarHBondContact O-N 3.33Å; R289-A292 WeakPolarHBondContact O-CB 3.33Å; R289-A292 PolarHBondContact O-N 3.28Å; R289-A292 VanDerWaalsContact O-N 3.09Å; A292-S295 PolarHBondContact O-N 3.21Å; A292-Q296 VanDerWaalsContact O-CB 3.31Å; A292-Q296 WeakPolarHBondContact O-CB 3.36Å; A292-Q296 PolarHBondContact O-N 3Å
293	D	95.2	Very high	94.8	Very high	97 Å²	97	89.4 Å²	89.4	52%	0.519	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-45.2	177.6	-68.8	-22.6	0	0	0	110.9	R289 E290 S295 Q296 E297	R289-D293 WeakPolarHBondContact O-CB 3.45Å; R289-D293 VanDerWaalsContact O-CG 3.31Å; R289-D293 PolarHBondContact O-N 3.39Å; E290-D293 PolarHBondContact O-N 3.43Å; D293-S295 VanDerWaalsContact C-N 3.34Å; D293-S295 PolarHBondContact O-N 3.36Å; D293-Q296 PolarHBondContact O-N 3.02Å; D293-Q296 VanDerWaalsContact O-N 3.16Å; D293-E297 WeakPolarHBondContact O-CB 3Å; D293-E297 WeakPolarHBondContact O-CG 3.36Å; D293-E297 PolarHBondContact O-N 2.99Å
294	L	94.4	Very high	94.7	Very high	119 Å²	119	93.3 Å²	93.3	62%	0.623	49%	0.491	S	S	*	.	H	α-helix	trans	-60.5	-41.7	174.4	-75.5	170.2	0	0	0	112.4	E290 Q296 G298	E290-L294 WeakPolarHBondContact O-CB 3.39Å; E290-L294 VanDerWaalsContact O-CG 3.28Å; E290-L294 WeakPolarHBondContact O-CG 3.33Å; E290-L294 PolarHBondContact O-N 2.93Å; L294-Q296 VanDerWaalsContact C-N 3.35Å; L294-G298 PolarHBondContact O-N 3.34Å
295	S	92.8	Very high	94.7	Very high	86 Å²	86	94.1 Å²	94.1	60%	0.601	50%	0.496	S	S	*	.	H	α-helix	trans	-66	-38.5	175.5	-174.6	0	0	0	0	111.8	A291 A292 D293 S299	A291-S295 WeakPolarHBondContact O-CB 3.34Å; A291-S295 PolarHBondContact O-N 2.52Å; A292-S295 PolarHBondContact O-N 3.21Å; D293-S295 VanDerWaalsContact C-N 3.34Å; D293-S295 PolarHBondContact O-N 3.36Å; S295-S299 WeakPolarHBondContact O-CB 3.49Å; S295-S299 PolarHBondContact O-N 2.82Å
296	Q	94	Very high	94.7	Very high	97 Å²	97	92.5 Å²	92.5	45%	0.453	49%	0.49	S	S	.	.	H	α-helix	trans	-68	-46.6	178.5	-178.1	61.7	34.7	0	0	111.1	A292 D293 L294 G298 S299 D300	A292-Q296 VanDerWaalsContact O-CB 3.31Å; A292-Q296 WeakPolarHBondContact O-CB 3.36Å; A292-Q296 PolarHBondContact O-N 3Å; D293-Q296 PolarHBondContact O-N 3.02Å; D293-Q296 VanDerWaalsContact O-N 3.16Å; L294-Q296 VanDerWaalsContact C-N 3.35Å; Q296-G298 VanDerWaalsContact C-N 3.32Å; Q296-G298 PolarHBondContact O-N 2.94Å; Q296-S299 WeakPolarHBondContact O-CB 3.38Å; Q296-S299 PolarHBondContact O-N 3.21Å; Q296-S299 VanDerWaalsContact O-N 3.16Å; Q296-D300 PolarHBondContact NE2-OD1 2.93Å; Q296-D300 VanDerWaalsContact NE2-OD1 3.12Å; Q296-D300 PolarHBondContact NE2-OD2 2.76Å; Q296-D300 PolarHBondContact O-N 2.74Å
297	E	94.4	Very high	94.7	Very high	108 Å²	108	92.6 Å²	92.6	51%	0.505	49%	0.494	S	S	.	.	H	α-helix	trans	-58.4	-42.7	173.8	-75.4	-175.5	-176.7	0	0	112	D293 D300 K301	D293-E297 WeakPolarHBondContact O-CB 3Å; D293-E297 WeakPolarHBondContact O-CG 3.36Å; D293-E297 PolarHBondContact O-N 2.99Å; E297-D300 PolarHBondContact O-N 3.41Å; E297-K301 WeakPolarHBondContact O-CG 3.49Å; E297-K301 PolarHBondContact O-N 2.87Å
298	G	93.7	Very high	94.8	Very high	34 Å²	34	96.1 Å²	96.1	35%	0.351	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-45.7	174.1	0	0	0	0	0	112.2	L294 Q296 D300 V302	L294-G298 PolarHBondContact O-N 3.34Å; Q296-G298 VanDerWaalsContact C-N 3.32Å; Q296-G298 PolarHBondContact O-N 2.94Å; G298-D300 VanDerWaalsContact C-N 3.35Å; G298-D300 PolarHBondContact O-N 3.47Å; G298-V302 WeakPolarHBondContact O-CG2 3.38Å; G298-V302 PolarHBondContact O-N 3.27Å; G298-V302 VanDerWaalsContact O-N 3.17Å
299	S	92.3	Very high	94.9	Very high	44 Å²	44	96.5 Å²	96.5	31%	0.308	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-42.1	174.7	149	0	0	0	0	112	S295 Q296 V302 K303	S295-S299 WeakPolarHBondContact O-CB 3.49Å; S295-S299 PolarHBondContact O-N 2.82Å; Q296-S299 WeakPolarHBondContact O-CB 3.38Å; Q296-S299 PolarHBondContact O-N 3.21Å; Q296-S299 VanDerWaalsContact O-N 3.16Å; S299-V302 PolarHBondContact O-N 3.36Å; S299-K303 WeakPolarHBondContact O-CG 3.39Å; S299-K303 PolarHBondContact O-N 2.79Å; S299-K303 VanDerWaalsContact OG-CE 3.3Å; S299-K303 WeakPolarHBondContact OG-CE 3.42Å; S299-K303 PolarHBondContact OG-NZ 2.81Å
300	D	95.4	Very high	94.9	Very high	68 Å²	68	96.4 Å²	96.4	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-72.6	-35.4	-176.4	-69.2	-20.4	0	0	0	112.3	Q296 E297 G298 V302 K303 E304	Q296-D300 PolarHBondContact NE2-OD1 2.93Å; Q296-D300 VanDerWaalsContact NE2-OD1 3.12Å; Q296-D300 PolarHBondContact NE2-OD2 2.76Å; Q296-D300 PolarHBondContact O-N 2.74Å; E297-D300 PolarHBondContact O-N 3.41Å; G298-D300 VanDerWaalsContact C-N 3.35Å; G298-D300 PolarHBondContact O-N 3.47Å; D300-V302 PolarHBondContact O-N 2.89Å; D300-K303 PolarHBondContact O-N 2.84Å; D300-K303 IonicContact OD1-NZ 3.51Å; D300-K303 PolarHBondContact OD1-NZ 2.89Å; D300-E304 PolarHBondContact O-N 2.83Å
301	K	94.8	Very high	95	Very high	124 Å²	124	95.3 Å²	95.3	54%	0.539	51%	0.51	S	S	.	.	H	α-helix	trans	-59	-45.7	168.3	-72.5	170.8	-174.9	167.6	0	111.9	E297 K303 E304 E305	E297-K301 WeakPolarHBondContact O-CG 3.49Å; E297-K301 PolarHBondContact O-N 2.87Å; K301-K303 VanDerWaalsContact C-N 3.34Å; K301-K303 PolarHBondContact O-N 3.19Å; K301-E304 PolarHBondContact O-N 3.31Å; K301-E305 WeakPolarHBondContact O-CG 3.34Å; K301-E305 PolarHBondContact O-N 2.85Å
302	V	94.1	Very high	95.1	Very high	83 Å²	83	98.6 Å²	98.6	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-63.3	-40.3	176.9	172.9	0	0	0	0	111.2	G298 S299 D300 E304 E305 V306	G298-V302 WeakPolarHBondContact O-CG2 3.38Å; G298-V302 PolarHBondContact O-N 3.27Å; G298-V302 VanDerWaalsContact O-N 3.17Å; S299-V302 PolarHBondContact O-N 3.36Å; D300-V302 PolarHBondContact O-N 2.89Å; V302-E304 VanDerWaalsContact C-N 3.34Å; V302-E304 PolarHBondContact O-N 3.42Å; V302-E305 PolarHBondContact O-N 3.49Å; V302-V306 HydrophobicContact CG1-CG2 4.42Å; V302-V306 WeakPolarHBondContact O-CB 3.3Å; V302-V306 VanDerWaalsContact O-CG2 3.26Å; V302-V306 WeakPolarHBondContact O-CG2 3.35Å; V302-V306 PolarHBondContact O-N 2.71Å
303	K	95	Very high	95.1	Very high	105 Å²	105	100.6 Å²	100.6	46%	0.457	52%	0.516	S	S	.	.	H	α-helix	trans	-62.6	-41.5	174.9	-71.7	173	-162.4	156.4	0	111.8	S299 D300 K301 V306 L307	S299-K303 WeakPolarHBondContact O-CG 3.39Å; S299-K303 PolarHBondContact O-N 2.79Å; S299-K303 VanDerWaalsContact OG-CE 3.3Å; S299-K303 WeakPolarHBondContact OG-CE 3.42Å; S299-K303 PolarHBondContact OG-NZ 2.81Å; D300-K303 PolarHBondContact O-N 2.84Å; D300-K303 IonicContact OD1-NZ 3.51Å; D300-K303 PolarHBondContact OD1-NZ 2.89Å; K301-K303 VanDerWaalsContact C-N 3.34Å; K301-K303 PolarHBondContact O-N 3.19Å; K303-V306 PolarHBondContact O-N 3.18Å; K303-L307 WeakPolarHBondContact O-CG 3.42Å; K303-L307 PolarHBondContact O-N 3.39Å
304	E	95.8	Very high	95.2	Very high	141 Å²	141	98.6 Å²	98.6	66%	0.659	51%	0.513	S	S	*	.	H	α-helix	trans	-63.6	-44.2	177.3	-167.5	176.7	-176.8	0	0	111.4	D300 K301 V302 V306 L307 H308	D300-E304 PolarHBondContact O-N 2.83Å; K301-E304 PolarHBondContact O-N 3.31Å; V302-E304 VanDerWaalsContact C-N 3.34Å; V302-E304 PolarHBondContact O-N 3.42Å; E304-V306 PolarHBondContact O-N 3.42Å; E304-L307 PolarHBondContact O-N 2.87Å; E304-H308 WeakPolarHBondContact O-CB 3.29Å; E304-H308 PolarHBondContact O-N 3.02Å
305	E	95.9	Very high	95.3	Very high	127 Å²	127	100 Å²	100	59%	0.593	51%	0.511	S	S	*	.	H	α-helix	trans	-60.8	-43.4	173.6	-73	179.7	-175.5	0	0	112.1	K301 V302 L307 H308 L309	K301-E305 WeakPolarHBondContact O-CG 3.34Å; K301-E305 PolarHBondContact O-N 2.85Å; V302-E305 PolarHBondContact O-N 3.49Å; E305-L307 PolarHBondContact O-N 3.38Å; E305-H308 PolarHBondContact O-N 2.87Å; E305-L309 WeakPolarHBondContact O-CB 3.44Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.41Å; E305-L309 PolarHBondContact O-N 2.86Å
306	V	96.2	Very high	95.4	Very high	60 Å²	60	99.8 Å²	99.8	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-42	176.2	168.8	0	0	0	0	111.2	V302 K303 E304 L309 R310	V302-V306 HydrophobicContact CG1-CG2 4.42Å; V302-V306 WeakPolarHBondContact O-CB 3.3Å; V302-V306 VanDerWaalsContact O-CG2 3.26Å; V302-V306 WeakPolarHBondContact O-CG2 3.35Å; V302-V306 PolarHBondContact O-N 2.71Å; K303-V306 PolarHBondContact O-N 3.18Å; E304-V306 PolarHBondContact O-N 3.42Å; V306-L309 PolarHBondContact O-N 2.95Å; V306-R310 WeakPolarHBondContact O-CB 3.45Å; V306-R310 VanDerWaalsContact O-CG 3.24Å; V306-R310 WeakPolarHBondContact O-CG 3.48Å; V306-R310 PolarHBondContact O-N 3.28Å
307	L	96.4	Very high	95.5	Very high	113 Å²	113	100.2 Å²	100.2	59%	0.592	51%	0.508	S	S	*	.	H	α-helix	trans	-64.2	-42.9	175.5	-74.8	175	0	0	0	111.6	K303 E304 E305 R310 S311	K303-L307 WeakPolarHBondContact O-CG 3.42Å; K303-L307 PolarHBondContact O-N 3.39Å; E304-L307 PolarHBondContact O-N 2.87Å; E305-L307 PolarHBondContact O-N 3.38Å; L307-R310 PolarHBondContact O-N 2.87Å; L307-S311 PolarHBondContact O-N 3.06Å
308	H	96.7	Very high	95.6	Very high	123 Å²	123	97.5 Å²	97.5	57%	0.569	50%	0.504	S	S	*	.	H	α-helix	trans	-61.7	-47.1	176.3	-177.7	69.5	0	0	0	111.8	E304 E305 R310 S311 K312	E304-H308 WeakPolarHBondContact O-CB 3.29Å; E304-H308 PolarHBondContact O-N 3.02Å; E305-H308 PolarHBondContact O-N 2.87Å; H308-R310 VanDerWaalsContact C-N 3.35Å; H308-R310 PolarHBondContact O-N 3.15Å; H308-S311 WeakPolarHBondContact O-CB 3.38Å; H308-S311 PolarHBondContact O-N 3.04Å; H308-K312 PolarHBondContact O-N 3.37Å
309	L	95.6	Very high	95.7	Very high	106 Å²	106	99.3 Å²	99.3	56%	0.555	50%	0.503	S	S	*	.	H	α-helix	trans	-63.8	-38.5	177.5	-71.9	175	0	0	0	112.2	E305 V306 K312 L313	E305-L309 WeakPolarHBondContact O-CB 3.44Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.41Å; E305-L309 PolarHBondContact O-N 2.86Å; V306-L309 PolarHBondContact O-N 2.95Å; L309-K312 PolarHBondContact O-N 2.89Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 PolarHBondContact O-N 3.4Å
310	R	97	Very high	95.8	Very high	171 Å²	171	105.5 Å²	105.5	65%	0.645	52%	0.52	S	S	*	.	H	α-helix	trans	-62.1	-42.9	173.6	-77.4	175.5	178.9	-169.1	1.2	112	V306 L307 H308 L313 A314	V306-R310 WeakPolarHBondContact O-CB 3.45Å; V306-R310 VanDerWaalsContact O-CG 3.24Å; V306-R310 WeakPolarHBondContact O-CG 3.48Å; V306-R310 PolarHBondContact O-N 3.28Å; L307-R310 PolarHBondContact O-N 2.87Å; H308-R310 VanDerWaalsContact C-N 3.35Å; H308-R310 PolarHBondContact O-N 3.15Å; R310-L313 PolarHBondContact O-N 3.07Å; R310-A314 PolarHBondContact O-N 2.88Å
311	S	96.3	Very high	95.8	Very high	81 Å²	81	105.1 Å²	105.1	57%	0.566	53%	0.526	S	S	*	.	H	α-helix	trans	-63.1	-44.4	175.5	-177.6	0	0	0	0	111.8	L307 H308 L313 A314 Y315	L307-S311 PolarHBondContact O-N 3.06Å; H308-S311 WeakPolarHBondContact O-CB 3.38Å; H308-S311 PolarHBondContact O-N 3.04Å; S311-L313 PolarHBondContact O-N 3.38Å; S311-A314 PolarHBondContact O-N 3Å; S311-Y315 PolarHBondContact O-N 2.94Å
312	K	96.8	Very high	95.7	Very high	125 Å²	125	105.3 Å²	105.3	54%	0.543	53%	0.527	S	S	.	.	H	α-helix	trans	-63.4	-40.2	176.6	-170.5	176.3	-178.9	178.6	0	112.1	H308 L309 Y315 V316	H308-K312 PolarHBondContact O-N 3.37Å; L309-K312 PolarHBondContact O-N 2.89Å; K312-Y315 PolarHBondContact O-N 3.33Å; K312-V316 WeakPolarHBondContact O-CG2 3.32Å; K312-V316 PolarHBondContact O-N 3.18Å
313	L	94.9	Very high	95.7	Very high	100 Å²	100	105.6 Å²	105.6	52%	0.524	53%	0.529	S	S	.	.	H	α-helix	trans	-61.7	-49.5	175.4	-175.5	68.5	0	0	0	110.8	L309 R310 S311 Y315 V316 E317	L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 PolarHBondContact O-N 3.4Å; R310-L313 PolarHBondContact O-N 3.07Å; S311-L313 PolarHBondContact O-N 3.38Å; L313-Y315 VanDerWaalsContact C-N 3.27Å; L313-Y315 PolarHBondContact O-N 3.36Å; L313-V316 PolarHBondContact O-N 3.43Å; L313-V316 VanDerWaalsContact O-N 3.14Å; L313-E317 HydrophobicContact CG-CG 4.47Å; L313-E317 WeakPolarHBondContact O-CB 3.3Å; L313-E317 WeakPolarHBondContact O-CG 3.41Å; L313-E317 PolarHBondContact O-N 2.93Å
314	A	96.4	Very high	95.7	Very high	55 Å²	55	104.4 Å²	104.4	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-58.9	-38.8	177.4	0	0	0	0	0	112.3	R310 S311 A318	R310-A314 PolarHBondContact O-N 2.88Å; S311-A314 PolarHBondContact O-N 3Å; A314-A318 WeakPolarHBondContact O-CB 3.47Å; A314-A318 PolarHBondContact O-N 2.87Å
315	Y	96.4	Very high	95.6	Very high	148 Å²	148	103.4 Å²	103.4	58%	0.58	52%	0.521	S	S	*	.	H	α-helix	trans	-62.8	-47.7	174.2	176.8	-95.5	0	0	0	112.3	S311 K312 L313 E317 A318 Q319	S311-Y315 PolarHBondContact O-N 2.94Å; K312-Y315 PolarHBondContact O-N 3.33Å; L313-Y315 VanDerWaalsContact C-N 3.27Å; L313-Y315 PolarHBondContact O-N 3.36Å; Y315-E317 VanDerWaalsContact C-N 3.35Å; Y315-A318 PolarHBondContact O-N 3.19Å; Y315-Q319 HydrophobicContact CD1-CG 4.35Å; Y315-Q319 HydrophobicContact CE1-CG 3.94Å; Y315-Q319 HydrophobicContact CE2-CG 4.48Å; Y315-Q319 WeakPolarHBondContact O-CG 3.24Å; Y315-Q319 PolarHBondContact O-N 3.1Å; Y315-Q319 PolarHBondContact OH-NE2 3.01Å
316	V	96.1	Very high	95.6	Very high	82 Å²	82	100.5 Å²	100.5	50%	0.497	52%	0.515	S	S	.	.	H	α-helix	trans	-65.2	-39	179	172.8	0	0	0	0	111.2	K312 L313 Q319 R320	K312-V316 WeakPolarHBondContact O-CG2 3.32Å; K312-V316 PolarHBondContact O-N 3.18Å; L313-V316 PolarHBondContact O-N 3.43Å; L313-V316 VanDerWaalsContact O-N 3.14Å; V316-Q319 PolarHBondContact O-N 3.01Å; V316-R320 WeakPolarHBondContact O-CB 3.34Å; V316-R320 PolarHBondContact O-N 3.26Å
317	E	95	Very high	95.4	Very high	106 Å²	106	101.8 Å²	101.8	50%	0.495	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.1	-74.1	178.7	164.3	0	0	112.1	L313 Y315 Q319 R320 A321	L313-E317 HydrophobicContact CG-CG 4.47Å; L313-E317 WeakPolarHBondContact O-CB 3.3Å; L313-E317 WeakPolarHBondContact O-CG 3.41Å; L313-E317 PolarHBondContact O-N 2.93Å; Y315-E317 VanDerWaalsContact C-N 3.35Å; E317-Q319 PolarHBondContact O-N 3.27Å; E317-R320 PolarHBondContact O-N 2.88Å; E317-A321 PolarHBondContact O-N 3.39Å
318	A	96	Very high	95.3	Very high	51 Å²	51	101.2 Å²	101.2	42%	0.421	51%	0.512	S	S	.	.	H	α-helix	trans	-64.1	-38.9	174.7	0	0	0	0	0	112.4	A314 Y315 A321 K322	A314-A318 WeakPolarHBondContact O-CB 3.47Å; A314-A318 PolarHBondContact O-N 2.87Å; Y315-A318 PolarHBondContact O-N 3.19Å; A318-A321 PolarHBondContact O-N 3.47Å; A318-K322 WeakPolarHBondContact O-CG 3.39Å; A318-K322 PolarHBondContact O-N 2.97Å
319	Q	96.2	Very high	95.2	Very high	72 Å²	72	100 Å²	100	34%	0.336	51%	0.507	S	S	.	.	H	α-helix	trans	-67.2	-42.3	175	-68.1	-64	-8	0	0	111.9	Y315 V316 E317 A321 K322 V323	Y315-Q319 HydrophobicContact CD1-CG 4.35Å; Y315-Q319 HydrophobicContact CE1-CG 3.94Å; Y315-Q319 HydrophobicContact CE2-CG 4.48Å; Y315-Q319 WeakPolarHBondContact O-CG 3.24Å; Y315-Q319 PolarHBondContact O-N 3.1Å; Y315-Q319 PolarHBondContact OH-NE2 3.01Å; V316-Q319 PolarHBondContact O-N 3.01Å; E317-Q319 PolarHBondContact O-N 3.27Å; Q319-A321 VanDerWaalsContact C-N 3.31Å; Q319-A321 PolarHBondContact O-N 3.35Å; Q319-K322 PolarHBondContact O-N 2.79Å; Q319-V323 WeakPolarHBondContact O-CG2 3.35Å; Q319-V323 PolarHBondContact O-N 2.92Å
320	R	94	Very high	95.1	Very high	175 Å²	175	100.7 Å²	100.7	66%	0.66	51%	0.51	S	S	*	.	H	α-helix	trans	-58.7	-43.3	174.2	177.1	-179.6	161	-119.7	-4	111.2	V316 E317 K322 V323 M324	V316-R320 WeakPolarHBondContact O-CB 3.34Å; V316-R320 PolarHBondContact O-N 3.26Å; E317-R320 PolarHBondContact O-N 2.88Å; R320-K322 PolarHBondContact O-N 3.05Å; R320-V323 PolarHBondContact O-N 3.29Å; R320-M324 HydrophobicContact CG-CG 4.39Å; R320-M324 WeakPolarHBondContact O-CB 3.13Å; R320-M324 VanDerWaalsContact O-CG 3.25Å; R320-M324 WeakPolarHBondContact O-CG 3.41Å; R320-M324 PolarHBondContact O-N 3.25Å
321	A	95.4	Very high	94.9	Very high	60 Å²	60	97.8 Å²	97.8	50%	0.496	50%	0.504	S	S	.	.	H	α-helix	trans	-60.2	-44.7	177.4	0	0	0	0	0	112.2	E317 A318 Q319 V323 M324 E325	E317-A321 PolarHBondContact O-N 3.39Å; A318-A321 PolarHBondContact O-N 3.47Å; Q319-A321 VanDerWaalsContact C-N 3.31Å; Q319-A321 PolarHBondContact O-N 3.35Å; A321-V323 PolarHBondContact O-N 3.48Å; A321-M324 PolarHBondContact O-N 3.31Å; A321-E325 PolarHBondContact O-N 3.43Å
322	K	94.5	Very high	94.8	Very high	128 Å²	128	101.2 Å²	101.2	56%	0.557	51%	0.509	S	S	*	.	H	α-helix	trans	-61	-44	176	-71.6	177.4	-177.8	-179.8	0	112.8	A318 Q319 R320 E325 S326	A318-K322 WeakPolarHBondContact O-CG 3.39Å; A318-K322 PolarHBondContact O-N 2.97Å; Q319-K322 PolarHBondContact O-N 2.79Å; R320-K322 PolarHBondContact O-N 3.05Å; K322-E325 PolarHBondContact O-N 3.07Å; K322-S326 PolarHBondContact O-N 3.39Å
323	V	93.4	Very high	94.7	Very high	89 Å²	89	101.1 Å²	101.1	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-64.3	-43.9	177.9	173.7	0	0	0	0	110.5	Q319 R320 A321 E325 S326 M327	Q319-V323 WeakPolarHBondContact O-CG2 3.35Å; Q319-V323 PolarHBondContact O-N 2.92Å; R320-V323 PolarHBondContact O-N 3.29Å; A321-V323 PolarHBondContact O-N 3.48Å; V323-E325 PolarHBondContact O-N 2.9Å; V323-S326 PolarHBondContact O-N 3.49Å; V323-S326 PolarHBondContact O-OG 3.31Å; V323-M327 WeakPolarHBondContact O-CB 3.47Å; V323-M327 PolarHBondContact O-N 2.83Å
324	M	94.7	Very high	94.5	Very high	80 Å²	80	103 Å²	103	39%	0.394	51%	0.514	S	S	.	.	H	α-helix	trans	-60.4	-42.4	177	-73.5	-65.7	-58.3	0	0	112.6	R320 A321 M327 Q328	R320-M324 HydrophobicContact CG-CG 4.39Å; R320-M324 WeakPolarHBondContact O-CB 3.13Å; R320-M324 VanDerWaalsContact O-CG 3.25Å; R320-M324 WeakPolarHBondContact O-CG 3.41Å; R320-M324 PolarHBondContact O-N 3.25Å; A321-M324 PolarHBondContact O-N 3.31Å; M324-M327 HydrophobicContact CE-CE 4.5Å; M324-M327 PolarHBondContact O-N 2.87Å; M324-Q328 WeakPolarHBondContact O-CG 3.44Å; M324-Q328 PolarHBondContact O-N 3.16Å
325	E	94.7	Very high	94.5	Very high	120 Å²	120	106.1 Å²	106.1	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-62.8	-46.4	175.6	-174.8	172.5	-153.6	0	0	111.4	A321 K322 V323 M327 Q328 E329	A321-E325 PolarHBondContact O-N 3.43Å; K322-E325 PolarHBondContact O-N 3.07Å; V323-E325 PolarHBondContact O-N 2.9Å; E325-M327 VanDerWaalsContact C-N 3.27Å; E325-M327 PolarHBondContact O-N 3.43Å; E325-Q328 PolarHBondContact O-N 3.36Å; E325-E329 PolarHBondContact O-N 2.96Å
326	S	94.6	Very high	94.3	Very high	65 Å²	65	105.8 Å²	105.8	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-61.8	-34.8	176.5	74.4	0	0	0	0	112.9	K322 V323 E329 L330	K322-S326 PolarHBondContact O-N 3.39Å; V323-S326 PolarHBondContact O-N 3.49Å; V323-S326 PolarHBondContact O-OG 3.31Å; S326-E329 PolarHBondContact O-N 3.47Å; S326-L330 WeakPolarHBondContact O-CB 3.29Å; S326-L330 PolarHBondContact O-N 2.99Å
327	M	93.3	Very high	94.2	Very high	87 Å²	87	106 Å²	106	43%	0.429	52%	0.522	S	S	.	.	H	α-helix	trans	-67.9	-45.8	177.1	-161.9	179	87.3	0	0	110.8	V323 M324 E325 E329 L330 E331	V323-M327 WeakPolarHBondContact O-CB 3.47Å; V323-M327 PolarHBondContact O-N 2.83Å; M324-M327 HydrophobicContact CE-CE 4.5Å; M324-M327 PolarHBondContact O-N 2.87Å; E325-M327 VanDerWaalsContact C-N 3.27Å; E325-M327 PolarHBondContact O-N 3.43Å; M327-E329 VanDerWaalsContact C-N 3.33Å; M327-E329 PolarHBondContact O-N 2.95Å; M327-L330 PolarHBondContact O-N 3.37Å; M327-L330 VanDerWaalsContact O-N 3.16Å; M327-E331 WeakPolarHBondContact O-CG 3.44Å; M327-E331 PolarHBondContact O-N 3.38Å
328	Q	94.4	Very high	94.1	Very high	101 Å²	101	102.5 Å²	102.5	47%	0.472	51%	0.511	S	S	.	.	H	α-helix	trans	-62.5	-37.9	175.5	-74.1	-176.2	-5.7	0	0	112.6	M324 E325 K332	M324-Q328 WeakPolarHBondContact O-CG 3.44Å; M324-Q328 PolarHBondContact O-N 3.16Å; E325-Q328 PolarHBondContact O-N 3.36Å; Q328-K332 WeakPolarHBondContact O-CG 3.39Å; Q328-K332 PolarHBondContact O-N 2.74Å
329	E	94.3	Very high	94.1	Very high	98 Å²	98	104 Å²	104	46%	0.458	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-40.9	173.6	-75.2	-171.2	179.5	0	0	112.3	E325 S326 M327 K332 K333	E325-E329 PolarHBondContact O-N 2.96Å; S326-E329 PolarHBondContact O-N 3.47Å; M327-E329 VanDerWaalsContact C-N 3.33Å; M327-E329 PolarHBondContact O-N 2.95Å; E329-K332 PolarHBondContact O-N 3.37Å; E329-K333 VanDerWaalsContact O-CG 3.29Å; E329-K333 WeakPolarHBondContact O-CG 3.47Å; E329-K333 PolarHBondContact O-N 3.13Å; E329-K333 IonicContact OE2-NZ 2.66Å
330	L	92.1	Very high	94	Very high	120 Å²	120	106 Å²	106	63%	0.628	53%	0.525	S	S	*	.	H	α-helix	trans	-68.5	-40.1	179.2	-151	76.3	0	0	0	111.3	S326 M327 K333 H334	S326-L330 WeakPolarHBondContact O-CB 3.29Å; S326-L330 PolarHBondContact O-N 2.99Å; M327-L330 PolarHBondContact O-N 3.37Å; M327-L330 VanDerWaalsContact O-N 3.16Å; L330-K333 PolarHBondContact O-N 3.29Å; L330-H334 WeakPolarHBondContact O-CB 3.28Å; L330-H334 PolarHBondContact O-N 3.01Å
331	E	94.2	Very high	93.9	Very high	110 Å²	110	102.7 Å²	102.7	51%	0.514	52%	0.519	S	S	.	.	H	α-helix	trans	-60.7	-46.7	173.2	-75.1	173.2	172	0	0	111.6	M327 K333 H334 E335	M327-E331 WeakPolarHBondContact O-CG 3.44Å; M327-E331 PolarHBondContact O-N 3.38Å; E331-K333 VanDerWaalsContact C-N 3.3Å; E331-K333 PolarHBondContact O-N 2.78Å; E331-H334 PolarHBondContact O-N 3.35Å; E331-H334 VanDerWaalsContact O-N 3.15Å; E331-E335 WeakPolarHBondContact O-CB 3.28Å; E331-E335 PolarHBondContact O-N 3.14Å
332	K	94.5	Very high	93.8	Very high	153 Å²	153	104.4 Å²	104.4	67%	0.665	52%	0.52	S	S	*	.	H	α-helix	trans	-60.2	-39.1	174.7	-74.6	174.6	-176.5	173.8	0	112.4	Q328 E329 K336	Q328-K332 WeakPolarHBondContact O-CG 3.39Å; Q328-K332 PolarHBondContact O-N 2.74Å; E329-K332 PolarHBondContact O-N 3.37Å; K332-K336 WeakPolarHBondContact O-CB 3.41Å; K332-K336 PolarHBondContact O-N 3.23Å
333	K	94	Very high	93.8	Very high	124 Å²	124	103.4 Å²	103.4	54%	0.539	52%	0.517	S	S	.	.	H	α-helix	trans	-66.1	-41.8	175.2	-73.2	167.9	-172.9	162.8	0	111.1	E329 L330 E331 K336 V337	E329-K333 VanDerWaalsContact O-CG 3.29Å; E329-K333 WeakPolarHBondContact O-CG 3.47Å; E329-K333 PolarHBondContact O-N 3.13Å; E329-K333 IonicContact OE2-NZ 2.66Å; L330-K333 PolarHBondContact O-N 3.29Å; E331-K333 VanDerWaalsContact C-N 3.3Å; E331-K333 PolarHBondContact O-N 2.78Å; K333-K336 PolarHBondContact O-N 2.93Å; K333-V337 WeakPolarHBondContact O-CG2 3.32Å; K333-V337 PolarHBondContact O-N 3.01Å
334	H	91.1	Very high	93.8	Very high	138 Å²	138	100.5 Å²	100.5	64%	0.639	50%	0.503	S	S	*	.	H	α-helix	trans	-63.3	-46.7	177.2	-170.8	70.5	0	0	0	111.7	L330 E331 K336 V337 A338	L330-H334 WeakPolarHBondContact O-CB 3.28Å; L330-H334 PolarHBondContact O-N 3.01Å; E331-H334 PolarHBondContact O-N 3.35Å; E331-H334 VanDerWaalsContact O-N 3.15Å; H334-K336 VanDerWaalsContact C-N 3.31Å; H334-K336 PolarHBondContact O-N 2.99Å; H334-V337 PolarHBondContact O-N 3.48Å; H334-A338 WeakPolarHBondContact O-CB 3.43Å; H334-A338 PolarHBondContact O-N 2.84Å
335	E	94.8	Very high	93.8	Very high	122 Å²	122	100.2 Å²	100.2	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-57.5	-44.9	175.7	-173.4	60.9	-150.7	0	0	111.2	E331 V337 A338 V339	E331-E335 WeakPolarHBondContact O-CB 3.28Å; E331-E335 PolarHBondContact O-N 3.14Å; E335-V337 PolarHBondContact O-N 3.43Å; E335-A338 PolarHBondContact O-N 3.23Å; E335-V339 WeakPolarHBondContact O-CG2 3.47Å; E335-V339 PolarHBondContact O-N 3.49Å
336	K	93.9	Very high	93.8	Very high	140 Å²	140	100.3 Å²	100.3	61%	0.609	50%	0.503	S	S	*	.	H	α-helix	trans	-61.5	-42.7	177.2	-171.1	176.4	-179	179.8	0	112.4	K332 K333 H334 Q340	K332-K336 WeakPolarHBondContact O-CB 3.41Å; K332-K336 PolarHBondContact O-N 3.23Å; K333-K336 PolarHBondContact O-N 2.93Å; H334-K336 VanDerWaalsContact C-N 3.31Å; H334-K336 PolarHBondContact O-N 2.99Å; K336-Q340 VanDerWaalsContact O-CG 3.29Å; K336-Q340 WeakPolarHBondContact O-CG 3.43Å; K336-Q340 PolarHBondContact O-N 2.87Å
337	V	93.4	Very high	93.8	Very high	87 Å²	87	102.8 Å²	102.8	53%	0.527	51%	0.507	S	S	.	.	H	α-helix	trans	-67.6	-38.5	177.1	172	0	0	0	0	111.1	K333 H334 E335 Q340 L341	K333-V337 WeakPolarHBondContact O-CG2 3.32Å; K333-V337 PolarHBondContact O-N 3.01Å; H334-V337 PolarHBondContact O-N 3.48Å; E335-V337 PolarHBondContact O-N 3.43Å; V337-Q340 PolarHBondContact O-N 3.42Å; V337-L341 WeakPolarHBondContact O-CB 3.42Å; V337-L341 PolarHBondContact O-N 2.99Å
338	A	93.3	Very high	93.8	Very high	32 Å²	32	105.1 Å²	105.1	26%	0.264	52%	0.516	S	S	.	.	H	α-helix	trans	-63.4	-44.1	176.8	0	0	0	0	0	111.9	H334 E335 Q340 L341 N342	H334-A338 WeakPolarHBondContact O-CB 3.43Å; H334-A338 PolarHBondContact O-N 2.84Å; E335-A338 PolarHBondContact O-N 3.23Å; A338-Q340 PolarHBondContact O-N 2.93Å; A338-L341 PolarHBondContact O-N 2.99Å; A338-N342 PolarHBondContact O-N 3.33Å
339	V	95.3	Very high	93.8	Very high	83 Å²	83	104.8 Å²	104.8	50%	0.503	52%	0.517	S	S	.	.	H	α-helix	trans	-61.9	-42.9	174.2	172.4	0	0	0	0	111.3	E335 L341 N342 H343	E335-V339 WeakPolarHBondContact O-CG2 3.47Å; E335-V339 PolarHBondContact O-N 3.49Å; V339-L341 VanDerWaalsContact C-N 3.35Å; V339-L341 PolarHBondContact O-N 2.92Å; V339-N342 PolarHBondContact O-N 3.01Å; V339-H343 WeakPolarHBondContact O-CB 3.41Å; V339-H343 PolarHBondContact O-N 3.21Å
340	Q	94.3	Very high	93.8	Very high	115 Å²	115	103.3 Å²	103.3	54%	0.537	52%	0.517	S	S	.	.	H	α-helix	trans	-62.4	-40.6	176.2	-75	176.1	-19.7	0	0	112.4	K336 V337 A338 H343 A344	K336-Q340 VanDerWaalsContact O-CG 3.29Å; K336-Q340 WeakPolarHBondContact O-CG 3.43Å; K336-Q340 PolarHBondContact O-N 2.87Å; V337-Q340 PolarHBondContact O-N 3.42Å; A338-Q340 PolarHBondContact O-N 2.93Å; Q340-H343 PolarHBondContact O-N 3.47Å; Q340-A344 WeakPolarHBondContact O-CB 3.29Å; Q340-A344 PolarHBondContact O-N 3.42Å
341	L	92.5	Very high	94	Very high	105 Å²	105	105.8 Å²	105.8	55%	0.55	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-42.3	177.7	-173.1	68.9	0	0	0	111.7	V337 A338 V339 A344 N345	V337-L341 WeakPolarHBondContact O-CB 3.42Å; V337-L341 PolarHBondContact O-N 2.99Å; A338-L341 PolarHBondContact O-N 2.99Å; V339-L341 VanDerWaalsContact C-N 3.35Å; V339-L341 PolarHBondContact O-N 2.92Å; L341-A344 PolarHBondContact O-N 2.87Å; L341-N345 WeakPolarHBondContact O-CB 3.47Å; L341-N345 PolarHBondContact O-N 3.45Å; L341-N345 PolarHBondContact O-ND2 2.74Å
342	N	93.5	Very high	94	Very high	96 Å²	96	105.1 Å²	105.1	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-45.9	175.5	-79.5	-19.9	0	0	0	111.6	A338 V339 A344 N345 E346	A338-N342 PolarHBondContact O-N 3.33Å; V339-N342 PolarHBondContact O-N 3.01Å; N342-A344 PolarHBondContact O-N 3.16Å; N342-N345 PolarHBondContact O-N 2.84Å; N342-E346 WeakPolarHBondContact O-CG 3.45Å; N342-E346 PolarHBondContact O-N 2.81Å
343	H	94.5	Very high	94	Very high	106 Å²	106	104.3 Å²	104.3	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-61	-45.4	177.2	-170.8	56.5	0	0	0	112.1	V339 Q340 N345 E346 E347	V339-H343 WeakPolarHBondContact O-CB 3.41Å; V339-H343 PolarHBondContact O-N 3.21Å; Q340-H343 PolarHBondContact O-N 3.47Å; H343-N345 VanDerWaalsContact C-N 3.33Å; H343-N345 PolarHBondContact O-N 3.16Å; H343-E346 PolarHBondContact O-N 3.26Å; H343-E347 IonicContact CD2-OE1 2.9Å; H343-E347 IonicContact CE1-OE1 3.57Å; H343-E347 IonicContact NE2-OE1 2.95Å; H343-E347 PolarHBondContact NE2-OE1 2.93Å; H343-E347 WeakPolarHBondContact O-CG 3.5Å; H343-E347 PolarHBondContact O-N 2.97Å
344	A	93.6	Very high	94.1	Very high	29 Å²	29	104.7 Å²	104.7	24%	0.24	52%	0.524	C	S	.	.	H	α-helix	trans	-60.5	-42.2	175.6	0	0	0	0	0	111.9	Q340 L341 N342 E346 E347 F348	Q340-A344 WeakPolarHBondContact O-CB 3.29Å; Q340-A344 PolarHBondContact O-N 3.42Å; L341-A344 PolarHBondContact O-N 2.87Å; N342-A344 PolarHBondContact O-N 3.16Å; A344-E346 PolarHBondContact O-N 3.48Å; A344-E347 PolarHBondContact O-N 3.1Å; A344-F348 HydrophobicContact CB-CD2 4.45Å; A344-F348 HydrophobicContact CB-CE2 4.26Å; A344-F348 WeakPolarHBondContact O-CB 3.49Å; A344-F348 WeakPolarHBondContact O-CD2 2.97Å; A344-F348 WeakPolarHBondContact O-CG 3.38Å; A344-F348 PolarHBondContact O-N 3.38Å
345	N	93.7	Very high	94.2	Very high	73 Å²	73	104.1 Å²	104.1	39%	0.39	52%	0.519	S	S	.	.	H	α-helix	trans	-63.2	-39.9	176.2	-78.1	-25.6	0	0	0	112.5	L341 N342 H343 F348 N349	L341-N345 WeakPolarHBondContact O-CB 3.47Å; L341-N345 PolarHBondContact O-N 3.45Å; L341-N345 PolarHBondContact O-ND2 2.74Å; N342-N345 PolarHBondContact O-N 2.84Å; H343-N345 VanDerWaalsContact C-N 3.33Å; H343-N345 PolarHBondContact O-N 3.16Å; N345-F348 PolarHBondContact O-N 2.89Å; N345-N349 VanDerWaalsContact O-CB 3.32Å; N345-N349 WeakPolarHBondContact O-CB 3.48Å; N345-N349 VanDerWaalsContact O-CG 3.24Å; N345-N349 PolarHBondContact O-N 3.12Å; N345-N349 PolarHBondContact O-ND2 3Å; N345-N349 VanDerWaalsContact O-ND2 3.14Å
346	E	94.7	Very high	94.2	Very high	122 Å²	122	103.7 Å²	103.7	57%	0.57	52%	0.517	S	S	*	.	H	α-helix	trans	-63.4	-42.9	174.7	-73.4	173.2	-179.6	0	0	111.9	N342 H343 A344 N349 S350	N342-E346 WeakPolarHBondContact O-CG 3.45Å; N342-E346 PolarHBondContact O-N 2.81Å; H343-E346 PolarHBondContact O-N 3.26Å; A344-E346 PolarHBondContact O-N 3.48Å; E346-N349 PolarHBondContact O-N 2.78Å; E346-S350 WeakPolarHBondContact O-CB 3.43Å; E346-S350 PolarHBondContact O-N 3.22Å; E346-S350 PolarHBondContact O-OG 3.4Å
347	E	95.2	Very high	94.2	Very high	117 Å²	117	99 Å²	99	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-45.4	174.6	-71.3	-173.9	159.1	0	0	111.8	H343 A344 S350 R351	H343-E347 IonicContact CD2-OE1 2.9Å; H343-E347 IonicContact CE1-OE1 3.57Å; H343-E347 IonicContact NE2-OE1 2.95Å; H343-E347 PolarHBondContact NE2-OE1 2.93Å; H343-E347 WeakPolarHBondContact O-CG 3.5Å; H343-E347 PolarHBondContact O-N 2.97Å; A344-E347 PolarHBondContact O-N 3.1Å; E347-S350 PolarHBondContact O-N 3.46Å; E347-R351 WeakPolarHBondContact O-CB 3.39Å; E347-R351 PolarHBondContact O-N 2.89Å
348	F	92.8	Very high	94.3	Very high	137 Å²	137	98.6 Å²	98.6	60%	0.601	50%	0.501	S	S	*	.	H	α-helix	trans	-62.3	-45.4	176.5	-76.2	-56.6	0	0	0	111.9	A344 N345 S350 R351 L352	A344-F348 HydrophobicContact CB-CD2 4.45Å; A344-F348 HydrophobicContact CB-CE2 4.26Å; A344-F348 WeakPolarHBondContact O-CB 3.49Å; A344-F348 WeakPolarHBondContact O-CD2 2.97Å; A344-F348 WeakPolarHBondContact O-CG 3.38Å; A344-F348 PolarHBondContact O-N 3.38Å; N345-F348 PolarHBondContact O-N 2.89Å; F348-S350 VanDerWaalsContact C-N 3.34Å; F348-S350 PolarHBondContact O-N 3.32Å; F348-R351 PolarHBondContact O-N 3.38Å; F348-L352 WeakPolarHBondContact O-CB 3.49Å; F348-L352 PolarHBondContact O-N 2.91Å
349	N	94.4	Very high	94.4	Very high	93 Å²	93	101.3 Å²	101.3	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-41.4	177.3	-76.9	-32.3	0	0	0	111.8	N345 E346 R351 L352 Q353	N345-N349 VanDerWaalsContact O-CB 3.32Å; N345-N349 WeakPolarHBondContact O-CB 3.48Å; N345-N349 VanDerWaalsContact O-CG 3.24Å; N345-N349 PolarHBondContact O-N 3.12Å; N345-N349 PolarHBondContact O-ND2 3Å; N345-N349 VanDerWaalsContact O-ND2 3.14Å; E346-N349 PolarHBondContact O-N 2.78Å; N349-R351 PolarHBondContact O-N 2.96Å; N349-L352 PolarHBondContact O-N 3.33Å; N349-Q353 WeakPolarHBondContact O-CG 3.37Å; N349-Q353 PolarHBondContact O-N 2.91Å
350	S	94.8	Very high	94.4	Very high	67 Å²	67	103.8 Å²	103.8	47%	0.469	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-44.1	175.5	-60	0	0	0	0	111.3	E346 E347 F348 Q353 L354	E346-S350 WeakPolarHBondContact O-CB 3.43Å; E346-S350 PolarHBondContact O-N 3.22Å; E346-S350 PolarHBondContact O-OG 3.4Å; E347-S350 PolarHBondContact O-N 3.46Å; F348-S350 VanDerWaalsContact C-N 3.34Å; F348-S350 PolarHBondContact O-N 3.32Å; S350-Q353 PolarHBondContact O-N 3.41Å; S350-L354 WeakPolarHBondContact O-CG 3.35Å; S350-L354 PolarHBondContact O-N 3.17Å; S350-L354 VanDerWaalsContact O-N 3.11Å
351	R	96.5	Very high	94.5	Very high	173 Å²	173	103.8 Å²	103.8	65%	0.653	51%	0.509	S	S	*	.	H	α-helix	trans	-65.8	-39	176.3	-171.7	172.8	-177.6	156.3	-0.2	112.2	E347 F348 N349 L354 K355	E347-R351 WeakPolarHBondContact O-CB 3.39Å; E347-R351 PolarHBondContact O-N 2.89Å; F348-R351 PolarHBondContact O-N 3.38Å; N349-R351 PolarHBondContact O-N 2.96Å; R351-L354 PolarHBondContact O-N 2.93Å; R351-K355 WeakPolarHBondContact O-CG 3.35Å; R351-K355 PolarHBondContact O-N 3.47Å; R351-K355 VanDerWaalsContact O-N 3.08Å
352	L	94	Very high	94.6	Very high	96 Å²	96	102.2 Å²	102.2	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-62.9	-47.9	176.7	-169.5	73.4	0	0	0	110.5	F348 N349 L354 K355 E356	F348-L352 WeakPolarHBondContact O-CB 3.49Å; F348-L352 PolarHBondContact O-N 2.91Å; N349-L352 PolarHBondContact O-N 3.33Å; L352-L354 VanDerWaalsContact C-N 3.34Å; L352-L354 PolarHBondContact O-N 3.34Å; L352-K355 CarbonylContact O-C 3.48Å; L352-K355 PolarHBondContact O-N 3.15Å; L352-K355 VanDerWaalsContact O-N 3.07Å; L352-E356 HydrophobicContact CG-CG 4.44Å; L352-E356 WeakPolarHBondContact O-CG 3.43Å; L352-E356 PolarHBondContact O-N 3.41Å
353	Q	93.5	Very high	94.7	Very high	135 Å²	135	104 Å²	104	63%	0.631	51%	0.505	S	S	*	.	H	α-helix	trans	-58.6	-42.5	176.8	-75.6	-180	-1.2	0	0	112.6	N349 S350 K355 E356 G357	N349-Q353 WeakPolarHBondContact O-CG 3.37Å; N349-Q353 PolarHBondContact O-N 2.91Å; S350-Q353 PolarHBondContact O-N 3.41Å; Q353-K355 VanDerWaalsContact C-N 3.32Å; Q353-K355 PolarHBondContact O-N 3.36Å; Q353-E356 PolarHBondContact O-N 2.96Å; Q353-G357 PolarHBondContact O-N 2.96Å
354	L	95.5	Very high	94.8	Very high	133 Å²	133	103.4 Å²	103.4	70%	0.696	51%	0.505	S	S	*	.	H	α-helix	trans	-61.1	-41.5	175.1	-72.1	173.8	0	0	0	111.8	S350 R351 L352 E358	S350-L354 WeakPolarHBondContact O-CG 3.35Å; S350-L354 PolarHBondContact O-N 3.17Å; S350-L354 VanDerWaalsContact O-N 3.11Å; R351-L354 PolarHBondContact O-N 2.93Å; L352-L354 VanDerWaalsContact C-N 3.34Å; L352-L354 PolarHBondContact O-N 3.34Å; L354-E358 PolarHBondContact O-N 2.77Å; L354-E358 VanDerWaalsContact O-N 3.08Å
355	K	93.4	Very high	95	Very high	126 Å²	126	106.6 Å²	106.6	55%	0.548	52%	0.515	S	S	.	.	H	α-helix	trans	-71.9	-38.6	177.7	-67.5	-59.3	-177.8	-173.6	0	112.6	R351 L352 Q353 G357 E358 I359	R351-K355 WeakPolarHBondContact O-CG 3.35Å; R351-K355 PolarHBondContact O-N 3.47Å; R351-K355 VanDerWaalsContact O-N 3.08Å; L352-K355 CarbonylContact O-C 3.48Å; L352-K355 PolarHBondContact O-N 3.15Å; L352-K355 VanDerWaalsContact O-N 3.07Å; Q353-K355 VanDerWaalsContact C-N 3.32Å; Q353-K355 PolarHBondContact O-N 3.36Å; K355-G357 VanDerWaalsContact C-N 3.34Å; K355-E358 PolarHBondContact O-N 3.49Å; K355-I359 WeakPolarHBondContact O-CB 3.47Å; K355-I359 VanDerWaalsContact O-CG1 3.23Å; K355-I359 WeakPolarHBondContact O-CG1 3.19Å; K355-I359 PolarHBondContact O-N 2.94Å
356	E	94.8	Very high	95	Very high	113 Å²	113	108 Å²	108	53%	0.528	52%	0.521	S	S	.	.	H	α-helix	trans	-62.2	-41.8	173.3	-74.8	-178	158	0	0	111.7	L352 Q353 I359 K360	L352-E356 HydrophobicContact CG-CG 4.44Å; L352-E356 WeakPolarHBondContact O-CG 3.43Å; L352-E356 PolarHBondContact O-N 3.41Å; Q353-E356 PolarHBondContact O-N 2.96Å; E356-I359 PolarHBondContact O-N 3.33Å; E356-K360 WeakPolarHBondContact O-CB 3.29Å; E356-K360 PolarHBondContact O-N 3.01Å
357	G	94.6	Very high	95.1	Very high	42 Å²	42	105.2 Å²	105.2	43%	0.433	52%	0.515	S	S	.	.	H	α-helix	trans	-59.4	-46.1	173.2	0	0	0	0	0	112.3	Q353 K355 K360 R361	Q353-G357 PolarHBondContact O-N 2.96Å; K355-G357 VanDerWaalsContact C-N 3.34Å; G357-K360 PolarHBondContact O-N 3.36Å; G357-R361 PolarHBondContact O-N 3.07Å
358	E	96.1	Very high	95.1	Very high	77 Å²	77	104.3 Å²	104.3	36%	0.36	51%	0.511	S	S	.	.	H	α-helix	trans	-67.1	-41	177.6	-176.9	60.1	-169.3	0	0	112.5	L354 K355 K360 R361 L362	L354-E358 PolarHBondContact O-N 2.77Å; L354-E358 VanDerWaalsContact O-N 3.08Å; K355-E358 PolarHBondContact O-N 3.49Å; E358-K360 VanDerWaalsContact C-N 3.29Å; E358-K360 PolarHBondContact O-N 3.4Å; E358-R361 WeakPolarHBondContact O-CB 3.46Å; E358-R361 PolarHBondContact O-N 3.08Å; E358-R361 IonicContact OE1-CZ 2.86Å; E358-R361 IonicContact OE1-NE 3.65Å; E358-R361 PolarHBondContact OE1-NE 3.45Å; E358-R361 IonicContact OE1-NH2 3.6Å; E358-R361 PolarHBondContact OE1-NH2 3.45Å; E358-R361 IonicContact OE2-CZ 3.82Å; E358-R361 IonicContact OE2-NE 2.78Å; E358-R361 PolarHBondContact OE2-NE 3.37Å; E358-R361 IonicContact OE2-NH2 2.91Å; E358-L362 HydrophobicContact CG-CD1 4.25Å; E358-L362 WeakPolarHBondContact O-CG 3.42Å; E358-L362 PolarHBondContact O-N 3.29Å
359	I	94.4	Very high	95.2	Very high	90 Å²	90	102.1 Å²	102.1	46%	0.462	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-42.1	174.5	-72	165.8	0	0	0	110.2	K355 E356 L362 K363	K355-I359 WeakPolarHBondContact O-CB 3.47Å; K355-I359 VanDerWaalsContact O-CG1 3.23Å; K355-I359 WeakPolarHBondContact O-CG1 3.19Å; K355-I359 PolarHBondContact O-N 2.94Å; E356-I359 PolarHBondContact O-N 3.33Å; I359-L362 PolarHBondContact O-N 2.73Å; I359-K363 HydrophobicContact CG2-CD 4.09Å; I359-K363 HydrophobicContact CG2-CG 4.47Å; I359-K363 WeakPolarHBondContact O-CB 3.35Å; I359-K363 VanDerWaalsContact O-CG 3.3Å; I359-K363 WeakPolarHBondContact O-CG 3.4Å; I359-K363 PolarHBondContact O-N 3.49Å
360	K	94.9	Very high	95.2	Very high	135 Å²	135	102.8 Å²	102.8	59%	0.587	51%	0.505	S	S	*	.	H	α-helix	trans	-62.4	-47.9	176	-173.3	-178.7	177.4	-175.5	0	111	E356 G357 E358 L362 K363 D364	E356-K360 WeakPolarHBondContact O-CB 3.29Å; E356-K360 PolarHBondContact O-N 3.01Å; G357-K360 PolarHBondContact O-N 3.36Å; E358-K360 VanDerWaalsContact C-N 3.29Å; E358-K360 PolarHBondContact O-N 3.4Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-L362 PolarHBondContact O-N 2.78Å; K360-K363 PolarHBondContact O-N 2.89Å; K360-K363 VanDerWaalsContact O-N 3.16Å; K360-D364 VanDerWaalsContact O-CG 3.3Å; K360-D364 PolarHBondContact O-N 3.41Å
361	R	96.9	Very high	95.2	Very high	114 Å²	114	105.2 Å²	105.2	43%	0.43	51%	0.507	S	S	.	.	H	α-helix	trans	-54.7	-48.1	176.2	-168.1	-166.4	69.5	68.6	1.4	111.8	G357 E358 D364 E365	G357-R361 PolarHBondContact O-N 3.07Å; E358-R361 WeakPolarHBondContact O-CB 3.46Å; E358-R361 PolarHBondContact O-N 3.08Å; E358-R361 IonicContact OE1-CZ 2.86Å; E358-R361 IonicContact OE1-NE 3.65Å; E358-R361 PolarHBondContact OE1-NE 3.45Å; E358-R361 IonicContact OE1-NH2 3.6Å; E358-R361 PolarHBondContact OE1-NH2 3.45Å; E358-R361 IonicContact OE2-CZ 3.82Å; E358-R361 IonicContact OE2-NE 2.78Å; E358-R361 PolarHBondContact OE2-NE 3.37Å; E358-R361 IonicContact OE2-NH2 2.91Å; R361-D364 PolarHBondContact O-N 2.89Å; R361-E365 IonicContact CZ-OE2 2.82Å; R361-E365 IonicContact NH1-OE2 2.97Å; R361-E365 PolarHBondContact NH1-OE2 3.3Å; R361-E365 IonicContact NH2-OE2 3.59Å; R361-E365 WeakPolarHBondContact O-CB 3.38Å; R361-E365 PolarHBondContact O-N 3.11Å
362	L	95.4	Very high	95.2	Very high	73 Å²	73	100.5 Å²	100.5	38%	0.382	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-37.1	178.5	-72.2	171.2	0	0	0	112.7	E358 I359 K360 E365 I366	E358-L362 HydrophobicContact CG-CD1 4.25Å; E358-L362 WeakPolarHBondContact O-CG 3.42Å; E358-L362 PolarHBondContact O-N 3.29Å; I359-L362 PolarHBondContact O-N 2.73Å; K360-L362 VanDerWaalsContact C-N 3.34Å; K360-L362 PolarHBondContact O-N 2.78Å; L362-E365 PolarHBondContact O-N 3.45Å; L362-I366 WeakPolarHBondContact O-CB 3.38Å; L362-I366 VanDerWaalsContact O-CG1 3.25Å; L362-I366 WeakPolarHBondContact O-CG1 3.4Å; L362-I366 PolarHBondContact O-N 2.89Å
363	K	95	Very high	95.2	Very high	133 Å²	133	103 Å²	103	58%	0.578	50%	0.499	S	S	*	.	H	α-helix	trans	-64.5	-40.9	174.3	-78.5	176.5	177.6	179.2	0	111.9	I359 K360 S367	I359-K363 HydrophobicContact CG2-CD 4.09Å; I359-K363 HydrophobicContact CG2-CG 4.47Å; I359-K363 WeakPolarHBondContact O-CB 3.35Å; I359-K363 VanDerWaalsContact O-CG 3.3Å; I359-K363 WeakPolarHBondContact O-CG 3.4Å; I359-K363 PolarHBondContact O-N 3.49Å; K360-K363 PolarHBondContact O-N 2.89Å; K360-K363 VanDerWaalsContact O-N 3.16Å; K363-S367 WeakPolarHBondContact O-CB 3.37Å; K363-S367 PolarHBondContact O-N 2.98Å; K363-S367 PolarHBondContact O-OG 2.99Å
364	D	96	Very high	95.3	Very high	93 Å²	93	101.2 Å²	101.2	50%	0.497	49%	0.494	S	S	.	.	H	α-helix	trans	-66.5	-42.4	176.8	-66.3	-19.3	0	0	0	110.4	K360 R361 S367 Q368	K360-D364 VanDerWaalsContact O-CG 3.3Å; K360-D364 PolarHBondContact O-N 3.41Å; R361-D364 PolarHBondContact O-N 2.89Å; D364-S367 WeakPolarHBondContact O-CB 3.25Å; D364-S367 PolarHBondContact O-N 3.37Å; D364-Q368 PolarHBondContact O-N 3.32Å
365	E	97.5	Very high	95.3	Very high	97 Å²	97	98.8 Å²	98.8	45%	0.453	48%	0.482	S	S	.	.	H	α-helix	trans	-61.8	-46.3	175.5	-172.2	175	177.1	0	0	112.3	R361 L362 S367 Q368 M369	R361-E365 IonicContact CZ-OE2 2.82Å; R361-E365 IonicContact NH1-OE2 2.97Å; R361-E365 PolarHBondContact NH1-OE2 3.3Å; R361-E365 IonicContact NH2-OE2 3.59Å; R361-E365 WeakPolarHBondContact O-CB 3.38Å; R361-E365 PolarHBondContact O-N 3.11Å; L362-E365 PolarHBondContact O-N 3.45Å; E365-S367 VanDerWaalsContact C-N 3.31Å; E365-S367 PolarHBondContact O-N 2.86Å; E365-Q368 PolarHBondContact O-N 2.78Å; E365-M369 WeakPolarHBondContact O-CG 3.4Å; E365-M369 PolarHBondContact O-N 2.92Å
366	I	95.5	Very high	95.4	Very high	102 Å²	102	98 Å²	98	52%	0.523	48%	0.483	S	S	.	.	H	α-helix	trans	-61.8	-40.6	175	-71.2	167.3	0	0	0	110.9	L362 M369 M370	L362-I366 WeakPolarHBondContact O-CB 3.38Å; L362-I366 VanDerWaalsContact O-CG1 3.25Å; L362-I366 WeakPolarHBondContact O-CG1 3.4Å; L362-I366 PolarHBondContact O-N 2.89Å; I366-M369 PolarHBondContact O-N 3.33Å; I366-M370 HydrophobicContact CG2-CE 3.84Å; I366-M370 HydrophobicContact CG2-SD 4.49Å; I366-M370 WeakPolarHBondContact O-CG 3.3Å; I366-M370 PolarHBondContact O-N 3.34Å
367	S	95.4	Very high	95.4	Very high	64 Å²	64	96.8 Å²	96.8	45%	0.448	48%	0.483	S	S	.	.	H	α-helix	trans	-64.4	-40.6	177.8	-59.4	0	0	0	0	111.9	K363 D364 E365 M370 K371	K363-S367 WeakPolarHBondContact O-CB 3.37Å; K363-S367 PolarHBondContact O-N 2.98Å; K363-S367 PolarHBondContact O-OG 2.99Å; D364-S367 WeakPolarHBondContact O-CB 3.25Å; D364-S367 PolarHBondContact O-N 3.37Å; E365-S367 VanDerWaalsContact C-N 3.31Å; E365-S367 PolarHBondContact O-N 2.86Å; S367-M370 PolarHBondContact O-N 3.3Å; S367-K371 PolarHBondContact O-N 3.11Å
368	Q	96	Very high	95.4	Very high	98 Å²	98	99.3 Å²	99.3	46%	0.458	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-48	174.3	-174.1	59.6	48.5	0	0	111.2	D364 E365 M370 K371 D372	D364-Q368 PolarHBondContact O-N 3.32Å; E365-Q368 PolarHBondContact O-N 2.78Å; Q368-M370 VanDerWaalsContact C-N 3.3Å; Q368-M370 PolarHBondContact O-N 2.75Å; Q368-K371 WeakPolarHBondContact O-CA 3.24Å; Q368-K371 WeakPolarHBondContact O-CB 3.44Å; Q368-K371 PolarHBondContact O-N 3.34Å; Q368-D372 PolarHBondContact NE2-OD1 3.16Å; Q368-D372 PolarHBondContact O-N 2.92Å
369	M	94.1	Very high	95.4	Very high	91 Å²	91	99 Å²	99	45%	0.448	49%	0.49	S	S	.	.	H	α-helix	trans	-57.8	-42.5	176.1	-70.7	-62.1	-59.7	0	0	111.8	E365 I366 K371 D372 Y373	E365-M369 WeakPolarHBondContact O-CG 3.4Å; E365-M369 PolarHBondContact O-N 2.92Å; I366-M369 PolarHBondContact O-N 3.33Å; M369-K371 VanDerWaalsContact C-N 3.3Å; M369-K371 PolarHBondContact O-N 2.97Å; M369-D372 PolarHBondContact O-N 3.15Å; M369-Y373 HydrophobicContact CE-CE2 3.92Å; M369-Y373 WeakPolarHBondContact O-CB 3.23Å; M369-Y373 WeakPolarHBondContact O-CD2 3.38Å; M369-Y373 PolarHBondContact O-N 2.85Å
370	M	94.9	Very high	95.5	Very high	106 Å²	106	101.4 Å²	101.4	52%	0.522	50%	0.497	S	S	.	.	H	α-helix	trans	-61.9	-36.9	175.6	-75.9	-172.2	-65.9	0	0	112.6	I366 S367 Q368 N374	I366-M370 HydrophobicContact CG2-CE 3.84Å; I366-M370 HydrophobicContact CG2-SD 4.49Å; I366-M370 WeakPolarHBondContact O-CG 3.3Å; I366-M370 PolarHBondContact O-N 3.34Å; S367-M370 PolarHBondContact O-N 3.3Å; Q368-M370 VanDerWaalsContact C-N 3.3Å; Q368-M370 PolarHBondContact O-N 2.75Å; M370-N374 VanDerWaalsContact O-CG 3.3Å; M370-N374 PolarHBondContact O-N 2.93Å; M370-N374 PolarHBondContact O-ND2 3.32Å
371	K	94.4	Very high	95.4	Very high	119 Å²	119	99.8 Å²	99.8	52%	0.517	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-49.6	174.6	-170.4	-176.5	176.5	-171.8	0	111	S367 Q368 M369 Y373 N374 D375	S367-K371 PolarHBondContact O-N 3.11Å; Q368-K371 WeakPolarHBondContact O-CA 3.24Å; Q368-K371 WeakPolarHBondContact O-CB 3.44Å; Q368-K371 PolarHBondContact O-N 3.34Å; M369-K371 VanDerWaalsContact C-N 3.3Å; M369-K371 PolarHBondContact O-N 2.97Å; K371-Y373 VanDerWaalsContact C-N 3.27Å; K371-Y373 PolarHBondContact O-N 2.93Å; K371-N374 PolarHBondContact O-N 3.38Å; K371-D375 PolarHBondContact O-N 3.47Å
372	D	97.1	Very high	95.3	Very high	74 Å²	74	99.2 Å²	99.2	40%	0.396	50%	0.498	S	S	.	.	H	α-helix	trans	-60.5	-37.9	179	-60.6	-13.1	0	0	0	111.5	Q368 M369 L376	Q368-D372 PolarHBondContact NE2-OD1 3.16Å; Q368-D372 PolarHBondContact O-N 2.92Å; M369-D372 PolarHBondContact O-N 3.15Å; D372-L376 VanDerWaalsContact O-CB 3.32Å; D372-L376 WeakPolarHBondContact O-CB 3.43Å; D372-L376 PolarHBondContact O-N 3.08Å
373	Y	94.3	Very high	95.1	Very high	147 Å²	147	100.2 Å²	100.2	58%	0.576	50%	0.503	S	S	*	.	H	α-helix	trans	-64.9	-40.8	173.3	-89	-68.7	0	0	0	112.7	M369 K371 L376 V377	M369-Y373 HydrophobicContact CE-CE2 3.92Å; M369-Y373 WeakPolarHBondContact O-CB 3.23Å; M369-Y373 WeakPolarHBondContact O-CD2 3.38Å; M369-Y373 PolarHBondContact O-N 2.85Å; K371-Y373 VanDerWaalsContact C-N 3.27Å; K371-Y373 PolarHBondContact O-N 2.93Å; Y373-L376 PolarHBondContact O-N 3.27Å; Y373-V377 VanDerWaalsContact O-CG2 3.26Å; Y373-V377 WeakPolarHBondContact O-CG2 3.3Å; Y373-V377 PolarHBondContact O-N 2.9Å
374	N	94.5	Very high	95	Very high	99 Å²	99	96.5 Å²	96.5	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-45.3	176.9	-73	-29.4	0	0	0	110.9	M370 K371 L376 V377 D378	M370-N374 VanDerWaalsContact O-CG 3.3Å; M370-N374 PolarHBondContact O-N 2.93Å; M370-N374 PolarHBondContact O-ND2 3.32Å; K371-N374 PolarHBondContact O-N 3.38Å; N374-L376 VanDerWaalsContact C-N 3.25Å; N374-L376 PolarHBondContact O-N 3.43Å; N374-V377 WeakPolarHBondContact O-CB 3.49Å; N374-V377 PolarHBondContact O-N 3.36Å; N374-D378 PolarHBondContact O-N 2.94Å
375	D	95.5	Very high	94.6	Very high	82 Å²	82	97.6 Å²	97.6	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-59.1	-39.4	175.8	-64.9	-12.4	0	0	0	110.8	K371 D378 T379	K371-D375 PolarHBondContact O-N 3.47Å; D375-D378 PolarHBondContact O-N 2.85Å; D375-T379 WeakPolarHBondContact O-CG2 3.43Å; D375-T379 PolarHBondContact O-N 2.89Å; D375-T379 PolarHBondContact O-OG1 2.91Å; D375-T379 VanDerWaalsContact O-OG1 3.05Å
376	L	96.6	Very high	94.5	Very high	110 Å²	110	97.2 Å²	97.2	58%	0.576	50%	0.495	S	S	*	.	H	α-helix	trans	-67.6	-35.6	174.3	-174.9	62.7	0	0	0	113	D372 Y373 N374 T379 K380	D372-L376 VanDerWaalsContact O-CB 3.32Å; D372-L376 WeakPolarHBondContact O-CB 3.43Å; D372-L376 PolarHBondContact O-N 3.08Å; Y373-L376 PolarHBondContact O-N 3.27Å; N374-L376 VanDerWaalsContact C-N 3.25Å; N374-L376 PolarHBondContact O-N 3.43Å; L376-T379 VanDerWaalsContact CA-OG1 3.31Å; L376-T379 WeakPolarHBondContact CA-OG1 3.3Å; L376-T379 PolarHBondContact O-OG1 3.05Å; L376-K380 WeakPolarHBondContact O-CB 3.47Å; L376-K380 PolarHBondContact O-N 3.31Å
377	V	94.8	Very high	94.2	Very high	86 Å²	86	96.4 Å²	96.4	52%	0.521	49%	0.491	S	S	.	.	H	α-helix	trans	-68.9	-40.7	175.5	167.3	0	0	0	0	110.8	Y373 N374 K380 L381	Y373-V377 VanDerWaalsContact O-CG2 3.26Å; Y373-V377 WeakPolarHBondContact O-CG2 3.3Å; Y373-V377 PolarHBondContact O-N 2.9Å; N374-V377 WeakPolarHBondContact O-CB 3.49Å; N374-V377 PolarHBondContact O-N 3.36Å; V377-K380 WeakPolarHBondContact O-CB 3.39Å; V377-K380 PolarHBondContact O-N 3.45Å; V377-L381 PolarHBondContact O-N 3.29Å
378	D	94.4	Very high	94.1	Very high	95 Å²	95	98 Å²	98	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-45.1	178.2	-72.1	-14.2	0	0	0	111.2	N374 D375 K380 L381 M382	N374-D378 PolarHBondContact O-N 2.94Å; D375-D378 PolarHBondContact O-N 2.85Å; D378-K380 VanDerWaalsContact C-N 3.35Å; D378-K380 PolarHBondContact O-N 2.8Å; D378-L381 WeakPolarHBondContact O-CB 3.33Å; D378-L381 PolarHBondContact O-N 2.85Å; D378-L381 VanDerWaalsContact O-N 3.16Å; D378-M382 WeakPolarHBondContact O-CG 3.27Å; D378-M382 PolarHBondContact O-N 3.43Å
379	T	95.5	Very high	93.7	Very high	72 Å²	72	96 Å²	96	44%	0.442	49%	0.492	S	S	.	.	H	α-helix	trans	-61.8	-41.3	173.7	50.9	0	0	0	0	111.9	D375 L376 L381 M382 L383	D375-T379 WeakPolarHBondContact O-CG2 3.43Å; D375-T379 PolarHBondContact O-N 2.89Å; D375-T379 PolarHBondContact O-OG1 2.91Å; D375-T379 VanDerWaalsContact O-OG1 3.05Å; L376-T379 VanDerWaalsContact CA-OG1 3.31Å; L376-T379 WeakPolarHBondContact CA-OG1 3.3Å; L376-T379 PolarHBondContact O-OG1 3.05Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 3.09Å; T379-M382 PolarHBondContact O-N 3.23Å; T379-L383 WeakPolarHBondContact O-CB 3.24Å; T379-L383 WeakPolarHBondContact O-CG 3.32Å; T379-L383 PolarHBondContact O-N 3.39Å
380	K	95.9	Very high	93.5	Very high	139 Å²	139	98.8 Å²	98.8	60%	0.604	50%	0.498	S	S	*	.	H	α-helix	trans	-61.1	-41.3	173.5	-177	-161	171	-175.2	0	111.8	L376 V377 D378 L383 S384	L376-K380 WeakPolarHBondContact O-CB 3.47Å; L376-K380 PolarHBondContact O-N 3.31Å; V377-K380 WeakPolarHBondContact O-CB 3.39Å; V377-K380 PolarHBondContact O-N 3.45Å; D378-K380 VanDerWaalsContact C-N 3.35Å; D378-K380 PolarHBondContact O-N 2.8Å; K380-L383 PolarHBondContact O-N 3.2Å; K380-S384 WeakPolarHBondContact O-CB 3.25Å; K380-S384 PolarHBondContact O-N 3.12Å; K380-S384 PolarHBondContact O-OG 2.91Å
381	L	93.8	Very high	93.1	Very high	102 Å²	102	100 Å²	100	53%	0.534	50%	0.497	S	S	.	.	H	α-helix	trans	-63.1	-45.7	178	-179.1	63.7	0	0	0	110.5	V377 D378 T379 S384 M385	V377-L381 PolarHBondContact O-N 3.29Å; D378-L381 WeakPolarHBondContact O-CB 3.33Å; D378-L381 PolarHBondContact O-N 2.85Å; D378-L381 VanDerWaalsContact O-N 3.16Å; T379-L381 VanDerWaalsContact C-N 3.32Å; T379-L381 PolarHBondContact O-N 3.09Å; L381-S384 WeakPolarHBondContact O-CB 3.39Å; L381-S384 PolarHBondContact O-N 2.96Å; L381-S384 VanDerWaalsContact O-N 3.16Å; L381-M385 WeakPolarHBondContact O-CG 3.49Å; L381-M385 PolarHBondContact O-N 3.44Å
382	M	94.2	Very high	92.6	Very high	102 Å²	102	98.2 Å²	98.2	50%	0.502	50%	0.496	S	S	.	.	H	α-helix	trans	-58	-49.8	174.5	-73.7	-59.7	-58.6	0	0	111.9	D378 T379 S384 M385 E386	D378-M382 WeakPolarHBondContact O-CG 3.27Å; D378-M382 PolarHBondContact O-N 3.43Å; T379-M382 PolarHBondContact O-N 3.23Å; M382-S384 VanDerWaalsContact C-N 3.26Å; M382-S384 PolarHBondContact O-N 3.42Å; M382-M385 WeakPolarHBondContact O-CB 3.39Å; M382-M385 PolarHBondContact O-N 2.94Å; M382-M385 VanDerWaalsContact O-N 3.11Å; M382-E386 WeakPolarHBondContact O-CG 3.48Å; M382-E386 PolarHBondContact O-N 2.93Å
383	L	92.4	Very high	92.2	Very high	94 Å²	94	100.5 Å²	100.5	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-60.6	-36.7	175.8	-71.1	171.5	0	0	0	112.1	T379 K380 M385 E386 I387	T379-L383 WeakPolarHBondContact O-CB 3.24Å; T379-L383 WeakPolarHBondContact O-CG 3.32Å; T379-L383 PolarHBondContact O-N 3.39Å; K380-L383 PolarHBondContact O-N 3.2Å; L383-M385 VanDerWaalsContact C-N 3.34Å; L383-E386 PolarHBondContact O-N 2.72Å; L383-I387 WeakPolarHBondContact O-CB 3.44Å; L383-I387 WeakPolarHBondContact O-CD1 3.01Å; L383-I387 WeakPolarHBondContact O-CG1 3.43Å; L383-I387 PolarHBondContact O-N 2.76Å
384	S	92.4	Very high	91.7	Very high	54 Å²	54	98.6 Å²	98.6	38%	0.378	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-38	176.7	-56.5	0	0	0	0	111.6	K380 L381 M382 E388	K380-S384 WeakPolarHBondContact O-CB 3.25Å; K380-S384 PolarHBondContact O-N 3.12Å; K380-S384 PolarHBondContact O-OG 2.91Å; L381-S384 WeakPolarHBondContact O-CB 3.39Å; L381-S384 PolarHBondContact O-N 2.96Å; L381-S384 VanDerWaalsContact O-N 3.16Å; M382-S384 VanDerWaalsContact C-N 3.26Å; M382-S384 PolarHBondContact O-N 3.42Å; S384-E388 WeakPolarHBondContact O-CB 3.04Å; S384-E388 PolarHBondContact O-N 3.25Å
385	M	88.3	Confident	91.1	Very high	116 Å²	116	99.1 Å²	99.1	57%	0.571	51%	0.506	S	S	*	.	H	α-helix	trans	-67	-41.7	173.7	-71.1	176.5	58.5	0	0	111.9	L381 M382 L383 E388 A389	L381-M385 WeakPolarHBondContact O-CG 3.49Å; L381-M385 PolarHBondContact O-N 3.44Å; M382-M385 WeakPolarHBondContact O-CB 3.39Å; M382-M385 PolarHBondContact O-N 2.94Å; M382-M385 VanDerWaalsContact O-N 3.11Å; L383-M385 VanDerWaalsContact C-N 3.34Å; M385-E388 PolarHBondContact O-N 3.32Å; M385-A389 WeakPolarHBondContact O-CB 3.31Å; M385-A389 PolarHBondContact O-N 3.46Å
386	E	93.6	Very high	90.3	Very high	89 Å²	89	97 Å²	97	42%	0.416	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-45.9	175.4	-71.6	171.7	-165.9	0	0	111.3	M382 L383 E388 A389 Y390	M382-E386 WeakPolarHBondContact O-CG 3.48Å; M382-E386 PolarHBondContact O-N 2.93Å; L383-E386 PolarHBondContact O-N 2.72Å; E386-E388 VanDerWaalsContact C-N 3.31Å; E386-E388 PolarHBondContact O-N 2.89Å; E386-A389 WeakPolarHBondContact O-CB 3.45Å; E386-A389 PolarHBondContact O-N 3.44Å; E386-Y390 HydrophobicContact CB-CE2 4.27Å; E386-Y390 WeakPolarHBondContact O-CD2 3.37Å; E386-Y390 PolarHBondContact O-N 3.46Å
387	I	90.7	Very high	89.5	Confident	86 Å²	86	94.6 Å²	94.6	44%	0.441	49%	0.49	S	S	.	.	H	α-helix	trans	-59.6	-42.9	175.6	-70.2	164	0	0	0	110.9	L383 Y390 R391	L383-I387 WeakPolarHBondContact O-CB 3.44Å; L383-I387 WeakPolarHBondContact O-CD1 3.01Å; L383-I387 WeakPolarHBondContact O-CG1 3.43Å; L383-I387 PolarHBondContact O-N 2.76Å; I387-Y390 PolarHBondContact O-N 3.45Å; I387-R391 WeakPolarHBondContact O-CG 3.33Å; I387-R391 PolarHBondContact O-N 2.91Å
388	E	92.3	Very high	88.6	Confident	98 Å²	98	94.9 Å²	94.9	46%	0.458	49%	0.485	S	S	.	.	H	α-helix	trans	-65.5	-40.3	177.9	-164.6	64.8	-168.2	0	0	111.5	S384 M385 E386 R391 T392	S384-E388 WeakPolarHBondContact O-CB 3.04Å; S384-E388 PolarHBondContact O-N 3.25Å; M385-E388 PolarHBondContact O-N 3.32Å; E386-E388 VanDerWaalsContact C-N 3.31Å; E386-E388 PolarHBondContact O-N 2.89Å; E388-R391 WeakPolarHBondContact O-CB 3.42Å; E388-R391 PolarHBondContact O-N 3.05Å; E388-R391 IonicContact OE2-NH1 2.61Å; E388-R391 PolarHBondContact OE2-NH1 2.87Å; E388-T392 WeakPolarHBondContact O-CG2 3.46Å; E388-T392 PolarHBondContact O-N 2.93Å; E388-T392 PolarHBondContact O-OG1 2.86Å
389	A	88.1	Confident	87.3	Confident	55 Å²	55	94.5 Å²	94.5	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-45.9	172.8	0	0	0	0	0	111.5	M385 E386 R391 T392 L393	M385-A389 WeakPolarHBondContact O-CB 3.31Å; M385-A389 PolarHBondContact O-N 3.46Å; E386-A389 WeakPolarHBondContact O-CB 3.45Å; E386-A389 PolarHBondContact O-N 3.44Å; A389-R391 VanDerWaalsContact C-N 3.33Å; A389-R391 PolarHBondContact O-N 3.27Å; A389-T392 PolarHBondContact O-N 2.9Å; A389-T392 PolarHBondContact O-OG1 3.23Å; A389-L393 PolarHBondContact O-N 2.83Å
390	Y	89.7	Confident	86.5	Confident	149 Å²	149	99.7 Å²	99.7	58%	0.584	50%	0.498	S	S	*	.	H	α-helix	trans	-61.7	-39.8	174.9	-71.4	-59.4	0	0	0	112.4	E386 I387 L393 L394	E386-Y390 HydrophobicContact CB-CE2 4.27Å; E386-Y390 WeakPolarHBondContact O-CD2 3.37Å; E386-Y390 PolarHBondContact O-N 3.46Å; I387-Y390 PolarHBondContact O-N 3.45Å; Y390-L393 PolarHBondContact O-N 3.37Å; Y390-L394 WeakPolarHBondContact O-CB 3.27Å; Y390-L394 VanDerWaalsContact O-CG 3.31Å; Y390-L394 WeakPolarHBondContact O-CG 3.25Å; Y390-L394 PolarHBondContact O-N 2.89Å
391	R	86.2	Confident	85.2	Confident	132 Å²	132	98 Å²	98	50%	0.498	50%	0.495	S	S	.	.	H	α-helix	trans	-59.6	-50.2	174	-78.6	176.9	176.6	165.8	-3.6	111.6	I387 E388 A389 L393 L394 E395	I387-R391 WeakPolarHBondContact O-CG 3.33Å; I387-R391 PolarHBondContact O-N 2.91Å; E388-R391 WeakPolarHBondContact O-CB 3.42Å; E388-R391 PolarHBondContact O-N 3.05Å; E388-R391 IonicContact OE2-NH1 2.61Å; E388-R391 PolarHBondContact OE2-NH1 2.87Å; A389-R391 VanDerWaalsContact C-N 3.33Å; A389-R391 PolarHBondContact O-N 3.27Å; R391-L393 VanDerWaalsContact C-N 3.29Å; R391-L393 PolarHBondContact O-N 3.47Å; R391-L394 PolarHBondContact O-N 2.64Å; R391-E395 VanDerWaalsContact O-CB 3.29Å; R391-E395 WeakPolarHBondContact O-CB 3.12Å; R391-E395 VanDerWaalsContact O-CG 3.25Å; R391-E395 WeakPolarHBondContact O-CG 3.37Å; R391-E395 PolarHBondContact O-N 3.4Å
392	T	84.1	Confident	83.3	Confident	81 Å²	81	104 Å²	104	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-36.1	179.9	58.2	0	0	0	0	112.9	E388 A389 G396	E388-T392 WeakPolarHBondContact O-CG2 3.46Å; E388-T392 PolarHBondContact O-N 2.93Å; E388-T392 PolarHBondContact O-OG1 2.86Å; A389-T392 PolarHBondContact O-N 2.9Å; A389-T392 PolarHBondContact O-OG1 3.23Å; T392-G396 PolarHBondContact O-N 3.15Å
393	L	88.2	Confident	81.2	Confident	122 Å²	122	104.8 Å²	104.8	64%	0.639	52%	0.516	S	S	*	.	H	α-helix	trans	-69.4	-42.7	177	-170.7	66.5	0	0	0	111.7	A389 Y390 R391 E397	A389-L393 PolarHBondContact O-N 2.83Å; Y390-L393 PolarHBondContact O-N 3.37Å; R391-L393 VanDerWaalsContact C-N 3.29Å; R391-L393 PolarHBondContact O-N 3.47Å; L393-E397 WeakPolarHBondContact O-CB 3.48Å; L393-E397 PolarHBondContact O-N 3.37Å
394	L	84.2	Confident	78.7	Confident	107 Å²	107	104.3 Å²	104.3	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-70.1	-45.2	177.8	-72.9	169.3	0	0	0	112	Y390 R391 G396 E397 E398	Y390-L394 WeakPolarHBondContact O-CB 3.27Å; Y390-L394 VanDerWaalsContact O-CG 3.31Å; Y390-L394 WeakPolarHBondContact O-CG 3.25Å; Y390-L394 PolarHBondContact O-N 2.89Å; R391-L394 PolarHBondContact O-N 2.64Å; L394-G396 VanDerWaalsContact C-N 3.3Å; L394-G396 PolarHBondContact O-N 2.96Å; L394-E397 CarbonylContact O-C 3.58Å; L394-E397 WeakPolarHBondContact O-CB 3.33Å; L394-E397 PolarHBondContact O-N 3.47Å; L394-E398 WeakPolarHBondContact O-CB 3.46Å; L394-E398 WeakPolarHBondContact O-CG 3.1Å; L394-E398 PolarHBondContact O-N 3.06Å
395	E	82.5	Confident	76.2	Confident	111 Å²	111	106.7 Å²	106.7	52%	0.519	53%	0.531	S	S	.	.	H	α-helix	trans	-62.7	-37.5	175.4	-70.9	172	-174	0	0	111.3	R391 E397 T399	R391-E395 VanDerWaalsContact O-CB 3.29Å; R391-E395 WeakPolarHBondContact O-CB 3.12Å; R391-E395 VanDerWaalsContact O-CG 3.25Å; R391-E395 WeakPolarHBondContact O-CG 3.37Å; R391-E395 PolarHBondContact O-N 3.4Å; E395-E397 VanDerWaalsContact C-N 3.32Å; E395-T399 WeakPolarHBondContact O-CB 3.38Å; E395-T399 WeakPolarHBondContact O-CG2 3.21Å; E395-T399 PolarHBondContact O-N 3.04Å; E395-T399 PolarHBondContact O-OG1 3.33Å
396	G	79.3	Confident	73.6	Confident	37 Å²	37	106.7 Å²	106.7	38%	0.381	54%	0.543	S	S	.	.	H	α-helix	trans	-64.2	-35.3	171.3	0	0	0	0	0	113.2	T392 L394 T399 R400	T392-G396 PolarHBondContact O-N 3.15Å; L394-G396 VanDerWaalsContact C-N 3.3Å; L394-G396 PolarHBondContact O-N 2.96Å; G396-T399 VanDerWaalsContact C-OG1 3.31Å; G396-T399 WeakPolarHBondContact CA-OG1 3.48Å; G396-T399 PolarHBondContact O-OG1 3.42Å; G396-R400 PolarHBondContact O-N 2.91Å; G396-R400 VanDerWaalsContact O-N 3.14Å
397	E	80	Confident	71.1	Confident	60 Å²	60	108 Å²	108	28%	0.28	56%	0.559	S	S	.	*	H	α-helix	trans	-77	-39.5	177.3	-168.8	56.8	-147.2	0	0	112	L393 L394 E395 T399 R400 L401	L393-E397 WeakPolarHBondContact O-CB 3.48Å; L393-E397 PolarHBondContact O-N 3.37Å; L394-E397 CarbonylContact O-C 3.58Å; L394-E397 WeakPolarHBondContact O-CB 3.33Å; L394-E397 PolarHBondContact O-N 3.47Å; E395-E397 VanDerWaalsContact C-N 3.32Å; E397-T399 VanDerWaalsContact C-N 3.33Å; E397-T399 PolarHBondContact O-N 3.33Å; E397-R400 VanDerWaalsContact CD-CZ 3.4Å; E397-R400 VanDerWaalsContact CD-NE 3.34Å; E397-R400 WeakPolarHBondContact O-CB 3.26Å; E397-R400 PolarHBondContact O-N 2.93Å; E397-R400 IonicContact OE1-CZ 3.75Å; E397-R400 IonicContact OE1-NE 3.72Å; E397-R400 PolarHBondContact OE1-NE 3.28Å; E397-R400 IonicContact OE1-NH2 3.27Å; E397-R400 PolarHBondContact OE1-NH2 2.79Å; E397-R400 IonicContact OE2-CZ 3.74Å; E397-R400 IonicContact OE2-NE 3.12Å; E397-R400 PolarHBondContact OE2-NE 2.92Å; E397-R400 VanDerWaalsContact OE2-NE 3.1Å; E397-R400 IonicContact OE2-NH1 3.47Å; E397-R400 IonicContact OE2-NH2 2.97Å; E397-R400 PolarHBondContact OE2-NH2 2.92Å; E397-L401 HydrophobicContact CG-CD1 4.16Å; E397-L401 WeakPolarHBondContact O-CB 3.45Å; E397-L401 WeakPolarHBondContact O-CG 3.36Å; E397-L401 PolarHBondContact O-N 2.95Å
398	E	74.6	Confident	68.5	Low	91 Å²	91	110.1 Å²	110.1	43%	0.425	58%	0.578	S	S	.	*	H	α-helix	trans	-62.4	-39.9	174.3	-75.8	178	-178.6	0	0	111.6	L394 L401 R402 L403	L394-E398 WeakPolarHBondContact O-CB 3.46Å; L394-E398 WeakPolarHBondContact O-CG 3.1Å; L394-E398 PolarHBondContact O-N 3.06Å; E398-L401 PolarHBondContact O-N 3.03Å; E398-R402 PolarHBondContact O-N 2.79Å; E398-R402 VanDerWaalsContact O-N 3.16Å; E398-L403 PolarHBondContact O-N 3.02Å
399	T	68.1	Low	65.5	Low	87 Å²	87	111.4 Å²	111.4	53%	0.534	60%	0.598	S	S	.	*	H	α-helix	trans	-67	-37	173	47.1	0	0	0	0	112.1	E395 G396 E397 R402	E395-T399 WeakPolarHBondContact O-CB 3.38Å; E395-T399 WeakPolarHBondContact O-CG2 3.21Å; E395-T399 PolarHBondContact O-N 3.04Å; E395-T399 PolarHBondContact O-OG1 3.33Å; G396-T399 VanDerWaalsContact C-OG1 3.31Å; G396-T399 WeakPolarHBondContact CA-OG1 3.48Å; G396-T399 PolarHBondContact O-OG1 3.42Å; E397-T399 VanDerWaalsContact C-N 3.33Å; E397-T399 PolarHBondContact O-N 3.33Å; T399-R402 PolarHBondContact O-N 3.4Å
400	R	77.3	Confident	62.6	Low	182 Å²	182	111.7 Å²	111.7	69%	0.687	61%	0.606	S	S	*	*	H	α-helix	trans	-63.8	-41.3	173.1	-174.6	173.2	80.6	174.5	7.3	112.6	G396 E397 R402	G396-R400 PolarHBondContact O-N 2.91Å; G396-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 VanDerWaalsContact CD-CZ 3.4Å; E397-R400 VanDerWaalsContact CD-NE 3.34Å; E397-R400 WeakPolarHBondContact O-CB 3.26Å; E397-R400 PolarHBondContact O-N 2.93Å; E397-R400 IonicContact OE1-CZ 3.75Å; E397-R400 IonicContact OE1-NE 3.72Å; E397-R400 PolarHBondContact OE1-NE 3.28Å; E397-R400 IonicContact OE1-NH2 3.27Å; E397-R400 PolarHBondContact OE1-NH2 2.79Å; E397-R400 IonicContact OE2-CZ 3.74Å; E397-R400 IonicContact OE2-NE 3.12Å; E397-R400 PolarHBondContact OE2-NE 2.92Å; E397-R400 VanDerWaalsContact OE2-NE 3.1Å; E397-R400 IonicContact OE2-NH1 3.47Å; E397-R400 IonicContact OE2-NH2 2.97Å; E397-R400 PolarHBondContact OE2-NH2 2.92Å; R400-R402 VanDerWaalsContact C-N 3.28Å; R400-R402 PolarHBondContact O-N 2.87Å
401	L	69.5	Low	59.5	Low	102 Å²	102	111.2 Å²	111.2	53%	0.534	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.6	2	-178.7	-68.8	170.9	0	0	0	113.7	E397 E398 L403	E397-L401 HydrophobicContact CG-CD1 4.16Å; E397-L401 WeakPolarHBondContact O-CB 3.45Å; E397-L401 WeakPolarHBondContact O-CG 3.36Å; E397-L401 PolarHBondContact O-N 2.95Å; E398-L401 PolarHBondContact O-N 3.03Å; L401-L403 HydrophobicContact CB-CD1 3.81Å; L401-L403 HydrophobicContact CB-CG 3.89Å; L401-L403 HydrophobicContact CD1-CD1 4.04Å; L401-L403 PolarHBondContact O-N 2.84Å; L401-L403 VanDerWaalsContact O-N 3.16Å
402	R	52.9	Low	56.8	Low	230 Å²	230	109.3 Å²	109.3	87%	0.868	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.2	34.9	-172.1	-66.1	-167.8	171.8	-164.2	-1.1	112.7	E398 T399 R400	E398-R402 PolarHBondContact O-N 2.79Å; E398-R402 VanDerWaalsContact O-N 3.16Å; T399-R402 PolarHBondContact O-N 3.4Å; R400-R402 VanDerWaalsContact C-N 3.28Å; R400-R402 PolarHBondContact O-N 2.87Å
403	L	51.5	Low	54.2	Low	118 Å²	118	109.4 Å²	109.4	62%	0.618	65%	0.648	S	S	*	*			trans	-85.4	-1.2	175.5	-70.8	171.1	0	0	0	112.1	E398 L401 P405	E398-L403 PolarHBondContact O-N 3.02Å; L401-L403 HydrophobicContact CB-CD1 3.81Å; L401-L403 HydrophobicContact CB-CG 3.89Å; L401-L403 HydrophobicContact CD1-CD1 4.04Å; L401-L403 PolarHBondContact O-N 2.84Å; L401-L403 VanDerWaalsContact O-N 3.16Å; L403-P405 WeakPolarHBondContact O-CD 3.49Å; L403-P405 VanDerWaalsContact O-N 3.12Å
404	T	39	Very low	51.4	Low	84 Å²	84	109.5 Å²	109.5	52%	0.515	66%	0.659	S	S	.	*			trans	-61.1	107.4	-173.2	-40.7	0	0	0	0	112.5
405	P	39.7	Very low	48.8	Very low	104 Å²	104	113.2 Å²	113.2	68%	0.675	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-79	137.6	168	-1.5	23.1	0	0	0	108.4	L403	L403-P405 WeakPolarHBondContact O-CD 3.49Å; L403-P405 VanDerWaalsContact O-N 3.12Å
406	S	35	Very low	46.1	Very low	116 Å²	116	117.9 Å²	117.9	81%	0.811	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-63	147.6	179.6	-65.2	0	0	0	0	112.6
407	P	41.1	Very low	43.8	Very low	117 Å²	117	124.6 Å²	124.6	76%	0.76	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-86	147.6	-169.3	33.8	-34.1	0	0	0	113
408	P	35.4	Very low	41.4	Very low	129 Å²	129	126.1 Å²	126.1	84%	0.838	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-78.4	125.2	149.3	25.7	-17	0	0	0	110.1
409	S	28.9	Very low	39.2	Very low	125 Å²	125	131 Å²	131	87%	0.874	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-63.4	149	165.2	172.5	0	0	0	0	112.4
410	G	27.1	Very low	37.2	Very low	61 Å²	61	136.6 Å²	136.6	63%	0.629	77%	0.77	S	S	*	*			trans	103.5	133	161.8	0	0	0	0	0	114.4
411	T	25.8	Very low	34.8	Very low	140 Å²	140	137.7 Å²	137.7	86%	0.859	77%	0.774	S	S	*	*			cis	-166	143.8	5.8	6.1	0	0	0	0	107
412	A	29.6	Very low	32.8	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	79%	0.79	S	S	*	*			trans	47.6	102.8	145.2	0	0	0	0	0	117.6
413	G	29	Very low	31.7	Very low	82 Å²	82	138.7 Å²	138.7	85%	0.845	78%	0.78	S	S	*	*			trans	-49.7	142.3	155.1	0	0	0	0	0	111.3
414	S	29	Very low	30.7	Very low	125 Å²	125	140.5 Å²	140.5	87%	0.874	79%	0.789	S	S	*	*			trans	-129.1	123.4	158.1	-133.7	0	0	0	0	108.4
415	K	28.8	Very low	30.2	Very low	185 Å²	185	143.7 Å²	143.7	80%	0.804	80%	0.798	S	S	*	*			trans	-56.8	141.7	-171.6	-69.1	167.2	175.5	172.9	0	110.3	H417	K415-H417 PolarHBondContact O-N 3.48Å
416	K	27.2	Very low	29.8	Very low	208 Å²	208	141.9 Å²	141.9	90%	0.904	80%	0.798	S	S	*	*			trans	-40.5	109.3	152.3	-65.2	171.5	177.9	172.7	0	109
417	H	30.2	Very low	29.6	Very low	179 Å²	179	141 Å²	141	83%	0.829	79%	0.788	S	S	*	*			trans	-108.2	120.2	151.8	-92.8	-66.4	0	0	0	108.3	K415 K419	K415-H417 PolarHBondContact O-N 3.48Å; H417-K419 PolarHBondContact O-N 3.47Å
418	A	29.4	Very low	29.1	Very low	92 Å²	92	142.8 Å²	142.8	76%	0.76	79%	0.791	S	S	*	*			trans	-56.8	130.9	-172.6	0	0	0	0	0	111.9	K420	A418-K420 VanDerWaalsContact C-N 3.33Å; A418-K420 PolarHBondContact O-N 2.94Å
419	K	27.6	Very low	29	Very low	194 Å²	194	141 Å²	141	84%	0.843	78%	0.782	S	S	*	*			trans	-62	90.5	162.8	-156.9	170.8	-170.6	172.9	0	107.9	H417 R421	H417-K419 PolarHBondContact O-N 3.47Å; K419-R421 PolarHBondContact O-N 3.45Å
420	K	26.5	Very low	29.2	Very low	204 Å²	204	143.4 Å²	143.4	89%	0.887	78%	0.779	S	S	*	*			trans	-70.7	87.9	162.6	-101.8	-177.2	177.4	178.2	0	107.6	A418 R422	A418-K420 VanDerWaalsContact C-N 3.33Å; A418-K420 PolarHBondContact O-N 2.94Å; K420-R422 PolarHBondContact O-N 2.86Å; K420-R422 VanDerWaalsContact O-N 3.15Å
421	R	27	Very low	29.7	Very low	204 Å²	204	148.8 Å²	148.8	77%	0.77	79%	0.788	S	S	*	*			trans	-60.8	105.2	157.8	-87.4	168	53.7	128.7	-5.3	107.1	K419 L423	K419-R421 PolarHBondContact O-N 3.45Å; R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 2.69Å; R421-L423 VanDerWaalsContact O-N 3.09Å
422	R	28	Very low	30.7	Very low	230 Å²	230	147.3 Å²	147.3	87%	0.868	78%	0.779	S	S	*	*			trans	-75.1	91.9	161.7	-163.6	173.9	-178.1	-174.9	-1.2	106	K420 L424	K420-R422 PolarHBondContact O-N 2.86Å; K420-R422 VanDerWaalsContact O-N 3.15Å; R422-L424 PolarHBondContact O-N 2.83Å; R422-L424 VanDerWaalsContact O-N 3.12Å
423	L	30.7	Very low	32	Very low	124 Å²	124	147.3 Å²	147.3	65%	0.649	77%	0.766	S	S	*	*			trans	-59.9	106.7	165.5	-179.8	67.5	0	0	0	106.1	R421 Q425	R421-L423 VanDerWaalsContact C-N 3.28Å; R421-L423 PolarHBondContact O-N 2.69Å; R421-L423 VanDerWaalsContact O-N 3.09Å; L423-Q425 PolarHBondContact O-N 3.32Å
424	L	30.4	Very low	34	Very low	155 Å²	155	148.2 Å²	148.2	81%	0.812	75%	0.751	S	S	*	*			trans	-68.4	87.3	168.1	-103.3	81.6	0	0	0	107	R422 G426	R422-L424 PolarHBondContact O-N 2.83Å; R422-L424 VanDerWaalsContact O-N 3.12Å; L424-G426 PolarHBondContact O-N 3.01Å
425	Q	28.8	Very low	36.6	Very low	152 Å²	152	145 Å²	145	71%	0.71	72%	0.72	S	S	*	*			trans	-81.4	80.5	161.5	-163.4	157	13.1	0	0	106	L423 T427	L423-Q425 PolarHBondContact O-N 3.32Å; Q425-T427 PolarHBondContact O-N 2.88Å; Q425-T427 VanDerWaalsContact O-N 3.15Å
426	G	29.6	Very low	39.2	Very low	66 Å²	66	142 Å²	142	68%	0.68	71%	0.709	S	S	*	*			trans	-80.5	73.6	166.5	0	0	0	0	0	108.2	L424	L424-G426 PolarHBondContact O-N 3.01Å
427	T	31.6	Very low	41.9	Very low	96 Å²	96	134.9 Å²	134.9	59%	0.589	69%	0.686	S	S	*	*			trans	-93.6	97.3	153.4	45.5	0	0	0	0	104.5	Q425 S429	Q425-T427 PolarHBondContact O-N 2.88Å; Q425-T427 VanDerWaalsContact O-N 3.15Å; T427-S429 PolarHBondContact O-N 2.89Å; T427-S429 PolarHBondContact O-OG 3.32Å
428	D	30.6	Very low	44.7	Very low	156 Å²	156	131.3 Å²	131.3	83%	0.834	67%	0.669	S	S	*	*			trans	-55.3	88.2	164.9	-66.5	-33.3	0	0	0	106.7	E430	D428-E430 PolarHBondContact O-N 3.02Å
429	S	32.4	Very low	47.6	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	66%	0.658	S	S	*	*			trans	-81.2	101.1	166.9	-56.3	0	0	0	0	102.7	T427 E431	T427-S429 PolarHBondContact O-N 2.89Å; T427-S429 PolarHBondContact O-OG 3.32Å; S429-E431 PolarHBondContact O-N 2.91Å
430	E	34.6	Very low	50.4	Low	176 Å²	176	123.5 Å²	123.5	82%	0.822	64%	0.637	S	S	*	*			trans	-57.7	88.2	164.2	-66.9	-177.7	156.2	0	0	106.5	D428 T432	D428-E430 PolarHBondContact O-N 3.02Å; E430-T432 PolarHBondContact O-N 2.89Å
431	E	36.7	Very low	53.4	Low	174 Å²	174	114.8 Å²	114.8	81%	0.813	60%	0.603	S	S	*	*			trans	-62.2	87.9	167.2	-86.4	-174	151.4	0	0	106.1	S429 D433	S429-E431 PolarHBondContact O-N 2.91Å; E431-D433 PolarHBondContact O-N 3.03Å; E431-D433 VanDerWaalsContact O-N 3.12Å
432	T	46.7	Very low	56.2	Low	109 Å²	109	110.6 Å²	110.6	67%	0.669	60%	0.6	S	S	*	*			trans	-71.3	102.7	166.8	-56.5	0	0	0	0	105.7	E430 L434	E430-T432 PolarHBondContact O-N 2.89Å; T432-L434 PolarHBondContact O-N 3.39Å
433	D	56.4	Low	58.9	Low	92 Å²	92	100.7 Å²	100.7	49%	0.492	57%	0.57	S	S	.	*			trans	-57.3	102.5	174.8	-80.2	-34.3	0	0	0	109.6	E431 Y435 Q548	E431-D433 PolarHBondContact O-N 3.03Å; E431-D433 VanDerWaalsContact O-N 3.12Å; D433-Y435 HydrophobicContact CB-CD2 4.44Å; D433-Y435 HydrophobicContact CB-CE2 3.88Å; D433-Y435 WeakPolarHBondContact O-CD2 3.48Å; D433-Q548 PolarHBondContact OD1-NE2 3.5Å; D433-Q548 PolarHBondContact OD2-NE2 3.06Å
434	L	72.9	Confident	61.8	Low	102 Å²	102	97.1 Å²	97.1	53%	0.534	55%	0.552	S	S	.	*			trans	-77.8	126.2	179.1	-78.1	158.9	0	0	0	109.5	T432 Q548 I549	T432-L434 PolarHBondContact O-N 3.39Å; L434-Q548 CarbonylContact O-C 3.57Å; L434-Q548 WeakPolarHBondContact O-CA 3.45Å; L434-I549 HydrophobicContact CB-CB 4.49Å; L434-I549 PolarHBondContact O-N 3.24Å
435	Y	81.6	Confident	64.8	Low	57 Å²	57	89.8 Å²	89.8	22%	0.224	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.8	174.7	-76.2	-100.5	0	0	0	110.5	D433 V452 I529 S547 Q548	D433-Y435 HydrophobicContact CB-CD2 4.44Å; D433-Y435 HydrophobicContact CB-CE2 3.88Å; D433-Y435 WeakPolarHBondContact O-CD2 3.48Å; Y435-V452 HydrophobicContact CD1-CB 4.49Å; Y435-V452 HydrophobicContact CD1-CG1 3.91Å; Y435-V452 HydrophobicContact CD2-CB 4.11Å; Y435-V452 HydrophobicContact CD2-CG1 3.87Å; Y435-V452 HydrophobicContact CD2-CG2 4.23Å; Y435-V452 HydrophobicContact CE1-CB 4.43Å; Y435-V452 HydrophobicContact CE1-CG1 4.33Å; Y435-V452 HydrophobicContact CE2-CB 4.06Å; Y435-V452 HydrophobicContact CE2-CG1 4.29Å; Y435-V452 HydrophobicContact CE2-CG2 4.23Å; Y435-V452 HydrophobicContact CG-CB 4.33Å; Y435-V452 HydrophobicContact CG-CG1 3.67Å; Y435-I529 HydrophobicContact CE1-CD1 4.26Å; Y435-S547 CarbonylContact C-O 3.59Å; Y435-S547 WeakPolarHBondContact CA-O 3.2Å; Y435-Q548 HydrophobicContact CD1-CB 4.12Å; Y435-Q548 HydrophobicContact CE1-CB 3.76Å; Y435-Q548 HydrophobicContact CE1-CG 4.46Å; Y435-Q548 HydrophobicContact CE2-CB 4.47Å; Y435-Q548 HydrophobicContact CE2-CG 4.33Å
436	E	84.1	Confident	67.9	Low	121 Å²	121	85.7 Å²	85.7	57%	0.565	49%	0.494	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	126.5	167.5	-162.6	166.9	-165.5	0	0	109.1	S546 S547 I549	E436-S546 CarbonylContact O-C 3.57Å; E436-S546 VanDerWaalsContact O-CA 3.27Å; E436-S546 WeakPolarHBondContact O-CA 3.47Å; E436-S547 PolarHBondContact N-O 2.94Å; E436-S547 PolarHBondContact O-N 3.26Å; E436-I549 HydrophobicContact CB-CD1 3.79Å; E436-I549 HydrophobicContact CB-CG1 3.91Å
437	S	85.3	Confident	71	Confident	60 Å²	60	82.9 Å²	82.9	42%	0.42	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.1	-176.9	-64.8	0	0	0	0	111.5	Q545 S546	S437-Q545 CarbonylContact C-O 3.58Å; S437-Q545 WeakPolarHBondContact CA-O 3.46Å; S437-S546 PolarHBondContact OG-OG 3.31Å
438	E	87.3	Confident	73.8	Confident	104 Å²	104	79.5 Å²	79.5	49%	0.486	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	143	171	-66.1	173.4	178.3	0	0	109.2	W543 R544 Q545	E438-W543 HydrophobicContact CB-CH2 3.97Å; E438-W543 HydrophobicContact CB-CZ3 3.92Å; E438-R544 CarbonylContact O-C 3.55Å; E438-R544 VanDerWaalsContact O-CA 3.27Å; E438-R544 WeakPolarHBondContact O-CA 3.23Å; E438-R544 WeakPolarHBondContact O-CG 3.36Å; E438-Q545 PolarHBondContact N-O 3.45Å; E438-Q545 PolarHBondContact O-N 2.93Å
439	A	90	Very high	76.8	Confident	62 Å²	62	74.2 Å²	74.2	51%	0.512	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	148	177	0	0	0	0	0	111.4	W543 R544	A439-W543 CarbonylContact C-O 3.57Å; A439-W543 VanDerWaalsContact CA-O 3.28Å; A439-W543 WeakPolarHBondContact CA-O 3.44Å; A439-R544 HydrophobicContact CB-CB 4.14Å; A439-R544 HydrophobicContact CB-CG 4.05Å
440	S	88.1	Confident	79.6	Confident	59 Å²	59	70.1 Å²	70.1	41%	0.413	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	146.1	173.1	-176.1	0	0	0	0	110.1	A542 W543	S440-A542 CarbonylContact O-C 3.58Å; S440-A542 VanDerWaalsContact O-CA 3.29Å; S440-A542 WeakPolarHBondContact O-CA 3.31Å; S440-W543 PolarHBondContact N-O 3.16Å; S440-W543 PolarHBondContact O-N 3.05Å
441	A	88.8	Confident	82.4	Confident	22 Å²	22	62.3 Å²	62.3	18%	0.182	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	111.9	178.8	0	0	0	0	0	110.1	Q446 K462 V541 A542	A441-Q446 HydrophobicContact CB-CB 3.53Å; A441-K462 PolarHBondContact O-NZ 3.45Å; A441-V541 CarbonylContact C-O 3.53Å; A441-V541 WeakPolarHBondContact CA-O 3.5Å; A441-A542 HydrophobicContact CB-CB 3.87Å
442	T	86.1	Confident	84.8	Confident	115 Å²	115	56.1 Å²	56.1	71%	0.706	32%	0.324	S	S	*	.	S	Bend	trans	-77.9	-31.7	178	37.8	0	0	0	0	112.1	V541	T442-V541 PolarHBondContact N-O 3.04Å; T442-V541 WeakPolarHBondContact OG1-CA 3.36Å; T442-V541 PolarHBondContact OG1-O 3Å
443	G	85.2	Confident	86.7	Confident	23 Å²	23	57 Å²	57	24%	0.237	32%	0.321	C	S	.	.	S	Bend	trans	-98.6	-168.6	-178.9	0	0	0	0	0	114.8	V445 K462 V541	G443-V445 VanDerWaalsContact C-N 3.25Å; G443-V445 PolarHBondContact O-N 3.44Å; G443-K462 WeakPolarHBondContact O-CE 3.32Å; G443-K462 PolarHBondContact O-NZ 2.87Å; G443-V541 PolarHBondContact N-O 3.45Å
444	D	91.5	Very high	88.3	Confident	49 Å²	49	52.8 Å²	52.8	26%	0.262	30%	0.299	S	S	.	.	S	Bend	trans	-71	-15	-178.4	-68.7	-22.9	0	0	0	114.5	N461 K462 R465 V467	D444-N461 PolarHBondContact O-OD1 3.05Å; D444-K462 WeakPolarHBondContact O-CG 3.46Å; D444-K462 PolarHBondContact O-N 3.32Å; D444-R465 IonicContact OD1-NH2 3.44Å; D444-R465 IonicContact OD2-CZ 2.81Å; D444-R465 IonicContact OD2-NE 3.32Å; D444-R465 PolarHBondContact OD2-NE 2.95Å; D444-R465 IonicContact OD2-NH2 3.71Å; D444-R465 PolarHBondContact OD2-NH2 2.9Å; D444-V467 HydrophobicContact CB-CG2 3.75Å
445	V	92.2	Very high	89.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.2	-176.4	-177.9	0	0	0	0	109	G443 L459 F460 V467 L469 W472 L493 L533 A542	G443-V445 VanDerWaalsContact C-N 3.25Å; G443-V445 PolarHBondContact O-N 3.44Å; V445-L459 HydrophobicContact CG1-CB 4.19Å; V445-F460 WeakPolarHBondContact CA-O 3.46Å; V445-V467 HydrophobicContact CG2-CB 4.01Å; V445-V467 HydrophobicContact CG2-CG1 3.66Å; V445-V467 HydrophobicContact CG2-CG2 4.13Å; V445-L469 HydrophobicContact CG1-CD2 4.48Å; V445-L469 HydrophobicContact CG2-CD2 4.13Å; V445-W472 HydrophobicContact CB-CZ3 4.25Å; V445-W472 HydrophobicContact CG2-CZ3 4.43Å; V445-L493 HydrophobicContact CG1-CD2 4.31Å; V445-L533 HydrophobicContact CB-CD2 4.27Å; V445-L533 HydrophobicContact CG1-CD2 3.78Å; V445-A542 WeakPolarHBondContact O-CB 3.4Å
446	Q	94.7	Very high	89.8	Confident	66 Å²	66	52.8 Å²	52.8	31%	0.308	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.8	176.4	69	-178.7	16.5	0	0	111.4	A441 S448 L459 F460	A441-Q446 HydrophobicContact CB-CB 3.53Å; Q446-S448 PolarHBondContact O-N 3.47Å; Q446-L459 CarbonylContact O-C 3.56Å; Q446-L459 WeakPolarHBondContact O-CA 3.38Å; Q446-F460 HydrophobicContact CG-CB 4.07Å; Q446-F460 HydrophobicContact CG-CD1 4.15Å; Q446-F460 PolarHBondContact N-O 3.33Å; Q446-F460 PolarHBondContact O-N 2.9Å
447	I	94.1	Very high	90.3	Very high	7 Å²	7	47 Å²	47	4%	0.036	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	96.1	168.6	-56.7	173.6	0	0	0	107.1	D449 V457 M458 L459 L474 T531 L533 A542 R544	I447-D449 VanDerWaalsContact C-N 3.32Å; I447-V457 HydrophobicContact CG2-CG1 3.96Å; I447-M458 CarbonylContact C-O 3.47Å; I447-M458 WeakPolarHBondContact CA-O 3.43Å; I447-L459 HydrophobicContact CB-CD2 4.38Å; I447-L459 HydrophobicContact CG1-CD2 3.7Å; I447-L474 HydrophobicContact CD1-CD1 4.26Å; I447-T531 HydrophobicContact CD1-CG2 4Å; I447-T531 VanDerWaalsContact CD1-O 3.29Å; I447-T531 WeakPolarHBondContact CD1-O 3.48Å; I447-L533 HydrophobicContact CD1-CB 4.35Å; I447-A542 HydrophobicContact CG1-CB 4.22Å; I447-R544 HydrophobicContact CB-CB 4.1Å; I447-R544 HydrophobicContact CG2-CB 3.9Å; I447-R544 PolarHBondContact O-NE 2.96Å
448	S	91.6	Very high	90.8	Very high	25 Å²	25	46 Å²	46	18%	0.175	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-33.9	-177.2	61.1	0	0	0	0	112.2	Q446 M458 R544	Q446-S448 PolarHBondContact O-N 3.47Å; S448-M458 PolarHBondContact N-O 2.94Å; S448-M458 WeakPolarHBondContact OG-CG 3.37Å; S448-M458 PolarHBondContact OG-O 3.31Å; S448-R544 PolarHBondContact O-NH2 3.35Å
449	D	92.5	Very high	91.1	Very high	46 Å²	46	41 Å²	41	25%	0.246	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	152.7	177.5	-164.2	23	0	0	0	112.6	I447 Y456 M458 R544	I447-D449 VanDerWaalsContact C-N 3.32Å; D449-Y456 HydrophobicContact CB-CE2 4.23Å; D449-Y456 VanDerWaalsContact OD2-CE2 3.3Å; D449-Y456 WeakPolarHBondContact OD2-CE2 3.37Å; D449-Y456 PolarHBondContact OD2-OH 3.46Å; D449-M458 HydrophobicContact CB-CB 4.17Å; D449-M458 PolarHBondContact N-O 3.16Å; D449-M458 PolarHBondContact O-N 3.11Å; D449-R544 IonicContact OD1-NH1 3.89Å; D449-R544 PolarHBondContact OD1-NH1 3.26Å
450	H	91.7	Very high	91.4	Very high	4 Å²	4	40 Å²	40	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	128.8	166.9	68	173.5	0	0	0	109.9	V452 V457 T531 R544 S546	H450-V452 PolarHBondContact O-N 3.32Å; H450-V457 HydrophobicContact CB-CG1 4.4Å; H450-V457 HydrophobicContact CB-CG2 4.13Å; H450-T531 PolarHBondContact ND1-OG1 3.33Å; H450-R544 WeakPolarHBondContact CD2-CD 3.31Å; H450-R544 PolarHBondContact CE1-O 3.33Å; H450-R544 WeakPolarHBondContact NE2-CG 3.19Å; H450-S546 PolarHBondContact CD2-OG 3.24Å; H450-S546 WeakPolarHBondContact NE2-CB 3.22Å; H450-S546 PolarHBondContact NE2-OG 3.44Å
451	D	92.1	Very high	91.7	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.064	20%	0.195	C	C	.	.			trans	-74.4	129.2	-174.9	-177.3	54	0	0	0	110.2	E453 G454 R455 Y456 R476	D451-E453 PolarHBondContact O-N 3.19Å; D451-E453 WeakPolarHBondContact OD2-CB 3.3Å; D451-G454 PolarHBondContact O-N 2.9Å; D451-G454 PolarHBondContact OD2-N 3.49Å; D451-R455 HydrophobicContact CB-CB 4.42Å; D451-R455 IonicContact OD1-CZ 2.81Å; D451-R455 IonicContact OD1-NE 2.84Å; D451-R455 IonicContact OD1-NH2 3.21Å; D451-R455 PolarHBondContact OD1-NH2 2.88Å; D451-R455 WeakPolarHBondContact OD2-CB 3.31Å; D451-R455 VanDerWaalsContact OD2-CG 3.24Å; D451-R455 WeakPolarHBondContact OD2-CG 3.31Å; D451-R455 IonicContact OD2-CZ 2.8Å; D451-R455 PolarHBondContact OD2-N 3.37Å; D451-R455 IonicContact OD2-NE 2.91Å; D451-R455 PolarHBondContact OD2-NE 3.39Å; D451-R455 IonicContact OD2-NH2 3.54Å; D451-Y456 HydrophobicContact CB-CD1 3.78Å; D451-Y456 HydrophobicContact CB-CD2 4.37Å; D451-Y456 HydrophobicContact CB-CE1 3.74Å; D451-Y456 HydrophobicContact CB-CE2 4.32Å; D451-Y456 HydrophobicContact CB-CG 4.09Å; D451-Y456 PolarHBondContact N-O 2.87Å; D451-R476 VanDerWaalsContact O-CZ 3.29Å; D451-R476 PolarHBondContact O-NH1 2.88Å; D451-R476 PolarHBondContact O-NH2 3.02Å
452	V	88.1	Confident	91.8	Very high	43 Å²	43	40.6 Å²	40.6	26%	0.261	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-30	-179.8	-65.4	0	0	0	0	111.6	Y435 H450 G454 V525 I529	Y435-V452 HydrophobicContact CD1-CB 4.49Å; Y435-V452 HydrophobicContact CD1-CG1 3.91Å; Y435-V452 HydrophobicContact CD2-CB 4.11Å; Y435-V452 HydrophobicContact CD2-CG1 3.87Å; Y435-V452 HydrophobicContact CD2-CG2 4.23Å; Y435-V452 HydrophobicContact CE1-CB 4.43Å; Y435-V452 HydrophobicContact CE1-CG1 4.33Å; Y435-V452 HydrophobicContact CE2-CB 4.06Å; Y435-V452 HydrophobicContact CE2-CG1 4.29Å; Y435-V452 HydrophobicContact CE2-CG2 4.23Å; Y435-V452 HydrophobicContact CG-CB 4.33Å; Y435-V452 HydrophobicContact CG-CG1 3.67Å; H450-V452 PolarHBondContact O-N 3.32Å; V452-G454 VanDerWaalsContact C-N 3.26Å; V452-G454 PolarHBondContact O-N 2.84Å; V452-V525 WeakPolarHBondContact O-CG1 3.41Å; V452-I529 HydrophobicContact CB-CD1 4.34Å
453	E	87	Confident	91.9	Very high	128 Å²	128	35.7 Å²	35.7	60%	0.598	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.1	174.3	-55.8	179.2	163.2	0	0	113.2	D451 R455 V525	D451-E453 PolarHBondContact O-N 3.19Å; D451-E453 WeakPolarHBondContact OD2-CB 3.3Å; E453-R455 IonicContact OE2-CZ 3.07Å; E453-R455 IonicContact OE2-NE 3.45Å; E453-R455 PolarHBondContact OE2-NE 2.8Å; E453-R455 IonicContact OE2-NH1 3.32Å; E453-R455 PolarHBondContact OE2-NH1 3.45Å; E453-R455 IonicContact OE2-NH2 2.72Å; E453-R455 PolarHBondContact OE2-NH2 2.72Å; E453-V525 VanDerWaalsContact O-CG1 3.32Å; E453-V525 WeakPolarHBondContact O-CG1 3.47Å
454	G	89.3	Confident	92.2	Very high	4 Å²	4	41.4 Å²	41.4	4%	0.041	20%	0.202	C	C	.	.	S	Bend	trans	78.7	16.5	172.2	0	0	0	0	0	114.9	D451 V452 S503 W523	D451-G454 PolarHBondContact O-N 2.9Å; D451-G454 PolarHBondContact OD2-N 3.49Å; V452-G454 VanDerWaalsContact C-N 3.26Å; V452-G454 PolarHBondContact O-N 2.84Å; G454-S503 WeakPolarHBondContact O-CB 3.35Å; G454-S503 PolarHBondContact O-OG 3.47Å; G454-W523 WeakPolarHBondContact O-CB 3.45Å
455	R	91	Very high	92.3	Very high	116 Å²	116	46.3 Å²	46.3	44%	0.438	22%	0.217	S	C	.	.	S	Bend	trans	-74.1	-35.7	178.6	-61.7	173.7	-68.2	-170.4	-5.1	112.9	D451 E453 W502 S503	D451-R455 HydrophobicContact CB-CB 4.42Å; D451-R455 IonicContact OD1-CZ 2.81Å; D451-R455 IonicContact OD1-NE 2.84Å; D451-R455 IonicContact OD1-NH2 3.21Å; D451-R455 PolarHBondContact OD1-NH2 2.88Å; D451-R455 WeakPolarHBondContact OD2-CB 3.31Å; D451-R455 VanDerWaalsContact OD2-CG 3.24Å; D451-R455 WeakPolarHBondContact OD2-CG 3.31Å; D451-R455 IonicContact OD2-CZ 2.8Å; D451-R455 PolarHBondContact OD2-N 3.37Å; D451-R455 IonicContact OD2-NE 2.91Å; D451-R455 PolarHBondContact OD2-NE 3.39Å; D451-R455 IonicContact OD2-NH2 3.54Å; E453-R455 IonicContact OE2-CZ 3.07Å; E453-R455 IonicContact OE2-NE 3.45Å; E453-R455 PolarHBondContact OE2-NE 2.8Å; E453-R455 IonicContact OE2-NH1 3.32Å; E453-R455 PolarHBondContact OE2-NH1 3.45Å; E453-R455 IonicContact OE2-NH2 2.72Å; E453-R455 PolarHBondContact OE2-NH2 2.72Å; R455-W502 WeakPolarHBondContact O-CA 3.32Å; R455-S503 PolarHBondContact O-N 3.33Å; R455-S503 PolarHBondContact O-OG 3.13Å
456	Y	94.5	Very high	92.3	Very high	43 Å²	43	50.8 Å²	50.8	17%	0.169	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	164.3	-176.9	67.2	-95.6	0	0	0	115.1	D449 D451 M458 T500 V501 W502	D449-Y456 HydrophobicContact CB-CE2 4.23Å; D449-Y456 VanDerWaalsContact OD2-CE2 3.3Å; D449-Y456 WeakPolarHBondContact OD2-CE2 3.37Å; D449-Y456 PolarHBondContact OD2-OH 3.46Å; D451-Y456 HydrophobicContact CB-CD1 3.78Å; D451-Y456 HydrophobicContact CB-CD2 4.37Å; D451-Y456 HydrophobicContact CB-CE1 3.74Å; D451-Y456 HydrophobicContact CB-CE2 4.32Å; D451-Y456 HydrophobicContact CB-CG 4.09Å; D451-Y456 PolarHBondContact N-O 2.87Å; Y456-M458 HydrophobicContact CD2-CB 4.41Å; Y456-M458 HydrophobicContact CD2-CE 4.38Å; Y456-M458 HydrophobicContact CE2-CE 4.08Å; Y456-T500 HydrophobicContact CD2-CG2 4.06Å; Y456-T500 HydrophobicContact CG-CG2 4.06Å; Y456-V501 CarbonylContact C-O 3.58Å; Y456-V501 WeakPolarHBondContact CA-O 3.46Å; Y456-W502 HydrophobicContact CD1-CE3 4.25Å; Y456-W502 HydrophobicContact CD1-CH2 4.05Å; Y456-W502 AromaticContact CD1-CZ3 3.65Å; Y456-W502 HydrophobicContact CD1-CZ3 3.65Å; Y456-W502 HydrophobicContact CG-CE3 4.35Å; Y456-W502 HydrophobicContact CG-CH2 4.4Å; Y456-W502 HydrophobicContact CG-CZ3 4.09Å
457	V	95.6	Very high	92.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133	164.3	178.1	0	0	0	0	108.3	I447 H450 L474 T500 V501 W523 T531	I447-V457 HydrophobicContact CG2-CG1 3.96Å; H450-V457 HydrophobicContact CB-CG1 4.4Å; H450-V457 HydrophobicContact CB-CG2 4.13Å; V457-L474 HydrophobicContact CB-CD2 3.75Å; V457-L474 HydrophobicContact CG1-CD1 4.11Å; V457-L474 HydrophobicContact CG1-CD2 3.58Å; V457-L474 HydrophobicContact CG1-CG 4.36Å; V457-L474 HydrophobicContact CG2-CD2 4.27Å; V457-T500 CarbonylContact O-C 3.6Å; V457-T500 WeakPolarHBondContact O-CA 3.4Å; V457-V501 PolarHBondContact N-O 2.94Å; V457-V501 PolarHBondContact O-N 3.23Å; V457-W523 HydrophobicContact CB-CZ2 4.37Å; V457-W523 HydrophobicContact CG2-CD2 4.11Å; V457-W523 HydrophobicContact CG2-CG 4.42Å; V457-W523 HydrophobicContact CG2-CZ2 4Å; V457-T531 HydrophobicContact CG1-CG2 3.9Å; V457-T531 HydrophobicContact CG2-CG2 4.09Å
458	M	95.4	Very high	92.1	Very high	37 Å²	37	51.7 Å²	51.7	18%	0.182	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.7	-174.9	-165.1	178.9	-62.3	0	0	111.3	I447 S448 D449 Y456 K498 L499	I447-M458 CarbonylContact C-O 3.47Å; I447-M458 WeakPolarHBondContact CA-O 3.43Å; S448-M458 PolarHBondContact N-O 2.94Å; S448-M458 WeakPolarHBondContact OG-CG 3.37Å; S448-M458 PolarHBondContact OG-O 3.31Å; D449-M458 HydrophobicContact CB-CB 4.17Å; D449-M458 PolarHBondContact N-O 3.16Å; D449-M458 PolarHBondContact O-N 3.11Å; Y456-M458 HydrophobicContact CD2-CB 4.41Å; Y456-M458 HydrophobicContact CD2-CE 4.38Å; Y456-M458 HydrophobicContact CE2-CE 4.08Å; M458-K498 HydrophobicContact CG-CB 4.34Å; M458-K498 HydrophobicContact SD-CB 4.39Å; M458-K498 HydrophobicContact SD-CD 3.72Å; M458-K498 HydrophobicContact SD-CG 4.46Å; M458-L499 CarbonylContact C-O 3.58Å; M458-L499 WeakPolarHBondContact CA-O 3.25Å
459	L	94.7	Very high	92.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	144.2	174.8	-59.5	-176	0	0	0	110.2	V445 Q446 I447 L469 L474 F487 K498 L499 L533	V445-L459 HydrophobicContact CG1-CB 4.19Å; Q446-L459 CarbonylContact O-C 3.56Å; Q446-L459 WeakPolarHBondContact O-CA 3.38Å; I447-L459 HydrophobicContact CB-CD2 4.38Å; I447-L459 HydrophobicContact CG1-CD2 3.7Å; L459-L469 HydrophobicContact CD1-CD1 4.32Å; L459-L474 HydrophobicContact CD2-CD1 4.33Å; L459-F487 HydrophobicContact CD1-CE2 3.85Å; L459-F487 HydrophobicContact CD1-CZ 3.55Å; L459-K498 CarbonylContact O-C 3.54Å; L459-K498 VanDerWaalsContact O-CA 3.24Å; L459-K498 WeakPolarHBondContact O-CA 3.43Å; L459-L499 PolarHBondContact N-O 3Å; L459-L499 PolarHBondContact O-N 2.89Å; L459-L533 HydrophobicContact CD1-CD1 4.19Å; L459-L533 HydrophobicContact CD1-CD2 4.27Å; L459-L533 HydrophobicContact CD2-CD2 4.1Å
460	F	95	Very high	92	Very high	40 Å²	40	49.2 Å²	49.2	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129.4	175.9	177.3	-109	0	0	0	110.2	V445 Q446 K462 N496 K498	V445-F460 WeakPolarHBondContact CA-O 3.46Å; Q446-F460 HydrophobicContact CG-CB 4.07Å; Q446-F460 HydrophobicContact CG-CD1 4.15Å; Q446-F460 PolarHBondContact N-O 3.33Å; Q446-F460 PolarHBondContact O-N 2.9Å; F460-K462 HydrophobicContact CD1-CB 4.14Å; F460-K462 HydrophobicContact CE1-CB 3.94Å; F460-N496 HydrophobicContact CE2-CB 4.47Å; F460-N496 HydrophobicContact CZ-CB 4.45Å; F460-K498 HydrophobicContact CB-CG 4.32Å; F460-K498 HydrophobicContact CD2-CD 4.49Å; F460-K498 HydrophobicContact CD2-CG 3.59Å; F460-K498 HydrophobicContact CE2-CG 4.41Å; F460-K498 HydrophobicContact CG-CG 4.4Å
461	N	94.1	Very high	91.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.8	170.6	-179.6	1.7	0	0	0	109	D444 S463 R465 V467 L493 K494 N496 K497	D444-N461 PolarHBondContact O-OD1 3.05Å; N461-S463 VanDerWaalsContact C-N 3.35Å; N461-S463 WeakPolarHBondContact OD1-CB 3.42Å; N461-S463 PolarHBondContact OD1-N 2.66Å; N461-S463 PolarHBondContact OD1-OG 2.8Å; N461-R465 PolarHBondContact ND2-O 2.91Å; N461-V467 WeakPolarHBondContact ND2-CG2 3.36Å; N461-L493 HydrophobicContact CB-CD2 3.7Å; N461-L493 HydrophobicContact CB-CG 3.73Å; N461-L493 PolarHBondContact ND2-O 3.19Å; N461-K494 PolarHBondContact ND2-O 3.46Å; N461-N496 WeakPolarHBondContact O-CA 3.43Å; N461-N496 PolarHBondContact O-N 3.44Å; N461-N496 VanDerWaalsContact O-N 3.11Å; N461-K497 PolarHBondContact N-O 3.42Å
462	K	91.2	Very high	92	Very high	94 Å²	94	50.8 Å²	50.8	41%	0.409	25%	0.252	S	S	.	.			trans	-87.6	-3.9	178.6	57.3	169.8	178	-176.4	0	113.2	A441 G443 D444 F460	A441-K462 PolarHBondContact O-NZ 3.45Å; G443-K462 WeakPolarHBondContact O-CE 3.32Å; G443-K462 PolarHBondContact O-NZ 2.87Å; D444-K462 WeakPolarHBondContact O-CG 3.46Å; D444-K462 PolarHBondContact O-N 3.32Å; F460-K462 HydrophobicContact CD1-CB 4.14Å; F460-K462 HydrophobicContact CE1-CB 3.94Å
463	S	89	Confident	92.4	Very high	13 Å²	13	49.4 Å²	49.4	9%	0.091	24%	0.244	C	C	.	.	S	Bend	trans	-86.7	167.9	176.4	75.8	0	0	0	0	112.2	N461 R465 P495	N461-S463 VanDerWaalsContact C-N 3.35Å; N461-S463 WeakPolarHBondContact OD1-CB 3.42Å; N461-S463 PolarHBondContact OD1-N 2.66Å; N461-S463 PolarHBondContact OD1-OG 2.8Å; S463-R465 VanDerWaalsContact C-N 3.32Å; S463-R465 WeakPolarHBondContact OG-CG 3.5Å; S463-R465 PolarHBondContact OG-N 3.4Å; S463-R465 PolarHBondContact OG-O 3.49Å; S463-R465 VanDerWaalsContact OG-O 3.12Å; S463-P495 WeakPolarHBondContact O-CB 3.33Å
464	D	90.9	Very high	92.8	Very high	143 Å²	143	43.3 Å²	43.3	77%	0.765	22%	0.216	S	C	*	.	S	Bend	trans	-89.6	4.7	173.7	62.3	-15	0	0	0	113.2	P495	D464-P495 VanDerWaalsContact C-CG 3.48Å; D464-P495 VanDerWaalsContact O-CG 3.28Å; D464-P495 WeakPolarHBondContact O-CG 3.48Å
465	R	93.2	Very high	93.1	Very high	152 Å²	152	45.6 Å²	45.6	57%	0.574	22%	0.223	S	C	*	.	S	Bend	trans	-120.3	156.6	-179	62	-179.1	-180	-169.8	-1.9	113.4	D444 N461 S463 V467	D444-R465 IonicContact OD1-NH2 3.44Å; D444-R465 IonicContact OD2-CZ 2.81Å; D444-R465 IonicContact OD2-NE 3.32Å; D444-R465 PolarHBondContact OD2-NE 2.95Å; D444-R465 IonicContact OD2-NH2 3.71Å; D444-R465 PolarHBondContact OD2-NH2 2.9Å; N461-R465 PolarHBondContact ND2-O 2.91Å; S463-R465 VanDerWaalsContact C-N 3.32Å; S463-R465 WeakPolarHBondContact OG-CG 3.5Å; S463-R465 PolarHBondContact OG-N 3.4Å; S463-R465 PolarHBondContact OG-O 3.49Å; S463-R465 VanDerWaalsContact OG-O 3.12Å; R465-V467 PolarHBondContact O-N 3.36Å
466	D	93.2	Very high	93.3	Very high	94 Å²	94	40.1 Å²	40.1	50%	0.503	20%	0.203	S	C	.	.			trans	-66.4	125.4	173.2	-80.7	-3.4	0	0	0	109.9	V492 K494 P495	D466-V492 HydrophobicContact CB-CG1 3.67Å; D466-K494 WeakPolarHBondContact OD1-CA 3.35Å; D466-P495 WeakPolarHBondContact OD1-CD 3.41Å
467	V	92.1	Very high	93.2	Very high	16 Å²	16	42.7 Å²	42.7	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.7	176.7	-179.8	0	0	0	0	109.6	D444 V445 N461 R465 L469 W472 V492 L493	D444-V467 HydrophobicContact CB-CG2 3.75Å; V445-V467 HydrophobicContact CG2-CB 4.01Å; V445-V467 HydrophobicContact CG2-CG1 3.66Å; V445-V467 HydrophobicContact CG2-CG2 4.13Å; N461-V467 WeakPolarHBondContact ND2-CG2 3.36Å; R465-V467 PolarHBondContact O-N 3.36Å; V467-L469 HydrophobicContact CG1-CD2 4.25Å; V467-L469 PolarHBondContact O-N 2.84Å; V467-W472 HydrophobicContact CG1-CH2 4.43Å; V467-W472 HydrophobicContact CG1-CZ2 4.38Å; V467-V492 WeakPolarHBondContact O-CA 3.39Å; V467-L493 PolarHBondContact N-O 3.5Å; V467-L493 PolarHBondContact O-N 3.18Å
468	S	93.1	Very high	93	Very high	76 Å²	76	43 Å²	43	53%	0.531	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	110.1	175.1	-64.4	0	0	0	0	110	G470 W472 I491	S468-G470 PolarHBondContact O-N 2.82Å; S468-W472 PolarHBondContact O-NE1 3.01Å; S468-I491 CarbonylContact C-O 3.58Å
469	L	91.3	Very high	92.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.251	C	S	.	.			trans	-83.8	11.1	177.8	-63.2	178.5	0	0	0	112.6	V445 L459 V467 G471 W472 F487 I491 L493 L499	V445-L469 HydrophobicContact CG1-CD2 4.48Å; V445-L469 HydrophobicContact CG2-CD2 4.13Å; L459-L469 HydrophobicContact CD1-CD1 4.32Å; V467-L469 HydrophobicContact CG1-CD2 4.25Å; V467-L469 PolarHBondContact O-N 2.84Å; L469-G471 PolarHBondContact O-N 3.48Å; L469-W472 HydrophobicContact CD2-CD2 3.87Å; L469-W472 HydrophobicContact CD2-CE3 3.67Å; L469-W472 HydrophobicContact CD2-CG 4.38Å; L469-W472 HydrophobicContact CD2-CZ3 4Å; L469-W472 WeakPolarHBondContact O-CB 3.4Å; L469-W472 PolarHBondContact O-N 3.39Å; L469-W472 VanDerWaalsContact O-N 3.11Å; L469-F487 HydrophobicContact CB-CB 4.4Å; L469-F487 HydrophobicContact CB-CG 4.31Å; L469-F487 WeakPolarHBondContact O-CB 3.49Å; L469-I491 HydrophobicContact CB-CG2 4.2Å; L469-I491 HydrophobicContact CD1-CG2 4.35Å; L469-I491 PolarHBondContact N-O 2.78Å; L469-L493 HydrophobicContact CD1-CB 3.91Å; L469-L493 HydrophobicContact CD1-CD2 4.16Å; L469-L493 HydrophobicContact CG-CB 4.2Å; L469-L499 HydrophobicContact CD1-CD1 4.08Å
470	G	89	Confident	91.6	Very high	19 Å²	19	49.5 Å²	49.5	20%	0.196	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	120.4	-176.7	0	0	0	0	0	112.3	S468 W472 P489	S468-G470 PolarHBondContact O-N 2.82Å; G470-W472 VanDerWaalsContact C-N 3.26Å; G470-W472 PolarHBondContact O-N 3.38Å; G470-P489 VanDerWaalsContact CA-CA 3.46Å; G470-P489 WeakPolarHBondContact CA-O 3.24Å
471	G	90	Very high	91.3	Very high	14 Å²	14	53.9 Å²	53.9	14%	0.144	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-5	179.5	0	0	0	0	0	115.3	L469 F487	L469-G471 PolarHBondContact O-N 3.48Å; G471-F487 PolarHBondContact N-O 2.78Å
472	W	95.1	Very high	91.3	Very high	34 Å²	34	58 Å²	58	13%	0.129	33%	0.334	C	S	.	.			trans	-67.4	150.5	175.5	-68.9	40.6	0	0	0	110.3	V445 V467 S468 L469 G470 F487 L533 F534 T535 V541	V445-W472 HydrophobicContact CB-CZ3 4.25Å; V445-W472 HydrophobicContact CG2-CZ3 4.43Å; V467-W472 HydrophobicContact CG1-CH2 4.43Å; V467-W472 HydrophobicContact CG1-CZ2 4.38Å; S468-W472 PolarHBondContact O-NE1 3.01Å; L469-W472 HydrophobicContact CD2-CD2 3.87Å; L469-W472 HydrophobicContact CD2-CE3 3.67Å; L469-W472 HydrophobicContact CD2-CG 4.38Å; L469-W472 HydrophobicContact CD2-CZ3 4Å; L469-W472 WeakPolarHBondContact O-CB 3.4Å; L469-W472 PolarHBondContact O-N 3.39Å; L469-W472 VanDerWaalsContact O-N 3.11Å; G470-W472 VanDerWaalsContact C-N 3.26Å; G470-W472 PolarHBondContact O-N 3.38Å; W472-F487 HydrophobicContact CB-CD2 4.05Å; W472-F487 WeakPolarHBondContact O-CD2 3.15Å; W472-F487 PolarHBondContact O-N 2.96Å; W472-L533 HydrophobicContact CE3-CD1 3.99Å; W472-L533 HydrophobicContact CE3-CD2 3.66Å; W472-L533 HydrophobicContact CE3-CG 3.69Å; W472-L533 HydrophobicContact CZ3-CD2 3.62Å; W472-L533 HydrophobicContact CZ3-CG 4.04Å; W472-F534 CarbonylContact C-O 3.58Å; W472-F534 VanDerWaalsContact CA-O 3.29Å; W472-F534 WeakPolarHBondContact CA-O 3.19Å; W472-F534 WeakPolarHBondContact CB-O 3.46Å; W472-T535 HydrophobicContact CH2-CG2 4.35Å; W472-T535 HydrophobicContact CZ2-CG2 4.1Å; W472-V541 HydrophobicContact CE3-CG2 4.14Å; W472-V541 HydrophobicContact CH2-CG2 3.96Å; W472-V541 HydrophobicContact CZ3-CG2 3.5Å; W472-V541 VanDerWaalsContact CZ3-CG2 3.5Å
473	T	95.2	Very high	91.5	Very high	15 Å²	15	54.8 Å²	54.8	9%	0.092	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	122.6	-178.2	-55.8	0	0	0	0	110.5	A484 Y485 F534	T473-A484 HydrophobicContact CG2-CB 3.93Å; T473-Y485 CarbonylContact C-O 3.48Å; T473-Y485 WeakPolarHBondContact CA-O 3.47Å; T473-F534 PolarHBondContact N-O 3.16Å; T473-F534 PolarHBondContact O-N 2.79Å
474	L	95.5	Very high	91.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.9	172.8	-175.1	68.9	0	0	0	109.3	I447 V457 L459 A484 Y485 F487 V501 W523 T531 L533	I447-L474 HydrophobicContact CD1-CD1 4.26Å; V457-L474 HydrophobicContact CB-CD2 3.75Å; V457-L474 HydrophobicContact CG1-CD1 4.11Å; V457-L474 HydrophobicContact CG1-CD2 3.58Å; V457-L474 HydrophobicContact CG1-CG 4.36Å; V457-L474 HydrophobicContact CG2-CD2 4.27Å; L459-L474 HydrophobicContact CD2-CD1 4.33Å; L474-A484 CarbonylContact O-C 3.57Å; L474-A484 WeakPolarHBondContact O-CA 3.5Å; L474-Y485 PolarHBondContact N-O 3.37Å; L474-Y485 PolarHBondContact O-N 2.88Å; L474-F487 HydrophobicContact CB-CE2 4.11Å; L474-V501 HydrophobicContact CD2-CB 4.2Å; L474-V501 HydrophobicContact CD2-CG2 4.11Å; L474-W523 HydrophobicContact CB-CH2 4.39Å; L474-W523 HydrophobicContact CD2-CH2 3.64Å; L474-W523 HydrophobicContact CD2-CZ2 3.66Å; L474-W523 HydrophobicContact CG-CH2 3.94Å; L474-W523 HydrophobicContact CG-CZ2 4.45Å; L474-T531 HydrophobicContact CD1-CG2 3.69Å; L474-T531 HydrophobicContact CG-CG2 4.16Å; L474-L533 HydrophobicContact CB-CD1 4.34Å; L474-L533 HydrophobicContact CD1-CB 4.32Å; L474-L533 HydrophobicContact CD1-CD1 4.12Å
475	R	95.7	Very high	92	Very high	52 Å²	52	51.5 Å²	51.5	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.5	-171	-177.1	-166.2	-67.4	-128.4	16.9	109.8	E482 V483 A484 T531 S532 F534 E538	R475-E482 WeakPolarHBondContact CD-OE1 3.2Å; R475-E482 HydrophobicContact CG-CG 4Å; R475-E482 VanDerWaalsContact CG-OE1 3.24Å; R475-E482 WeakPolarHBondContact CG-OE1 3.17Å; R475-E482 IonicContact CZ-OE1 3.69Å; R475-E482 IonicContact NE-OE1 2.66Å; R475-E482 IonicContact NH1-OE1 3.59Å; R475-E482 PolarHBondContact NH1-OE1 3.31Å; R475-V483 CarbonylContact C-O 3.59Å; R475-V483 WeakPolarHBondContact CA-O 3.4Å; R475-A484 HydrophobicContact CG-CB 4.49Å; R475-T531 CarbonylContact O-C 3.59Å; R475-T531 WeakPolarHBondContact O-CA 3.43Å; R475-S532 PolarHBondContact N-O 2.78Å; R475-S532 PolarHBondContact O-N 3.37Å; R475-F534 HydrophobicContact CB-CD2 4.12Å; R475-F534 HydrophobicContact CB-CE2 3.9Å; R475-F534 HydrophobicContact CG-CE2 4.42Å; R475-E538 IonicContact NH2-OE2 3.33Å; R475-E538 PolarHBondContact NH2-OE2 2.81Å
476	R	95.4	Very high	92	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.4	178.1	-174.4	172.1	161.9	154.1	5.2	110.3	D451 E482 V483 W523 P524 I529 R530 T531	D451-R476 VanDerWaalsContact O-CZ 3.29Å; D451-R476 PolarHBondContact O-NH1 2.88Å; D451-R476 PolarHBondContact O-NH2 3.02Å; R476-E482 WeakPolarHBondContact O-CA 2.99Å; R476-V483 PolarHBondContact N-O 2.85Å; R476-V483 PolarHBondContact O-N 3.32Å; R476-W523 HydrophobicContact CB-CE3 3.59Å; R476-W523 HydrophobicContact CB-CZ3 3.83Å; R476-W523 HydrophobicContact CG-CE3 4.4Å; R476-P524 HydrophobicContact CB-CG 4.25Å; R476-P524 HydrophobicContact CG-CG 4.02Å; R476-P524 PolarHBondContact NE-O 2.99Å; R476-P524 PolarHBondContact NH2-O 2.61Å; R476-P524 WeakPolarHBondContact O-CG 3.41Å; R476-I529 HydrophobicContact CG-CG2 3.98Å; R476-I529 VanDerWaalsContact NE-CG2 3.28Å; R476-R530 CarbonylContact C-O 3.59Å; R476-R530 WeakPolarHBondContact CA-O 3.42Å; R476-T531 HydrophobicContact CB-CG2 4.3Å; R476-T531 WeakPolarHBondContact CG-OG1 3.47Å
477	K	93.6	Very high	92	Very high	97 Å²	97	46.9 Å²	46.9	42%	0.422	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.6	178.8	-57.1	-169.9	-164.9	-138.2	0	110.4	Q481 E482 R530	K477-Q481 WeakPolarHBondContact CA-O 3.42Å; K477-E482 HydrophobicContact CD-CG 4.35Å; K477-E482 WeakPolarHBondContact CE-OE1 3.18Å; K477-E482 WeakPolarHBondContact CE-OE2 3.36Å; K477-E482 HydrophobicContact CG-CB 4.06Å; K477-E482 HydrophobicContact CG-CG 3.81Å; K477-E482 IonicContact NZ-OE1 3.56Å; K477-E482 PolarHBondContact NZ-OE1 3.25Å; K477-E482 VanDerWaalsContact NZ-OE1 3.13Å; K477-E482 IonicContact NZ-OE2 3.5Å; K477-E482 PolarHBondContact NZ-OE2 3.42Å; K477-R530 PolarHBondContact N-O 3.31Å; K477-R530 PolarHBondContact O-N 3.27Å
478	S	89.5	Confident	92	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	135.7	169.4	-163.4	0	0	0	0	111.3	G480 Q481 G526 K528	S478-G480 PolarHBondContact O-N 3.22Å; S478-Q481 PolarHBondContact N-O 2.93Å; S478-Q481 PolarHBondContact O-N 2.9Å; S478-G526 WeakPolarHBondContact OG-CA 3.48Å; S478-G526 PolarHBondContact OG-N 3.44Å; S478-K528 WeakPolarHBondContact CB-O 3.47Å; S478-K528 PolarHBondContact OG-O 3.39Å
479	G	79	Confident	91.8	Very high	88 Å²	88	52.5 Å²	52.5	91%	0.907	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	17.9	172	0	0	0	0	0	116.7
480	G	83.4	Confident	91.6	Very high	86 Å²	86	61 Å²	61	89%	0.887	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.5	-7.2	-174.8	0	0	0	0	0	115	S478	S478-G480 PolarHBondContact O-N 3.22Å
481	Q	88.4	Confident	91.7	Very high	132 Å²	132	60.9 Å²	60.9	62%	0.617	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	139.7	171	-66.9	-178.7	-22.5	0	0	110.8	K477 S478 P524	K477-Q481 WeakPolarHBondContact CA-O 3.42Å; S478-Q481 PolarHBondContact N-O 2.93Å; S478-Q481 PolarHBondContact O-N 2.9Å; Q481-P524 HydrophobicContact CB-CB 3.93Å
482	E	93.2	Very high	91.8	Very high	87 Å²	87	63 Å²	63	41%	0.407	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.6	179.2	176.9	169.4	178.4	0	0	110	R475 R476 K477	R475-E482 WeakPolarHBondContact CD-OE1 3.2Å; R475-E482 HydrophobicContact CG-CG 4Å; R475-E482 VanDerWaalsContact CG-OE1 3.24Å; R475-E482 WeakPolarHBondContact CG-OE1 3.17Å; R475-E482 IonicContact CZ-OE1 3.69Å; R475-E482 IonicContact NE-OE1 2.66Å; R475-E482 IonicContact NH1-OE1 3.59Å; R475-E482 PolarHBondContact NH1-OE1 3.31Å; R476-E482 WeakPolarHBondContact O-CA 2.99Å; K477-E482 HydrophobicContact CD-CG 4.35Å; K477-E482 WeakPolarHBondContact CE-OE1 3.18Å; K477-E482 WeakPolarHBondContact CE-OE2 3.36Å; K477-E482 HydrophobicContact CG-CB 4.06Å; K477-E482 HydrophobicContact CG-CG 3.81Å; K477-E482 IonicContact NZ-OE1 3.56Å; K477-E482 PolarHBondContact NZ-OE1 3.25Å; K477-E482 VanDerWaalsContact NZ-OE1 3.13Å; K477-E482 IonicContact NZ-OE2 3.5Å; K477-E482 PolarHBondContact NZ-OE2 3.42Å
483	V	95.5	Very high	91.7	Very high	27 Å²	27	61.6 Å²	61.6	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.6	176.2	174.8	0	0	0	0	108.6	R475 R476 M518 Q521 W523 P524	R475-V483 CarbonylContact C-O 3.59Å; R475-V483 WeakPolarHBondContact CA-O 3.4Å; R476-V483 PolarHBondContact N-O 2.85Å; R476-V483 PolarHBondContact O-N 3.32Å; V483-M518 HydrophobicContact CG1-SD 4.2Å; V483-Q521 HydrophobicContact CG1-CB 4.2Å; V483-W523 HydrophobicContact CB-CE3 4.32Å; V483-W523 HydrophobicContact CB-CZ3 4.43Å; V483-W523 HydrophobicContact CG1-CE3 4.17Å; V483-W523 HydrophobicContact CG1-CZ3 4.12Å; V483-P524 HydrophobicContact CB-CG 4.5Å; V483-P524 HydrophobicContact CG2-CG 4.34Å
484	A	94.8	Very high	91.6	Very high	49 Å²	49	67.2 Å²	67.2	41%	0.405	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.3	-178.9	0	0	0	0	0	110.7	T473 L474 R475	T473-A484 HydrophobicContact CG2-CB 3.93Å; L474-A484 CarbonylContact O-C 3.57Å; L474-A484 WeakPolarHBondContact O-CA 3.5Å; R475-A484 HydrophobicContact CG-CB 4.49Å
485	Y	94.9	Very high	91.4	Very high	37 Å²	37	69 Å²	69	15%	0.145	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.1	176.8	178.9	-99.3	0	0	0	110.1	T473 L474 F487 V501 F516 M518	T473-Y485 CarbonylContact C-O 3.48Å; T473-Y485 WeakPolarHBondContact CA-O 3.47Å; L474-Y485 PolarHBondContact N-O 3.37Å; L474-Y485 PolarHBondContact O-N 2.88Å; Y485-F487 HydrophobicContact CD1-CD1 4.41Å; Y485-F487 HydrophobicContact CD1-CE1 4.2Å; Y485-F487 HydrophobicContact CD1-CE2 4.39Å; Y485-F487 HydrophobicContact CD1-CZ 4.19Å; Y485-F487 AromaticContact CE1-CD1 3.78Å; Y485-F487 HydrophobicContact CE1-CD1 3.78Å; Y485-F487 AromaticContact CE1-CE1 3.71Å; Y485-F487 HydrophobicContact CE1-CE1 3.71Å; Y485-F487 HydrophobicContact CE1-CG 4.27Å; Y485-F487 HydrophobicContact CE1-CZ 4.17Å; Y485-V501 HydrophobicContact CD1-CG1 3.74Å; Y485-V501 HydrophobicContact CD1-CG2 4.11Å; Y485-V501 HydrophobicContact CD2-CG1 4.22Å; Y485-V501 HydrophobicContact CE1-CG1 3.96Å; Y485-V501 HydrophobicContact CE1-CG2 4.09Å; Y485-V501 HydrophobicContact CE2-CG1 4.41Å; Y485-V501 HydrophobicContact CG-CG1 3.88Å; Y485-F516 HydrophobicContact CE1-CB 4.44Å; Y485-F516 WeakPolarHBondContact OH-CD1 3.26Å; Y485-M518 HydrophobicContact CD2-CG 3.68Å; Y485-M518 HydrophobicContact CD2-SD 4.33Å; Y485-M518 HydrophobicContact CE2-CG 4.22Å; Y485-M518 HydrophobicContact CG-CG 4.29Å
486	K	93.8	Very high	91.3	Very high	146 Å²	146	71.5 Å²	71.5	64%	0.635	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	127	179.6	-171.2	167	-175.1	167.5	0	110.9
487	F	93.6	Very high	91.2	Very high	3 Å²	3	76.8 Å²	76.8	1%	0.013	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-73.5	140.4	177.8	-73.1	-77.1	0	0	0	111.6	L459 L469 G471 W472 L474 Y485 I491 L499 V501 L533	L459-F487 HydrophobicContact CD1-CE2 3.85Å; L459-F487 HydrophobicContact CD1-CZ 3.55Å; L469-F487 HydrophobicContact CB-CB 4.4Å; L469-F487 HydrophobicContact CB-CG 4.31Å; L469-F487 WeakPolarHBondContact O-CB 3.49Å; G471-F487 PolarHBondContact N-O 2.78Å; W472-F487 HydrophobicContact CB-CD2 4.05Å; W472-F487 WeakPolarHBondContact O-CD2 3.15Å; W472-F487 PolarHBondContact O-N 2.96Å; L474-F487 HydrophobicContact CB-CE2 4.11Å; Y485-F487 HydrophobicContact CD1-CD1 4.41Å; Y485-F487 HydrophobicContact CD1-CE1 4.2Å; Y485-F487 HydrophobicContact CD1-CE2 4.39Å; Y485-F487 HydrophobicContact CD1-CZ 4.19Å; Y485-F487 AromaticContact CE1-CD1 3.78Å; Y485-F487 HydrophobicContact CE1-CD1 3.78Å; Y485-F487 AromaticContact CE1-CE1 3.71Å; Y485-F487 HydrophobicContact CE1-CE1 3.71Å; Y485-F487 HydrophobicContact CE1-CG 4.27Å; Y485-F487 HydrophobicContact CE1-CZ 4.17Å; F487-I491 HydrophobicContact CB-CD1 4.15Å; F487-I491 HydrophobicContact CD1-CD1 3.81Å; F487-I491 HydrophobicContact CG-CD1 4.49Å; F487-L499 HydrophobicContact CE1-CD1 4.27Å; F487-L499 HydrophobicContact CE1-CD2 3.67Å; F487-L499 HydrophobicContact CZ-CD2 4.03Å; F487-V501 HydrophobicContact CE1-CG2 3.85Å; F487-V501 HydrophobicContact CZ-CG2 3.66Å; F487-L533 HydrophobicContact CE2-CD1 4.17Å
488	H	91.4	Very high	91.2	Very high	115 Å²	115	77.7 Å²	77.7	53%	0.532	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-63.5	140.5	175.3	-173.5	-90.5	0	0	0	110.8	K490 I491	H488-K490 PolarHBondContact ND1-N 2.85Å; H488-K490 PolarHBondContact O-N 3.37Å; H488-I491 HydrophobicContact CB-CD1 3.88Å; H488-I491 HydrophobicContact CB-CG1 4.12Å; H488-I491 WeakPolarHBondContact O-CG1 3.33Å; H488-I491 PolarHBondContact O-N 2.79Å; H488-I491 VanDerWaalsContact O-N 3.11Å
489	P	88.7	Confident	91.4	Very high	95 Å²	95	77.4 Å²	77.4	62%	0.617	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-21.6	-174.4	-30.6	36.1	0	0	0	116.8	G470	G470-P489 VanDerWaalsContact CA-CA 3.46Å; G470-P489 WeakPolarHBondContact CA-O 3.24Å
490	K	87.7	Confident	92.2	Very high	180 Å²	180	73.8 Å²	73.8	78%	0.783	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.6	-176	-62.1	-174.2	178.1	-178.6	0	114.6	H488	H488-K490 PolarHBondContact ND1-N 2.85Å; H488-K490 PolarHBondContact O-N 3.37Å
491	I	91.3	Very high	92.8	Very high	16 Å²	16	69.7 Å²	69.7	8%	0.082	34%	0.344	C	S	.	.			trans	-80.6	126.1	-176.7	-64.5	171.8	0	0	0	109.6	S468 L469 F487 H488 L499 F516	S468-I491 CarbonylContact C-O 3.58Å; L469-I491 HydrophobicContact CB-CG2 4.2Å; L469-I491 HydrophobicContact CD1-CG2 4.35Å; L469-I491 PolarHBondContact N-O 2.78Å; F487-I491 HydrophobicContact CB-CD1 4.15Å; F487-I491 HydrophobicContact CD1-CD1 3.81Å; F487-I491 HydrophobicContact CG-CD1 4.49Å; H488-I491 HydrophobicContact CB-CD1 3.88Å; H488-I491 HydrophobicContact CB-CG1 4.12Å; H488-I491 WeakPolarHBondContact O-CG1 3.33Å; H488-I491 PolarHBondContact O-N 2.79Å; H488-I491 VanDerWaalsContact O-N 3.11Å; I491-L499 HydrophobicContact CG2-CD1 4.05Å; I491-F516 HydrophobicContact CD1-CD1 4.2Å; I491-F516 HydrophobicContact CD1-CE1 3.38Å; I491-F516 HydrophobicContact CD1-CZ 3.56Å; I491-F516 HydrophobicContact CG1-CE1 4.17Å; I491-F516 HydrophobicContact CG1-CZ 4.04Å; I491-F516 HydrophobicContact CG2-CZ 4.25Å
492	V	92.4	Very high	93.2	Very high	58 Å²	58	65.9 Å²	65.9	35%	0.352	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124	175.6	-177.9	0	0	0	0	108.8	D466 V467	D466-V492 HydrophobicContact CB-CG1 3.67Å; V467-V492 WeakPolarHBondContact O-CA 3.39Å
493	L	93.2	Very high	93.2	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.6	175.8	-174	59.3	0	0	0	109.4	V445 N461 V467 L469 K497 L499	V445-L493 HydrophobicContact CG1-CD2 4.31Å; N461-L493 HydrophobicContact CB-CD2 3.7Å; N461-L493 HydrophobicContact CB-CG 3.73Å; N461-L493 PolarHBondContact ND2-O 3.19Å; V467-L493 PolarHBondContact N-O 3.5Å; V467-L493 PolarHBondContact O-N 3.18Å; L469-L493 HydrophobicContact CD1-CB 3.91Å; L469-L493 HydrophobicContact CD1-CD2 4.16Å; L469-L493 HydrophobicContact CG-CB 4.2Å; L493-K497 HydrophobicContact CD1-CB 4.3Å; L493-L499 HydrophobicContact CD1-CB 3.78Å
494	K	92.3	Very high	92.9	Very high	133 Å²	133	63 Å²	63	58%	0.578	31%	0.314	S	S	*	.			trans	-65.2	155.2	-179.7	-68.8	-168.2	174.8	-172.4	0	112.6	N461 D466 N496 K497	N461-K494 PolarHBondContact ND2-O 3.46Å; D466-K494 WeakPolarHBondContact OD1-CA 3.35Å; K494-N496 PolarHBondContact O-N 2.99Å; K494-K497 HydrophobicContact CB-CB 4.33Å; K494-K497 HydrophobicContact CB-CG 3.8Å; K494-K497 WeakPolarHBondContact O-CB 3.11Å; K494-K497 PolarHBondContact O-N 2.88Å; K494-K497 VanDerWaalsContact O-N 3.16Å
495	P	92.5	Very high	92.6	Very high	36 Å²	36	65.6 Å²	65.6	23%	0.234	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	135.4	175.8	-26	26.6	0	0	0	112.2	S463 D464 D466 K497	S463-P495 WeakPolarHBondContact O-CB 3.33Å; D464-P495 VanDerWaalsContact C-CG 3.48Å; D464-P495 VanDerWaalsContact O-CG 3.28Å; D464-P495 WeakPolarHBondContact O-CG 3.48Å; D466-P495 WeakPolarHBondContact OD1-CD 3.41Å; P495-K497 PolarHBondContact O-N 2.96Å
496	N	91.8	Very high	92.2	Very high	106 Å²	106	65.1 Å²	65.1	57%	0.567	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	23.4	177.5	-62	-47.6	0	0	0	114.5	F460 N461 K494	F460-N496 HydrophobicContact CE2-CB 4.47Å; F460-N496 HydrophobicContact CZ-CB 4.45Å; N461-N496 WeakPolarHBondContact O-CA 3.43Å; N461-N496 PolarHBondContact O-N 3.44Å; N461-N496 VanDerWaalsContact O-N 3.11Å; K494-N496 PolarHBondContact O-N 2.99Å
497	K	93.9	Very high	91.7	Very high	110 Å²	110	67.3 Å²	67.3	48%	0.478	34%	0.336	S	S	.	.			trans	-104.8	152.2	173	-61.2	-54.5	-178.3	-176.4	0	111.1	N461 L493 K494 P495	N461-K497 PolarHBondContact N-O 3.42Å; L493-K497 HydrophobicContact CD1-CB 4.3Å; K494-K497 HydrophobicContact CB-CB 4.33Å; K494-K497 HydrophobicContact CB-CG 3.8Å; K494-K497 WeakPolarHBondContact O-CB 3.11Å; K494-K497 PolarHBondContact O-N 2.88Å; K494-K497 VanDerWaalsContact O-N 3.16Å; P495-K497 PolarHBondContact O-N 2.96Å
498	K	93.4	Very high	91.5	Very high	116 Å²	116	69.5 Å²	69.5	50%	0.504	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.7	176.6	-64.7	178.4	179.3	-173.4	0	109.9	M458 L459 F460	M458-K498 HydrophobicContact CG-CB 4.34Å; M458-K498 HydrophobicContact SD-CB 4.39Å; M458-K498 HydrophobicContact SD-CD 3.72Å; M458-K498 HydrophobicContact SD-CG 4.46Å; L459-K498 CarbonylContact O-C 3.54Å; L459-K498 VanDerWaalsContact O-CA 3.24Å; L459-K498 WeakPolarHBondContact O-CA 3.43Å; F460-K498 HydrophobicContact CB-CG 4.32Å; F460-K498 HydrophobicContact CD2-CD 4.49Å; F460-K498 HydrophobicContact CD2-CG 3.59Å; F460-K498 HydrophobicContact CE2-CG 4.41Å; F460-K498 HydrophobicContact CG-CG 4.4Å
499	L	94.4	Very high	91.3	Very high	1 Å²	1	74.5 Å²	74.5	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135	173.9	175.9	162	0	0	0	107.7	M458 L459 L469 F487 I491 L493 V501 P513 F514 F516	M458-L499 CarbonylContact C-O 3.58Å; M458-L499 WeakPolarHBondContact CA-O 3.25Å; L459-L499 PolarHBondContact N-O 3Å; L459-L499 PolarHBondContact O-N 2.89Å; L469-L499 HydrophobicContact CD1-CD1 4.08Å; F487-L499 HydrophobicContact CE1-CD1 4.27Å; F487-L499 HydrophobicContact CE1-CD2 3.67Å; F487-L499 HydrophobicContact CZ-CD2 4.03Å; I491-L499 HydrophobicContact CG2-CD1 4.05Å; L493-L499 HydrophobicContact CD1-CB 3.78Å; L499-V501 HydrophobicContact CD2-CG2 3.78Å; L499-P513 WeakPolarHBondContact CD1-O 3.29Å; L499-F514 CarbonylContact C-O 3.49Å; L499-F514 WeakPolarHBondContact CA-O 3.48Å; L499-F516 HydrophobicContact CD1-CD2 3.85Å; L499-F516 HydrophobicContact CD1-CE2 3.32Å; L499-F516 HydrophobicContact CD1-CZ 4.22Å; L499-F516 HydrophobicContact CD2-CD2 3.69Å; L499-F516 HydrophobicContact CD2-CE2 4.07Å; L499-F516 HydrophobicContact CG-CD2 3.67Å; L499-F516 HydrophobicContact CG-CE2 3.6Å
500	T	96.1	Very high	91.4	Very high	12 Å²	12	74.4 Å²	74.4	7%	0.074	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131	-178	-49	0	0	0	0	110.3	Y456 V457 W502 F514 F516	Y456-T500 HydrophobicContact CD2-CG2 4.06Å; Y456-T500 HydrophobicContact CG-CG2 4.06Å; V457-T500 CarbonylContact O-C 3.6Å; V457-T500 WeakPolarHBondContact O-CA 3.4Å; T500-W502 HydrophobicContact CG2-CD2 3.97Å; T500-W502 VanDerWaalsContact CG2-CE2 3.43Å; T500-W502 HydrophobicContact CG2-CG 4.25Å; T500-W502 HydrophobicContact CG2-CZ2 3.75Å; T500-F514 PolarHBondContact N-O 3.14Å; T500-F516 PolarHBondContact O-N 2.85Å
501	V	95.5	Very high	91.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.4	171.7	-171.1	0	0	0	0	108.8	Y456 V457 L474 Y485 F487 L499 F516 M518 W523	Y456-V501 CarbonylContact C-O 3.58Å; Y456-V501 WeakPolarHBondContact CA-O 3.46Å; V457-V501 PolarHBondContact N-O 2.94Å; V457-V501 PolarHBondContact O-N 3.23Å; L474-V501 HydrophobicContact CD2-CB 4.2Å; L474-V501 HydrophobicContact CD2-CG2 4.11Å; Y485-V501 HydrophobicContact CD1-CG1 3.74Å; Y485-V501 HydrophobicContact CD1-CG2 4.11Å; Y485-V501 HydrophobicContact CD2-CG1 4.22Å; Y485-V501 HydrophobicContact CE1-CG1 3.96Å; Y485-V501 HydrophobicContact CE1-CG2 4.09Å; Y485-V501 HydrophobicContact CE2-CG1 4.41Å; Y485-V501 HydrophobicContact CG-CG1 3.88Å; F487-V501 HydrophobicContact CE1-CG2 3.85Å; F487-V501 HydrophobicContact CZ-CG2 3.66Å; L499-V501 HydrophobicContact CD2-CG2 3.78Å; V501-F516 CarbonylContact C-O 3.53Å; V501-F516 WeakPolarHBondContact CA-O 3.34Å; V501-F516 HydrophobicContact CG1-CB 4.47Å; V501-F516 HydrophobicContact CG2-CB 4.32Å; V501-M518 HydrophobicContact CG1-CG 3.89Å; V501-W523 HydrophobicContact CB-CZ2 4.06Å; V501-W523 HydrophobicContact CG1-CZ2 3.66Å; V501-W523 PolarHBondContact O-NE1 3.1Å
502	W	96.1	Very high	91.3	Very high	52 Å²	52	72.5 Å²	72.5	20%	0.197	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	147	-178.3	-60.1	91.8	0	0	0	111.9	R455 Y456 T500 S506 V508 D515 F516 V517 M518	R455-W502 WeakPolarHBondContact O-CA 3.32Å; Y456-W502 HydrophobicContact CD1-CE3 4.25Å; Y456-W502 HydrophobicContact CD1-CH2 4.05Å; Y456-W502 AromaticContact CD1-CZ3 3.65Å; Y456-W502 HydrophobicContact CD1-CZ3 3.65Å; Y456-W502 HydrophobicContact CG-CE3 4.35Å; Y456-W502 HydrophobicContact CG-CH2 4.4Å; Y456-W502 HydrophobicContact CG-CZ3 4.09Å; T500-W502 HydrophobicContact CG2-CD2 3.97Å; T500-W502 VanDerWaalsContact CG2-CE2 3.43Å; T500-W502 HydrophobicContact CG2-CG 4.25Å; T500-W502 HydrophobicContact CG2-CZ2 3.75Å; W502-S506 WeakPolarHBondContact CB-OG 3.39Å; W502-V508 HydrophobicContact CD2-CB 4.07Å; W502-V508 HydrophobicContact CD2-CG1 4.18Å; W502-V508 HydrophobicContact CD2-CG2 3.76Å; W502-V508 HydrophobicContact CE3-CB 4.39Å; W502-V508 HydrophobicContact CE3-CG2 3.66Å; W502-V508 HydrophobicContact CG-CB 4.14Å; W502-V508 HydrophobicContact CG-CG1 4.19Å; W502-V508 HydrophobicContact CG-CG2 4.35Å; W502-V508 HydrophobicContact CH2-CG2 4.23Å; W502-V508 HydrophobicContact CZ2-CG2 4.3Å; W502-V508 HydrophobicContact CZ3-CG2 3.91Å; W502-D515 PolarHBondContact NE1-OD1 2.87Å; W502-F516 PolarHBondContact N-O 3.41Å; W502-V517 HydrophobicContact CB-CG2 4.16Å; W502-M518 WeakPolarHBondContact O-CG 3.48Å; W502-M518 PolarHBondContact O-N 2.99Å
503	S	93.1	Very high	90.9	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	36%	0.359	C	S	.	.			trans	-68	156.7	169.2	60.6	0	0	0	0	111.8	G454 R455 D505 S506	G454-S503 WeakPolarHBondContact O-CB 3.35Å; G454-S503 PolarHBondContact O-OG 3.47Å; R455-S503 PolarHBondContact O-N 3.33Å; R455-S503 PolarHBondContact O-OG 3.13Å; S503-D505 WeakPolarHBondContact CB-OD1 3.31Å; S503-D505 PolarHBondContact O-N 3.48Å; S503-D505 PolarHBondContact OG-OD1 2.86Å; S503-S506 WeakPolarHBondContact O-CB 3.38Å; S503-S506 PolarHBondContact O-N 3.39Å; S503-S506 PolarHBondContact O-OG 2.79Å
504	S	90.9	Very high	90.7	Very high	53 Å²	53	77.3 Å²	77.3	37%	0.371	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.8	-178.7	59.6	0	0	0	0	114.1	M518 Q521	S504-M518 WeakPolarHBondContact CA-O 3.45Å; S504-M518 VanDerWaalsContact CB-O 3.26Å; S504-M518 WeakPolarHBondContact CB-O 3.37Å; S504-Q521 WeakPolarHBondContact CB-O 3.34Å; S504-Q521 PolarHBondContact N-O 3.07Å; S504-Q521 PolarHBondContact OG-N 2.9Å; S504-Q521 PolarHBondContact OG-O 2.9Å
505	D	88.4	Confident	90.7	Very high	104 Å²	104	72.9 Å²	72.9	56%	0.556	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-1.7	-179.2	58.1	-13	0	0	0	113.9	S503 Q507	S503-D505 WeakPolarHBondContact CB-OD1 3.31Å; S503-D505 PolarHBondContact O-N 3.48Å; S503-D505 PolarHBondContact OG-OD1 2.86Å; D505-Q507 PolarHBondContact O-N 3.43Å; D505-Q507 VanDerWaalsContact O-N 3.1Å
506	S	84.9	Confident	90.8	Very high	26 Å²	26	71.6 Å²	71.6	18%	0.182	35%	0.352	C	S	.	.	S	Bend	trans	-65.4	-11.4	-179	61.8	0	0	0	0	115.2	W502 S503 V508	W502-S506 WeakPolarHBondContact CB-OG 3.39Å; S503-S506 WeakPolarHBondContact O-CB 3.38Å; S503-S506 PolarHBondContact O-N 3.39Å; S503-S506 PolarHBondContact O-OG 2.79Å; S506-V508 PolarHBondContact O-N 3.27Å; S506-V508 PolarHBondContact OG-N 2.85Å
507	Q	84.8	Confident	90.9	Very high	193 Å²	193	67.8 Å²	67.8	90%	0.902	33%	0.333	S	S	*	.			trans	57.7	9.3	-171.2	-55.4	-179.3	2.5	0	0	114.5	D505	D505-Q507 PolarHBondContact O-N 3.43Å; D505-Q507 VanDerWaalsContact O-N 3.1Å
508	V	88.5	Confident	90.8	Very high	48 Å²	48	62.7 Å²	62.7	29%	0.291	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-77.3	140.1	175.6	178.5	0	0	0	0	109.7	W502 S506 V517	W502-V508 HydrophobicContact CD2-CB 4.07Å; W502-V508 HydrophobicContact CD2-CG1 4.18Å; W502-V508 HydrophobicContact CD2-CG2 3.76Å; W502-V508 HydrophobicContact CE3-CB 4.39Å; W502-V508 HydrophobicContact CE3-CG2 3.66Å; W502-V508 HydrophobicContact CG-CB 4.14Å; W502-V508 HydrophobicContact CG-CG1 4.19Å; W502-V508 HydrophobicContact CG-CG2 4.35Å; W502-V508 HydrophobicContact CH2-CG2 4.23Å; W502-V508 HydrophobicContact CZ2-CG2 4.3Å; W502-V508 HydrophobicContact CZ3-CG2 3.91Å; S506-V508 PolarHBondContact O-N 3.27Å; S506-V508 PolarHBondContact OG-N 2.85Å; V508-V517 WeakPolarHBondContact O-CG2 3.48Å
509	R	88.2	Confident	90.6	Very high	220 Å²	220	65.8 Å²	65.8	83%	0.83	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-78.6	132.3	175.3	-173.1	178.3	179.1	-173.2	0.2	110.1	N511	R509-N511 PolarHBondContact O-N 3.34Å; R509-N511 VanDerWaalsContact O-N 3.17Å
510	H	90.4	Very high	90.3	Very high	93 Å²	93	73.3 Å²	73.3	43%	0.431	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-60.3	116.8	174	-170.6	41.7	0	0	0	111.3	P512 D515 F516 V517	H510-P512 VanDerWaalsContact CE1-CG 3.46Å; H510-P512 WeakPolarHBondContact CE1-CG 3.26Å; H510-P512 WeakPolarHBondContact NE2-CG 3.41Å; H510-D515 PolarHBondContact ND1-O 2.71Å; H510-D515 VanDerWaalsContact ND1-O 3.09Å; H510-F516 AromaticContact CE1-CD1 3.61Å; H510-F516 WeakPolarHBondContact ND1-CA 3.19Å; H510-V517 HydrophobicContact CB-CB 4.22Å; H510-V517 HydrophobicContact CB-CG2 4.07Å; H510-V517 PolarHBondContact ND1-N 3.47Å
511	N	91	Very high	90	Very high	91 Å²	91	76.7 Å²	76.7	49%	0.487	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-140	72.5	-176.5	-172.5	39.6	0	0	0	112.4	R509 F514 D515	R509-N511 PolarHBondContact O-N 3.34Å; R509-N511 VanDerWaalsContact O-N 3.17Å; N511-F514 PolarHBondContact O-N 2.94Å; N511-D515 CarbonylContact C-O 3.53Å; N511-D515 HydrophobicContact CB-CB 4.22Å; N511-D515 PolarHBondContact N-O 3.17Å; N511-D515 PolarHBondContact O-N 2.82Å
512	P	85.7	Confident	89.9	Confident	65 Å²	65	79.6 Å²	79.6	42%	0.422	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	146.9	172.8	-24.4	35.4	0	0	0	112.5	H510 F516	H510-P512 VanDerWaalsContact CE1-CG 3.46Å; H510-P512 WeakPolarHBondContact CE1-CG 3.26Å; H510-P512 WeakPolarHBondContact NE2-CG 3.41Å; P512-F516 HydrophobicContact CB-CE1 3.85Å; P512-F516 HydrophobicContact CB-CZ 3.81Å; P512-F516 HydrophobicContact CG-CD1 4.35Å; P512-F516 HydrophobicContact CG-CE1 3.89Å; P512-F516 HydrophobicContact CG-CZ 4.31Å
513	P	83.3	Confident	89.8	Confident	62 Å²	62	77.4 Å²	77.4	40%	0.403	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	cis	-93	13.3	7.3	38.2	-37.2	0	0	0	114	L499 F516	L499-P513 WeakPolarHBondContact CD1-O 3.29Å; P513-F516 VanDerWaalsContact O-CE2 3.31Å; P513-F516 WeakPolarHBondContact O-CE2 3.36Å
514	F	90.1	Very high	89.7	Confident	103 Å²	103	77.6 Å²	77.6	45%	0.452	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-44.1	-173.7	-54.4	-68.1	0	0	0	112.3	L499 T500 N511	L499-F514 CarbonylContact C-O 3.49Å; L499-F514 WeakPolarHBondContact CA-O 3.48Å; T500-F514 PolarHBondContact N-O 3.14Å; N511-F514 PolarHBondContact O-N 2.94Å
515	D	92.7	Very high	89.7	Confident	40 Å²	40	78.7 Å²	78.7	21%	0.214	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	109.3	-173.8	-61.7	-68.3	0	0	0	111.6	W502 H510 N511	W502-D515 PolarHBondContact NE1-OD1 2.87Å; H510-D515 PolarHBondContact ND1-O 2.71Å; H510-D515 VanDerWaalsContact ND1-O 3.09Å; N511-D515 CarbonylContact C-O 3.53Å; N511-D515 HydrophobicContact CB-CB 4.22Å; N511-D515 PolarHBondContact N-O 3.17Å; N511-D515 PolarHBondContact O-N 2.82Å
516	F	93.9	Very high	89.7	Confident	8 Å²	8	74.9 Å²	74.9	4%	0.035	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.4	176.6	-67.1	-93.2	0	0	0	109.5	Y485 I491 L499 T500 V501 W502 H510 P512 P513	Y485-F516 HydrophobicContact CE1-CB 4.44Å; Y485-F516 WeakPolarHBondContact OH-CD1 3.26Å; I491-F516 HydrophobicContact CD1-CD1 4.2Å; I491-F516 HydrophobicContact CD1-CE1 3.38Å; I491-F516 HydrophobicContact CD1-CZ 3.56Å; I491-F516 HydrophobicContact CG1-CE1 4.17Å; I491-F516 HydrophobicContact CG1-CZ 4.04Å; I491-F516 HydrophobicContact CG2-CZ 4.25Å; L499-F516 HydrophobicContact CD1-CD2 3.85Å; L499-F516 HydrophobicContact CD1-CE2 3.32Å; L499-F516 HydrophobicContact CD1-CZ 4.22Å; L499-F516 HydrophobicContact CD2-CD2 3.69Å; L499-F516 HydrophobicContact CD2-CE2 4.07Å; L499-F516 HydrophobicContact CG-CD2 3.67Å; L499-F516 HydrophobicContact CG-CE2 3.6Å; T500-F516 PolarHBondContact O-N 2.85Å; V501-F516 CarbonylContact C-O 3.53Å; V501-F516 WeakPolarHBondContact CA-O 3.34Å; V501-F516 HydrophobicContact CG1-CB 4.47Å; V501-F516 HydrophobicContact CG2-CB 4.32Å; W502-F516 PolarHBondContact N-O 3.41Å; H510-F516 AromaticContact CE1-CD1 3.61Å; H510-F516 WeakPolarHBondContact ND1-CA 3.19Å; P512-F516 HydrophobicContact CB-CE1 3.85Å; P512-F516 HydrophobicContact CB-CZ 3.81Å; P512-F516 HydrophobicContact CG-CD1 4.35Å; P512-F516 HydrophobicContact CG-CE1 3.89Å; P512-F516 HydrophobicContact CG-CZ 4.31Å; P513-F516 VanDerWaalsContact O-CE2 3.31Å; P513-F516 WeakPolarHBondContact O-CE2 3.36Å
517	V	93.2	Very high	89.8	Confident	26 Å²	26	81.4 Å²	81.4	16%	0.158	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124.7	177.9	-179.2	0	0	0	0	107.5	W502 V508 H510	W502-V517 HydrophobicContact CB-CG2 4.16Å; V508-V517 WeakPolarHBondContact O-CG2 3.48Å; H510-V517 HydrophobicContact CB-CB 4.22Å; H510-V517 HydrophobicContact CB-CG2 4.07Å; H510-V517 PolarHBondContact ND1-N 3.47Å
518	M	92.8	Very high	89.9	Confident	4 Å²	4	78 Å²	78	2%	0.02	39%	0.39	C	S	.	.			trans	-63.2	145.5	176.1	-65.1	-167.8	-68.4	0	0	110.5	V483 Y485 V501 W502 S504 Q521 W523	V483-M518 HydrophobicContact CG1-SD 4.2Å; Y485-M518 HydrophobicContact CD2-CG 3.68Å; Y485-M518 HydrophobicContact CD2-SD 4.33Å; Y485-M518 HydrophobicContact CE2-CG 4.22Å; Y485-M518 HydrophobicContact CG-CG 4.29Å; V501-M518 HydrophobicContact CG1-CG 3.89Å; W502-M518 WeakPolarHBondContact O-CG 3.48Å; W502-M518 PolarHBondContact O-N 2.99Å; S504-M518 WeakPolarHBondContact CA-O 3.45Å; S504-M518 VanDerWaalsContact CB-O 3.26Å; S504-M518 WeakPolarHBondContact CB-O 3.37Å; M518-Q521 HydrophobicContact CB-CB 4.2Å; M518-Q521 HydrophobicContact SD-CB 4.36Å; M518-W523 HydrophobicContact CE-CD2 3.37Å; M518-W523 HydrophobicContact CE-CE3 3.95Å; M518-W523 HydrophobicContact CE-CG 3.6Å; M518-W523 HydrophobicContact CE-CH2 4.38Å; M518-W523 HydrophobicContact CE-CZ2 3.85Å; M518-W523 HydrophobicContact CE-CZ3 4.43Å; M518-W523 HydrophobicContact CG-CZ2 4.49Å; M518-W523 HydrophobicContact SD-CD2 4.02Å; M518-W523 HydrophobicContact SD-CE3 4.16Å; M518-W523 HydrophobicContact SD-CH2 3.73Å; M518-W523 HydrophobicContact SD-CZ2 3.53Å; M518-W523 VanDerWaalsContact SD-CZ2 3.53Å; M518-W523 HydrophobicContact SD-CZ3 4.04Å
519	K	88.4	Confident	90.1	Very high	181 Å²	181	75.7 Å²	75.7	79%	0.787	38%	0.376	S	S	*	.	S	Bend	trans	-92.9	118.3	176.8	-64.9	-176.3	-179.3	-178.9	0	109.2	Q521	K519-Q521 PolarHBondContact O-N 2.77Å; K519-Q521 VanDerWaalsContact O-N 3.13Å
520	N	89	Confident	90.4	Very high	158 Å²	158	69.8 Å²	69.8	85%	0.845	35%	0.354	S	S	*	.	S	Bend	trans	53.4	32	174.8	-55.3	-12.7	0	0	0	114.1
521	Q	90.1	Very high	90.7	Very high	83 Å²	83	65.4 Å²	65.4	39%	0.388	33%	0.333	S	S	.	.			trans	-139.9	137.6	179.3	-67.8	178.5	1.3	0	0	108.9	V483 S504 M518 K519	V483-Q521 HydrophobicContact CG1-CB 4.2Å; S504-Q521 WeakPolarHBondContact CB-O 3.34Å; S504-Q521 PolarHBondContact N-O 3.07Å; S504-Q521 PolarHBondContact OG-N 2.9Å; S504-Q521 PolarHBondContact OG-O 2.9Å; M518-Q521 HydrophobicContact CB-CB 4.2Å; M518-Q521 HydrophobicContact SD-CB 4.36Å; K519-Q521 PolarHBondContact O-N 2.77Å; K519-Q521 VanDerWaalsContact O-N 3.13Å
522	S	91.6	Very high	90.9	Very high	61 Å²	61	61.4 Å²	61.4	43%	0.427	31%	0.313	S	S	.	.			trans	-114.1	153.2	170.5	54.8	0	0	0	0	109.9
523	W	94.2	Very high	91.4	Very high	6 Å²	6	58.3 Å²	58.3	2%	0.023	29%	0.293	C	S	.	.			trans	-74.4	134.3	178.8	-70.9	121.2	0	0	0	110.3	G454 V457 L474 R476 V483 V501 M518 V525	G454-W523 WeakPolarHBondContact O-CB 3.45Å; V457-W523 HydrophobicContact CB-CZ2 4.37Å; V457-W523 HydrophobicContact CG2-CD2 4.11Å; V457-W523 HydrophobicContact CG2-CG 4.42Å; V457-W523 HydrophobicContact CG2-CZ2 4Å; L474-W523 HydrophobicContact CB-CH2 4.39Å; L474-W523 HydrophobicContact CD2-CH2 3.64Å; L474-W523 HydrophobicContact CD2-CZ2 3.66Å; L474-W523 HydrophobicContact CG-CH2 3.94Å; L474-W523 HydrophobicContact CG-CZ2 4.45Å; R476-W523 HydrophobicContact CB-CE3 3.59Å; R476-W523 HydrophobicContact CB-CZ3 3.83Å; R476-W523 HydrophobicContact CG-CE3 4.4Å; V483-W523 HydrophobicContact CB-CE3 4.32Å; V483-W523 HydrophobicContact CB-CZ3 4.43Å; V483-W523 HydrophobicContact CG1-CE3 4.17Å; V483-W523 HydrophobicContact CG1-CZ3 4.12Å; V501-W523 HydrophobicContact CB-CZ2 4.06Å; V501-W523 HydrophobicContact CG1-CZ2 3.66Å; V501-W523 PolarHBondContact O-NE1 3.1Å; M518-W523 HydrophobicContact CE-CD2 3.37Å; M518-W523 HydrophobicContact CE-CE3 3.95Å; M518-W523 HydrophobicContact CE-CG 3.6Å; M518-W523 HydrophobicContact CE-CH2 4.38Å; M518-W523 HydrophobicContact CE-CZ2 3.85Å; M518-W523 HydrophobicContact CE-CZ3 4.43Å; M518-W523 HydrophobicContact CG-CZ2 4.49Å; M518-W523 HydrophobicContact SD-CD2 4.02Å; M518-W523 HydrophobicContact SD-CE3 4.16Å; M518-W523 HydrophobicContact SD-CH2 3.73Å; M518-W523 HydrophobicContact SD-CZ2 3.53Å; M518-W523 VanDerWaalsContact SD-CZ2 3.53Å; M518-W523 HydrophobicContact SD-CZ3 4.04Å; W523-V525 PolarHBondContact O-N 2.87Å
524	P	91.8	Very high	92	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.032	28%	0.28	C	S	.	.			trans	-69.8	134.3	-179	26	-31.1	0	0	0	110.9	R476 Q481 V483	R476-P524 HydrophobicContact CB-CG 4.25Å; R476-P524 HydrophobicContact CG-CG 4.02Å; R476-P524 PolarHBondContact NE-O 2.99Å; R476-P524 PolarHBondContact NH2-O 2.61Å; R476-P524 WeakPolarHBondContact O-CG 3.41Å; Q481-P524 HydrophobicContact CB-CB 3.93Å; V483-P524 HydrophobicContact CB-CG 4.5Å; V483-P524 HydrophobicContact CG2-CG 4.34Å
525	V	90	Very high	92.1	Very high	76 Å²	76	52.4 Å²	52.4	46%	0.461	26%	0.261	S	S	.	.			trans	-112.1	153.7	-179.4	-61.7	0	0	0	0	110.6	V452 E453 W523	V452-V525 WeakPolarHBondContact O-CG1 3.41Å; E453-V525 VanDerWaalsContact O-CG1 3.32Å; E453-V525 WeakPolarHBondContact O-CG1 3.47Å; W523-V525 PolarHBondContact O-N 2.87Å
526	G	88.4	Confident	91.9	Very high	24 Å²	24	53.8 Å²	53.8	25%	0.247	27%	0.272	C	S	.	.	S	Bend	trans	165.6	-177.1	177.2	0	0	0	0	0	112.8	S478 K528 I529	S478-G526 WeakPolarHBondContact OG-CA 3.48Å; S478-G526 PolarHBondContact OG-N 3.44Å; G526-K528 PolarHBondContact O-N 2.94Å; G526-I529 WeakPolarHBondContact O-CD1 3.49Å; G526-I529 WeakPolarHBondContact O-CG1 3.41Å
527	K	87	Confident	91.6	Very high	162 Å²	162	60 Å²	60	70%	0.704	30%	0.301	S	S	*	.	S	Bend	trans	-61.6	-28.6	-174.8	-54.2	-165.6	173.7	-175.4	0	114	S547 Q548	K527-S547 CarbonylContact O-C 3.48Å; K527-S547 WeakPolarHBondContact O-CA 3.38Å; K527-Q548 HydrophobicContact CB-CB 4.4Å; K527-Q548 PolarHBondContact O-N 2.86Å
528	K	88.3	Confident	91.4	Very high	122 Å²	122	63.9 Å²	63.9	53%	0.53	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	118.7	176.6	-171.6	171.7	-173.3	174.1	0	108.3	S478 G526 S546	S478-K528 WeakPolarHBondContact CB-O 3.47Å; S478-K528 PolarHBondContact OG-O 3.39Å; G526-K528 PolarHBondContact O-N 2.94Å; K528-S546 WeakPolarHBondContact CA-O 3.21Å
529	I	92.7	Very high	91.2	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.3	-176.1	-62.4	155.6	0	0	0	106.8	Y435 V452 R476 G526 Q545 S546	Y435-I529 HydrophobicContact CE1-CD1 4.26Å; V452-I529 HydrophobicContact CB-CD1 4.34Å; R476-I529 HydrophobicContact CG-CG2 3.98Å; R476-I529 VanDerWaalsContact NE-CG2 3.28Å; G526-I529 WeakPolarHBondContact O-CD1 3.49Å; G526-I529 WeakPolarHBondContact O-CG1 3.41Å; I529-Q545 CarbonylContact O-C 3.49Å; I529-Q545 WeakPolarHBondContact O-CA 3.29Å; I529-Q545 WeakPolarHBondContact O-CG 3.23Å; I529-S546 PolarHBondContact N-O 3.16Å; I529-S546 PolarHBondContact O-N 2.81Å
530	R	93.9	Very high	91.4	Very high	96 Å²	96	64.6 Å²	64.6	36%	0.362	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	123.6	170.3	-175.8	174.1	171.5	-179.4	-2.7	109.4	R476 K477 S532 E540 Q545	R476-R530 CarbonylContact C-O 3.59Å; R476-R530 WeakPolarHBondContact CA-O 3.42Å; K477-R530 PolarHBondContact N-O 3.31Å; K477-R530 PolarHBondContact O-N 3.27Å; R530-S532 PolarHBondContact NE-OG 3.16Å; R530-E540 IonicContact CZ-OE1 3.83Å; R530-E540 IonicContact NE-OE1 2.64Å; R530-E540 VanDerWaalsContact NH2-CD 3.3Å; R530-E540 IonicContact NH2-OE1 3.68Å; R530-E540 PolarHBondContact NH2-OE1 2.88Å; R530-E540 IonicContact NH2-OE2 3.37Å; R530-E540 PolarHBondContact NH2-OE2 3.46Å; R530-Q545 HydrophobicContact CB-CG 4.16Å; R530-Q545 HydrophobicContact CG-CB 4.45Å
531	T	96.2	Very high	91.6	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.9	172.2	-51.6	0	0	0	0	108.5	I447 H450 V457 L474 R475 R476 W543 R544	I447-T531 HydrophobicContact CD1-CG2 4Å; I447-T531 VanDerWaalsContact CD1-O 3.29Å; I447-T531 WeakPolarHBondContact CD1-O 3.48Å; H450-T531 PolarHBondContact ND1-OG1 3.33Å; V457-T531 HydrophobicContact CG1-CG2 3.9Å; V457-T531 HydrophobicContact CG2-CG2 4.09Å; L474-T531 HydrophobicContact CD1-CG2 3.69Å; L474-T531 HydrophobicContact CG-CG2 4.16Å; R475-T531 CarbonylContact O-C 3.59Å; R475-T531 WeakPolarHBondContact O-CA 3.43Å; R476-T531 HydrophobicContact CB-CG2 4.3Å; R476-T531 WeakPolarHBondContact CG-OG1 3.47Å; T531-W543 CarbonylContact O-C 3.52Å; T531-W543 WeakPolarHBondContact O-CA 3.46Å; T531-R544 PolarHBondContact N-O 3.03Å; T531-R544 PolarHBondContact O-N 2.82Å
532	S	95.9	Very high	91.8	Very high	8 Å²	8	54.1 Å²	54.1	6%	0.056	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.2	-177.9	-66	0	0	0	0	109.8	R475 R530 F534 E540 A542	R475-S532 PolarHBondContact N-O 2.78Å; R475-S532 PolarHBondContact O-N 3.37Å; R530-S532 PolarHBondContact NE-OG 3.16Å; S532-F534 VanDerWaalsContact CB-CE2 3.42Å; S532-E540 WeakPolarHBondContact CB-OE1 3.42Å; S532-E540 PolarHBondContact OG-OE1 3.38Å; S532-A542 CarbonylContact C-O 3.57Å; S532-A542 WeakPolarHBondContact CA-O 3.3Å
533	L	96.4	Very high	92	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124	178.3	-177.4	65.4	0	0	0	108.8	V445 I447 L459 W472 L474 F487 V541 A542	V445-L533 HydrophobicContact CB-CD2 4.27Å; V445-L533 HydrophobicContact CG1-CD2 3.78Å; I447-L533 HydrophobicContact CD1-CB 4.35Å; L459-L533 HydrophobicContact CD1-CD1 4.19Å; L459-L533 HydrophobicContact CD1-CD2 4.27Å; L459-L533 HydrophobicContact CD2-CD2 4.1Å; W472-L533 HydrophobicContact CE3-CD1 3.99Å; W472-L533 HydrophobicContact CE3-CD2 3.66Å; W472-L533 HydrophobicContact CE3-CG 3.69Å; W472-L533 HydrophobicContact CZ3-CD2 3.62Å; W472-L533 HydrophobicContact CZ3-CG 4.04Å; L474-L533 HydrophobicContact CB-CD1 4.34Å; L474-L533 HydrophobicContact CD1-CB 4.32Å; L474-L533 HydrophobicContact CD1-CD1 4.12Å; F487-L533 HydrophobicContact CE2-CD1 4.17Å; L533-V541 HydrophobicContact CB-CG2 4.43Å; L533-V541 HydrophobicContact CD2-CG2 4.3Å; L533-V541 HydrophobicContact CG-CG2 4.14Å; L533-V541 WeakPolarHBondContact O-CG2 3.3Å; L533-V541 PolarHBondContact O-N 3.45Å; L533-A542 HydrophobicContact CB-CB 4.23Å; L533-A542 PolarHBondContact N-O 2.97Å
534	F	95.1	Very high	92.1	Very high	30 Å²	30	56.3 Å²	56.3	13%	0.132	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.7	-177.2	-64.4	-90.7	0	0	0	111.1	W472 T473 R475 S532 E539 E540	W472-F534 CarbonylContact C-O 3.58Å; W472-F534 VanDerWaalsContact CA-O 3.29Å; W472-F534 WeakPolarHBondContact CA-O 3.19Å; W472-F534 WeakPolarHBondContact CB-O 3.46Å; T473-F534 PolarHBondContact N-O 3.16Å; T473-F534 PolarHBondContact O-N 2.79Å; R475-F534 HydrophobicContact CB-CD2 4.12Å; R475-F534 HydrophobicContact CB-CE2 3.9Å; R475-F534 HydrophobicContact CG-CE2 4.42Å; S532-F534 VanDerWaalsContact CB-CE2 3.42Å; F534-E539 VanDerWaalsContact CA-O 3.3Å; F534-E539 WeakPolarHBondContact CA-O 3.48Å; F534-E540 HydrophobicContact CD1-CB 4.12Å; F534-E540 HydrophobicContact CE1-CB 3.74Å; F534-E540 HydrophobicContact CE1-CG 4.25Å; F534-E540 HydrophobicContact CZ-CB 4.35Å; F534-E540 HydrophobicContact CZ-CG 4.37Å
535	T	91.8	Very high	92.1	Very high	11 Å²	11	57.6 Å²	57.6	7%	0.067	28%	0.276	C	S	.	.			trans	-72.1	169.3	169.3	59.9	0	0	0	0	111	W472 E537 E538 E539 V541	W472-T535 HydrophobicContact CH2-CG2 4.35Å; W472-T535 HydrophobicContact CZ2-CG2 4.1Å; T535-E537 WeakPolarHBondContact CB-OE2 3.01Å; T535-E537 PolarHBondContact O-N 3.44Å; T535-E537 PolarHBondContact OG1-OE2 3.29Å; T535-E538 PolarHBondContact O-N 2.98Å; T535-E539 PolarHBondContact N-O 3.18Å; T535-E539 WeakPolarHBondContact OG1-CB 3.24Å; T535-E539 PolarHBondContact OG1-N 3.21Å; T535-E539 VanDerWaalsContact OG1-N 3.15Å; T535-E539 PolarHBondContact OG1-O 2.76Å; T535-V541 HydrophobicContact CG2-CB 4.38Å; T535-V541 HydrophobicContact CG2-CG1 3.43Å; T535-V541 VanDerWaalsContact CG2-CG1 3.43Å; T535-V541 HydrophobicContact CG2-CG2 4.03Å
536	P	89.3	Confident	92.2	Very high	68 Å²	68	54 Å²	54	44%	0.442	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-23.9	173.1	-24.6	36.4	0	0	0	113.7	E538	P536-E538 VanDerWaalsContact C-N 3.25Å; P536-E538 PolarHBondContact O-N 3.5Å
537	E	88.2	Confident	92.3	Very high	139 Å²	139	54.6 Å²	54.6	65%	0.65	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	7	175.3	-60.3	70.8	-150.8	0	0	113.3	T535 E539	T535-E537 WeakPolarHBondContact CB-OE2 3.01Å; T535-E537 PolarHBondContact O-N 3.44Å; T535-E537 PolarHBondContact OG1-OE2 3.29Å; E537-E539 HydrophobicContact CB-CG 4.32Å; E537-E539 PolarHBondContact O-N 2.98Å
538	E	87.5	Confident	92	Very high	108 Å²	108	49.8 Å²	49.8	51%	0.505	24%	0.235	S	C	.	.			trans	61.3	25.3	-175.7	-64.6	-78.1	161.8	0	0	114.1	R475 T535 P536	R475-E538 IonicContact NH2-OE2 3.33Å; R475-E538 PolarHBondContact NH2-OE2 2.81Å; T535-E538 PolarHBondContact O-N 2.98Å; P536-E538 VanDerWaalsContact C-N 3.25Å; P536-E538 PolarHBondContact O-N 3.5Å
539	E	90.3	Very high	91.5	Very high	128 Å²	128	47.6 Å²	47.6	60%	0.598	23%	0.228	S	C	*	.			trans	-86.1	131.3	172.4	-59.2	-174.4	160.8	0	0	111	F534 T535 E537 V541	F534-E539 VanDerWaalsContact CA-O 3.3Å; F534-E539 WeakPolarHBondContact CA-O 3.48Å; T535-E539 PolarHBondContact N-O 3.18Å; T535-E539 WeakPolarHBondContact OG1-CB 3.24Å; T535-E539 PolarHBondContact OG1-N 3.21Å; T535-E539 VanDerWaalsContact OG1-N 3.15Å; T535-E539 PolarHBondContact OG1-O 2.76Å; E537-E539 HydrophobicContact CB-CG 4.32Å; E537-E539 PolarHBondContact O-N 2.98Å; E539-V541 PolarHBondContact O-N 2.87Å
540	E	92.5	Very high	89.7	Confident	72 Å²	72	52.8 Å²	52.8	34%	0.336	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	111	177.9	-173.1	175.4	-155.6	0	0	110.4	R530 S532 F534 W543	R530-E540 IonicContact CZ-OE1 3.83Å; R530-E540 IonicContact NE-OE1 2.64Å; R530-E540 VanDerWaalsContact NH2-CD 3.3Å; R530-E540 IonicContact NH2-OE1 3.68Å; R530-E540 PolarHBondContact NH2-OE1 2.88Å; R530-E540 IonicContact NH2-OE2 3.37Å; R530-E540 PolarHBondContact NH2-OE2 3.46Å; S532-E540 WeakPolarHBondContact CB-OE1 3.42Å; S532-E540 PolarHBondContact OG-OE1 3.38Å; F534-E540 HydrophobicContact CD1-CB 4.12Å; F534-E540 HydrophobicContact CE1-CB 3.74Å; F534-E540 HydrophobicContact CE1-CG 4.25Å; F534-E540 HydrophobicContact CZ-CB 4.35Å; F534-E540 HydrophobicContact CZ-CG 4.37Å; E540-W543 VanDerWaalsContact OE1-CB 3.32Å; E540-W543 WeakPolarHBondContact OE1-CB 3.48Å
541	V	93.4	Very high	87.1	Confident	19 Å²	19	52.5 Å²	52.5	12%	0.115	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-20.4	-176.3	-73.4	0	0	0	0	114.3	A441 T442 G443 W472 L533 T535 E539	A441-V541 CarbonylContact C-O 3.53Å; A441-V541 WeakPolarHBondContact CA-O 3.5Å; T442-V541 PolarHBondContact N-O 3.04Å; T442-V541 WeakPolarHBondContact OG1-CA 3.36Å; T442-V541 PolarHBondContact OG1-O 3Å; G443-V541 PolarHBondContact N-O 3.45Å; W472-V541 HydrophobicContact CE3-CG2 4.14Å; W472-V541 HydrophobicContact CH2-CG2 3.96Å; W472-V541 HydrophobicContact CZ3-CG2 3.5Å; W472-V541 VanDerWaalsContact CZ3-CG2 3.5Å; L533-V541 HydrophobicContact CB-CG2 4.43Å; L533-V541 HydrophobicContact CD2-CG2 4.3Å; L533-V541 HydrophobicContact CG-CG2 4.14Å; L533-V541 WeakPolarHBondContact O-CG2 3.3Å; L533-V541 PolarHBondContact O-N 3.45Å; T535-V541 HydrophobicContact CG2-CB 4.38Å; T535-V541 HydrophobicContact CG2-CG1 3.43Å; T535-V541 VanDerWaalsContact CG2-CG1 3.43Å; T535-V541 HydrophobicContact CG2-CG2 4.03Å; E539-V541 PolarHBondContact O-N 2.87Å
542	A	94.5	Very high	84.2	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	146.1	172.2	0	0	0	0	0	111.1	S440 A441 V445 I447 S532 L533	S440-A542 CarbonylContact O-C 3.58Å; S440-A542 VanDerWaalsContact O-CA 3.29Å; S440-A542 WeakPolarHBondContact O-CA 3.31Å; A441-A542 HydrophobicContact CB-CB 3.87Å; V445-A542 WeakPolarHBondContact O-CB 3.4Å; I447-A542 HydrophobicContact CG1-CB 4.22Å; S532-A542 CarbonylContact C-O 3.57Å; S532-A542 WeakPolarHBondContact CA-O 3.3Å; L533-A542 HydrophobicContact CB-CB 4.23Å; L533-A542 PolarHBondContact N-O 2.97Å
543	W	95.2	Very high	81.3	Confident	65 Å²	65	65.9 Å²	65.9	25%	0.246	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	153.2	172	66.2	-95.3	0	0	0	111.4	E438 A439 S440 T531 E540 Q545	E438-W543 HydrophobicContact CB-CH2 3.97Å; E438-W543 HydrophobicContact CB-CZ3 3.92Å; A439-W543 CarbonylContact C-O 3.57Å; A439-W543 VanDerWaalsContact CA-O 3.28Å; A439-W543 WeakPolarHBondContact CA-O 3.44Å; S440-W543 PolarHBondContact N-O 3.16Å; S440-W543 PolarHBondContact O-N 3.05Å; T531-W543 CarbonylContact O-C 3.52Å; T531-W543 WeakPolarHBondContact O-CA 3.46Å; E540-W543 VanDerWaalsContact OE1-CB 3.32Å; E540-W543 WeakPolarHBondContact OE1-CB 3.48Å; W543-Q545 HydrophobicContact CE3-CB 3.94Å; W543-Q545 HydrophobicContact CZ3-CB 3.64Å
544	R	95.1	Very high	78.3	Confident	49 Å²	49	70.7 Å²	70.7	19%	0.185	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	133.3	169.9	-176	-179.1	-101.5	-131.2	-8.4	108.9	E438 A439 I447 S448 D449 H450 T531	E438-R544 CarbonylContact O-C 3.55Å; E438-R544 VanDerWaalsContact O-CA 3.27Å; E438-R544 WeakPolarHBondContact O-CA 3.23Å; E438-R544 WeakPolarHBondContact O-CG 3.36Å; A439-R544 HydrophobicContact CB-CB 4.14Å; A439-R544 HydrophobicContact CB-CG 4.05Å; I447-R544 HydrophobicContact CB-CB 4.1Å; I447-R544 HydrophobicContact CG2-CB 3.9Å; I447-R544 PolarHBondContact O-NE 2.96Å; S448-R544 PolarHBondContact O-NH2 3.35Å; D449-R544 IonicContact OD1-NH1 3.89Å; D449-R544 PolarHBondContact OD1-NH1 3.26Å; H450-R544 WeakPolarHBondContact CD2-CD 3.31Å; H450-R544 PolarHBondContact CE1-O 3.33Å; H450-R544 WeakPolarHBondContact NE2-CG 3.19Å; T531-R544 PolarHBondContact N-O 3.03Å; T531-R544 PolarHBondContact O-N 2.82Å
545	Q	93.4	Very high	75.2	Confident	32 Å²	32	77.1 Å²	77.1	15%	0.15	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	-179.9	-169.3	176.9	-81.9	0	0	110.2	S437 E438 I529 R530 W543	S437-Q545 CarbonylContact C-O 3.58Å; S437-Q545 WeakPolarHBondContact CA-O 3.46Å; E438-Q545 PolarHBondContact N-O 3.45Å; E438-Q545 PolarHBondContact O-N 2.93Å; I529-Q545 CarbonylContact O-C 3.49Å; I529-Q545 WeakPolarHBondContact O-CA 3.29Å; I529-Q545 WeakPolarHBondContact O-CG 3.23Å; R530-Q545 HydrophobicContact CB-CG 4.16Å; R530-Q545 HydrophobicContact CG-CB 4.45Å; W543-Q545 HydrophobicContact CE3-CB 3.94Å; W543-Q545 HydrophobicContact CZ3-CB 3.64Å
546	S	91.5	Very high	72.4	Confident	1 Å²	1	84.2 Å²	84.2	1%	0.007	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	174.4	-73	0	0	0	0	110.2	E436 S437 H450 K528 I529	E436-S546 CarbonylContact O-C 3.57Å; E436-S546 VanDerWaalsContact O-CA 3.27Å; E436-S546 WeakPolarHBondContact O-CA 3.47Å; S437-S546 PolarHBondContact OG-OG 3.31Å; H450-S546 PolarHBondContact CD2-OG 3.24Å; H450-S546 WeakPolarHBondContact NE2-CB 3.22Å; H450-S546 PolarHBondContact NE2-OG 3.44Å; K528-S546 WeakPolarHBondContact CA-O 3.21Å; I529-S546 PolarHBondContact N-O 3.16Å; I529-S546 PolarHBondContact O-N 2.81Å
547	S	89.3	Confident	69.6	Low	36 Å²	36	84.8 Å²	84.8	25%	0.252	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	130.2	177	-51.8	0	0	0	0	110.7	Y435 E436 K527 I549	Y435-S547 CarbonylContact C-O 3.59Å; Y435-S547 WeakPolarHBondContact CA-O 3.2Å; E436-S547 PolarHBondContact N-O 2.94Å; E436-S547 PolarHBondContact O-N 3.26Å; K527-S547 CarbonylContact O-C 3.48Å; K527-S547 WeakPolarHBondContact O-CA 3.38Å; S547-I549 PolarHBondContact O-N 3.26Å
548	Q	82.6	Confident	66.9	Low	61 Å²	61	88.2 Å²	88.2	29%	0.285	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	123.8	178.6	-168.9	-177.5	17	0	0	110.1	D433 L434 Y435 K527	D433-Q548 PolarHBondContact OD1-NE2 3.5Å; D433-Q548 PolarHBondContact OD2-NE2 3.06Å; L434-Q548 CarbonylContact O-C 3.57Å; L434-Q548 WeakPolarHBondContact O-CA 3.45Å; Y435-Q548 HydrophobicContact CD1-CB 4.12Å; Y435-Q548 HydrophobicContact CE1-CB 3.76Å; Y435-Q548 HydrophobicContact CE1-CG 4.46Å; Y435-Q548 HydrophobicContact CE2-CB 4.47Å; Y435-Q548 HydrophobicContact CE2-CG 4.33Å; K527-Q548 HydrophobicContact CB-CB 4.4Å; K527-Q548 PolarHBondContact O-N 2.86Å
549	I	77.5	Confident	64.2	Low	75 Å²	75	91.8 Å²	91.8	39%	0.385	49%	0.493	S	S	.	.			trans	-88.5	116.8	178.7	-50.7	172.2	0	0	0	108.1	L434 E436 S547 T551	L434-I549 HydrophobicContact CB-CB 4.49Å; L434-I549 PolarHBondContact O-N 3.24Å; E436-I549 HydrophobicContact CB-CD1 3.79Å; E436-I549 HydrophobicContact CB-CG1 3.91Å; S547-I549 PolarHBondContact O-N 3.26Å; I549-T551 PolarHBondContact O-N 3.35Å
550	C	53.7	Low	61.4	Low	110 Å²	110	96.7 Å²	96.7	74%	0.743	51%	0.505	S	S	*	.			trans	-88.2	95.6	173.3	-158.3	0	0	0	0	109.2	T552	C550-T552 VanDerWaalsContact C-N 3.35Å; C550-T552 PolarHBondContact O-N 3.13Å
551	T	39.7	Very low	58.6	Low	90 Å²	90	98.4 Å²	98.4	55%	0.552	53%	0.525	S	S	*	.			trans	-81.2	79.9	175.9	-53.8	0	0	0	0	110.4	I549 Q553	I549-T551 PolarHBondContact O-N 3.35Å; T551-Q553 HydrophobicContact CG2-CG 4.14Å
552	T	36.2	Very low	55.8	Low	125 Å²	125	102.1 Å²	102.1	77%	0.767	56%	0.558	S	S	*	*			trans	-99.9	76.6	159.1	34.7	0	0	0	0	108.9	C550 S554	C550-T552 VanDerWaalsContact C-N 3.35Å; C550-T552 PolarHBondContact O-N 3.13Å; T552-S554 PolarHBondContact O-N 3.31Å
553	Q	34.5	Very low	53	Low	163 Å²	163	110.6 Å²	110.6	76%	0.762	60%	0.598	S	S	*	*			trans	-72.9	93.7	170.2	-81.7	-173.3	7.4	0	0	109.7	T551 L555	T551-Q553 HydrophobicContact CG2-CG 4.14Å; Q553-L555 PolarHBondContact O-N 3.22Å
554	S	32.8	Very low	50.1	Low	102 Å²	102	115.3 Å²	115.3	71%	0.713	63%	0.628	S	S	*	*			trans	-68.4	117.3	157.2	85.4	0	0	0	0	108	T552 L556	T552-S554 PolarHBondContact O-N 3.31Å; S554-L556 PolarHBondContact O-N 3.48Å
555	L	31.2	Very low	47.2	Very low	165 Å²	165	116.5 Å²	116.5	86%	0.864	66%	0.656	S	S	*	*	S	Bend	trans	-67.2	72.2	174.8	-70.4	166.6	0	0	0	111.3	Q553	Q553-L555 PolarHBondContact O-N 3.22Å
556	L	32	Very low	44.5	Very low	160 Å²	160	120 Å²	120	84%	0.838	69%	0.69	S	S	*	*			trans	-142.6	105.8	163.6	-80.6	175.2	0	0	0	108.9	S554	S554-L556 PolarHBondContact O-N 3.48Å
557	G	29.7	Very low	42	Very low	80 Å²	80	124.5 Å²	124.5	83%	0.825	73%	0.727	S	S	*	*			trans	-60.4	146.6	-172	0	0	0	0	0	114.2
558	K	33.2	Very low	39.5	Very low	210 Å²	210	130.4 Å²	130.4	91%	0.913	76%	0.756	S	S	*	*			trans	-135.6	112.7	149.1	-108.8	173.3	-179.7	175.5	0	109.3
559	K	30.3	Very low	37.4	Very low	184 Å²	184	133.1 Å²	133.1	80%	0.8	78%	0.782	S	S	*	*			trans	-53.9	141	165.6	-88.3	172.9	172.6	172	0	110.7
560	R	31.5	Very low	35.5	Very low	230 Å²	230	134.4 Å²	134.4	87%	0.868	80%	0.797	S	S	*	*			trans	67.7	114	143.1	-66.6	175.3	177	-170.3	-3	117.8
561	S	33.9	Very low	34.8	Very low	108 Å²	108	134.5 Å²	134.5	76%	0.755	80%	0.798	S	S	*	*				-141.7	102.6	120.4	49.2	0	0	0	0	108	E563	S561-E563 PolarHBondContact O-N 3.47Å
562	A	34.7	Very low	34.5	Very low	98 Å²	98	137.4 Å²	137.4	81%	0.81	81%	0.808	S	S	*	*			trans	-75.5	106.6	161	0	0	0	0	0	105.9
563	E	34.1	Very low	34.7	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	81%	0.81	S	S	*	*			trans	-120.8	100.5	166.4	-89.2	-175.5	159.3	0	0	108.9	S561 G565	S561-E563 PolarHBondContact O-N 3.47Å; E563-G565 PolarHBondContact O-N 3.08Å
564	N	35.3	Very low	34.9	Very low	164 Å²	164	143.4 Å²	143.4	88%	0.877	84%	0.835	S	S	*	*			trans	-4.9	110.7	148.2	-64.1	-24.1	0	0	0	116
565	G	33.8	Very low	35	Very low	75 Å²	75	145.5 Å²	145.5	77%	0.773	84%	0.841	S	S	*	*			trans	-122.3	77.8	156.7	0	0	0	0	0	109.2	E563 A567	E563-G565 PolarHBondContact O-N 3.08Å; G565-A567 PolarHBondContact O-N 3.41Å; G565-A567 VanDerWaalsContact O-N 3.1Å
566	A	36.8	Very low	35.2	Very low	106 Å²	106	144.5 Å²	144.5	88%	0.876	84%	0.84	S	S	*	*			trans	-70.4	96.2	167.9	0	0	0	0	0	108.6
567	A	38.8	Very low	35.3	Very low	94 Å²	94	143.6 Å²	143.6	78%	0.777	84%	0.84	S	S	*	*			trans	-96.9	98.5	168	0	0	0	0	0	108.9	G565 S569	G565-A567 PolarHBondContact O-N 3.41Å; G565-A567 VanDerWaalsContact O-N 3.1Å; A567-S569 PolarHBondContact O-N 2.9Å
568	N	36.5	Very low	35.7	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	84%	0.841	S	S	*	*			trans	-44.2	123.3	160.3	-86.9	-28.4	0	0	0	110.5
569	S	39.5	Very low	35.8	Very low	118 Å²	118	143.4 Å²	143.4	83%	0.825	84%	0.837	S	S	*	*			trans	-133.6	86.4	153.1	-79.8	0	0	0	0	107.6	A567 C571	A567-S569 PolarHBondContact O-N 2.9Å; S569-C571 PolarHBondContact O-N 2.79Å
570	S	36.8	Very low	36.2	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	84%	0.839	S	S	*	*			trans	-54.7	114.9	156.5	-178.2	0	0	0	0	108
571	C	39.8	Very low	36.5	Very low	113 Å²	113	134.4 Å²	134.4	76%	0.764	84%	0.837	S	S	*	*			trans	-123.4	83.4	158.9	-155.3	0	0	0	0	107	S569	S569-C571 PolarHBondContact O-N 2.79Å
572	I	34.1	Very low	36.7	Very low	150 Å²	150	136.4 Å²	136.4	77%	0.769	84%	0.843	S	S	*	*			trans	-68.8	116.2	155.1	-67.4	167.8	0	0	0	105.7
573	L	40.2	Very low	36.9	Very low	154 Å²	154	139.6 Å²	139.6	81%	0.806	85%	0.846	S	S	*	*			trans	-152.6	134.9	154.1	-106.2	152.3	0	0	0	107.7
574	M	37.4	Very low	37.2	Very low	261 Å²	261	136.1 Å²	136.1	100%	1.286	85%	0.847	S	S	*	*			trans	-44.6	0	-166.5	-66	179.9	-168.7	0	0	116.3

Retrieved 574 of 574 residues in 463.4 ms (Link to these results)

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